#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbv s ASN 2 N 0.00 3.39 -0.49 3.17 2.47 -1.26 -5.06 114.94 117.16 3kbv s ASN 2 Ca 0.00 -0.40 0.07 0.00 0.42 0.00 0.00 52.86 52.94 3kbv s ASN 2 Cb 0.00 -0.75 0.38 0.00 -1.45 0.00 0.00 41.25 39.43 3kbv s ASN 2 CO 0.00 0.29 0.98 -1.22 -3.72 0.00 0.00 177.10 173.43 3kbv n TYR 3 N 2.66 3.28 -3.30 0.43 4.01 -1.26 -5.04 117.16 117.94 3kbv n TYR 3 Ca -0.17 -3.60 -0.39 0.00 -0.16 0.00 0.00 57.90 53.59 3kbv n TYR 3 Cb 0.52 -0.33 -0.07 0.00 -0.31 0.00 0.00 39.34 39.15 3kbv n TYR 3 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3kbv s GLN 4 N -3.38 4.21 0.47 -0.72 -0.44 -1.26 -4.65 119.66 113.90 3kbv s GLN 4 Ca 0.46 0.36 -0.19 0.00 -2.50 0.00 0.00 55.36 53.49 3kbv s GLN 4 Cb 0.34 -3.53 -0.09 0.00 -1.64 0.00 0.00 33.01 28.09 3kbv s GLN 4 CO -0.14 -0.06 0.98 -1.25 0.50 0.00 0.00 175.29 175.32 3kbv s PRO 5 N 1.34 4.04 0.15 1.67 0.04 -1.26 -5.07 135.00 135.90 3kbv s PRO 5 Ca 0.23 1.10 0.08 0.00 0.04 0.00 0.00 61.00 62.44 3kbv s PRO 5 Cb -0.15 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 3kbv s PRO 5 CO 0.09 -0.20 -0.17 0.95 0.04 0.00 0.00 177.00 177.72 3kbv s THR 6 N -2.31 1.64 0.57 1.26 -4.23 -1.26 -4.62 115.64 106.69 3kbv s THR 6 Ca 0.62 -1.84 0.37 0.00 -1.18 0.00 0.00 61.69 59.66 3kbv s THR 6 Cb -0.11 -1.73 0.54 0.00 1.34 0.00 0.00 72.50 72.55 3kbv s THR 6 CO 0.21 -0.34 1.67 -0.65 -0.54 0.00 0.00 174.62 174.97 3kbv h PRO 7 N 3.37 0.00 0.00 3.99 0.11 -1.77 0.77 132.00 138.47 3kbv h PRO 7 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3kbv h PRO 7 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kbv h PRO 7 CO 0.50 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.68 3kbv n GLU 8 N -3.86 0.15 0.00 1.05 1.02 -1.26 -1.91 120.64 115.83 3kbv n GLU 8 Ca 0.27 0.52 0.14 0.00 -0.02 0.00 0.00 57.16 58.07 3kbv n GLU 8 Cb 1.39 -1.88 0.63 0.00 -0.02 0.00 0.00 31.44 31.57 3kbv n GLU 8 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3kbv n ASP 9 N -2.18 0.13 -2.35 1.62 8.00 0.27 -4.92 116.55 117.12 3kbv n ASP 9 Ca 0.00 0.01 -0.17 0.00 0.71 0.00 0.00 54.79 55.34 3kbv n ASP 9 Cb 0.13 -0.28 0.03 0.00 -0.02 0.00 0.00 41.12 40.98 3kbv n ASP 9 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kbv n ARG 10 N -1.33 -3.70 -2.71 -1.24 5.12 -0.80 -4.66 116.66 107.34 3kbv n ARG 10 Ca 0.11 0.71 -0.42 0.00 -1.93 0.00 0.00 57.85 56.31 3kbv n ARG 10 Cb 0.29 -5.13 -0.03 0.00 -1.16 0.00 0.00 32.46 26.43 3kbv n ARG 10 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3kbv s PHE 11 N -3.02 3.67 0.14 -1.55 0.08 -1.26 -1.15 117.98 114.88 3kbv s PHE 11 Ca 0.23 1.70 0.05 0.00 0.12 0.00 0.00 56.93 59.02 3kbv s PHE 11 Cb -0.10 -3.11 -0.04 0.00 -0.57 0.00 0.00 43.02 39.19 3kbv s PHE 11 CO 0.28 -0.00 -0.11 0.95 -0.10 0.00 0.00 175.22 176.24 3kbv s THR 12 N 0.97 1.18 -0.01 0.64 -4.23 -0.15 -0.32 115.64 113.72 3kbv s THR 12 Ca 0.52 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.01 3kbv s THR 12 Cb -0.21 -1.79 -0.00 0.00 1.34 0.00 0.00 72.50 71.84 3kbv s THR 12 CO 0.28 -0.70 0.03 -0.36 -0.54 0.00 0.00 174.62 173.33 3kbv s PHE 13 N -3.15 0.02 0.42 3.99 0.40 -1.04 -0.49 117.98 118.12 3kbv s PHE 13 Ca 0.15 -0.02 -0.23 0.00 -0.60 0.00 0.00 56.93 56.24 3kbv s PHE 13 Cb 0.01 -0.02 -0.09 0.00 0.51 0.00 0.00 43.02 43.42 3kbv s PHE 13 CO 0.01 -0.07 1.01 0.20 0.70 0.00 0.00 175.22 177.07 3kbv s GLY 14 N -0.32 2.60 0.41 4.36 0.00 -1.23 -1.42 107.32 111.72 3kbv s GLY 14 Ca -0.04 0.57 0.13 0.00 0.00 0.00 0.00 44.72 45.38 3kbv s GLY 14 CO -0.00 0.94 1.93 1.41 0.00 0.00 0.00 173.10 177.38 3kbv h LEU 15 N 2.20 0.47 0.00 0.66 3.38 -1.59 -1.05 115.31 119.37 3kbv h LEU 15 Ca -0.49 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3kbv h LEU 15 Cb 1.20 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3kbv h LEU 15 CO 0.61 0.26 0.00 -2.67 0.09 0.00 0.00 178.44 176.73 3kbv n TRP 16 N -4.49 0.00 -0.01 1.13 2.14 -1.26 -2.23 117.44 112.72 3kbv n TRP 16 Ca 0.13 0.00 -0.00 0.00 2.07 0.00 0.00 57.50 59.70 3kbv n TRP 16 Cb 0.44 -0.42 -0.00 0.00 -0.81 0.00 0.00 31.31 30.52 3kbv n TRP 16 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 3kbv h THR 17 N 0.00 0.00 0.00 -1.67 1.35 -1.40 -3.02 112.91 108.18 3kbv h THR 17 Ca 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 3kbv h THR 17 Cb 0.28 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.70 3kbv h THR 17 CO 0.00 0.00 0.00 -0.37 -0.25 0.00 0.00 175.52 174.90 3kbv h VAL 18 N -0.14 0.00 -0.28 6.82 -1.51 -1.72 -1.95 116.25 117.47 3kbv h VAL 18 Ca 0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 3kbv h VAL 18 Cb 0.04 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 3kbv h VAL 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3kbv n GLY 19 N -0.56 0.68 3.68 5.19 0.00 -0.94 -4.90 105.19 108.33 3kbv n GLY 19 Ca -0.01 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 3kbv n GLY 19 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kbv s TRP 20 N -1.63 2.48 -1.50 1.61 -0.00 -0.73 -4.66 118.94 114.51 3kbv s TRP 20 Ca 0.31 0.46 0.29 0.00 -0.00 0.00 0.00 56.10 57.17 3kbv s TRP 20 Cb 0.17 -3.85 1.34 0.00 -0.00 0.00 0.00 33.47 31.13 3kbv s TRP 20 CO 0.24 -3.38 1.94 1.04 -0.00 0.00 0.00 176.95 176.79 3kbv n GLN 21 N 5.83 0.52 -0.20 5.86 6.02 -1.26 -4.90 117.38 129.24 3kbv n GLN 21 Ca 0.15 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3kbv n GLN 21 Cb 0.42 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.18 3kbv n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kbv n GLY 22 N 1.30 0.89 3.70 1.08 0.00 -1.26 -1.02 105.19 109.87 3kbv n GLY 22 Ca 0.14 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3kbv n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kbv s ARG 23 N -0.63 4.38 0.36 1.61 3.52 -1.26 -4.34 118.95 122.59 3kbv s ARG 23 Ca 0.00 1.72 0.03 0.00 -0.13 0.00 0.00 55.73 57.35 3kbv s ARG 23 Cb 0.00 -3.49 -0.01 0.00 -1.56 0.00 0.00 34.95 29.89 3kbv s ARG 23 CO 0.00 -0.38 0.11 -0.40 -0.81 0.00 0.00 175.30 173.82 3kbv n ASP 24 N 4.75 1.43 0.08 -2.12 5.68 -0.84 -4.98 116.55 120.56 3kbv n ASP 24 Ca 0.10 -2.87 0.11 0.00 -0.50 0.00 0.00 54.79 51.63 3kbv n ASP 24 Cb 0.46 0.82 0.44 0.00 -1.14 0.00 0.00 41.12 41.70 3kbv n ASP 24 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 3kbv n PRO 25 N -0.83 0.14 -0.14 0.11 -0.04 -1.26 -2.51 135.00 130.47 3kbv n PRO 25 Ca -0.07 0.30 0.04 0.00 -0.04 0.00 0.00 63.50 63.73 3kbv n PRO 25 Cb 0.53 -1.72 0.12 0.00 -0.04 0.00 0.00 33.50 32.39 3kbv n PRO 25 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3kbv n PHE 26 N -1.97 0.36 -3.54 0.54 3.72 -1.26 -5.06 117.46 110.24 3kbv n PHE 26 Ca 0.04 -0.49 -0.10 0.00 -0.05 0.00 0.00 57.45 56.86 3kbv n PHE 26 Cb 0.26 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.75 3kbv n PHE 26 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3kbv s GLY 27 N -0.99 -0.46 0.84 1.37 0.00 -1.04 -5.16 107.32 101.86 3kbv s GLY 27 Ca 0.18 0.48 -0.12 0.00 0.00 0.00 0.00 44.72 45.26 3kbv s GLY 27 CO 0.13 0.15 1.10 0.99 0.00 0.00 0.00 173.10 175.48 3kbv s ASP 28 N -2.72 4.12 0.48 1.64 1.01 -1.26 -1.98 116.67 117.96 3kbv s ASP 28 Ca 0.05 1.25 -0.24 0.00 0.71 0.00 0.00 52.55 54.31 3kbv s ASP 28 Cb -0.02 -1.94 -0.07 0.00 1.01 0.00 0.00 42.92 41.90 3kbv s ASP 28 CO -0.08 -2.20 1.41 0.00 0.21 0.00 0.00 175.17 174.52 3kbv s ALA 29 N -3.15 3.11 -1.03 5.23 0.00 -1.26 -4.35 121.76 120.31 3kbv s ALA 29 Ca 0.62 1.43 0.10 0.00 0.00 0.00 0.00 51.96 54.10 3kbv s ALA 29 Cb -0.15 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.41 3kbv s ALA 29 CO 0.54 -1.25 0.69 0.25 0.00 0.00 0.00 175.76 176.00 3kbv n THR 30 N -0.44 0.00 -4.14 0.00 -2.24 -0.19 -4.92 114.28 102.35 3kbv n THR 30 Ca 0.07 -0.43 -0.16 0.00 -2.27 0.00 0.00 64.05 61.26 3kbv n THR 30 Cb 0.43 1.15 -0.12 0.00 -2.10 0.00 0.00 70.33 69.68 3kbv n THR 30 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kbv s ARG 31 N -1.16 0.64 0.81 -0.78 0.52 -0.90 -4.99 118.95 113.10 3kbv s ARG 31 Ca 0.09 -0.73 -0.11 0.00 -0.52 0.00 0.00 55.73 54.46 3kbv s ARG 31 Cb 0.08 -0.52 0.08 0.00 0.52 0.00 0.00 34.95 35.11 3kbv s ARG 31 CO 0.20 0.12 1.09 -0.98 0.02 0.00 0.00 175.30 175.75 3kbv s ARG 32 N -1.36 1.94 0.57 3.54 1.70 -1.26 -4.72 118.95 119.35 3kbv s ARG 32 Ca -0.05 0.97 -0.19 0.00 -0.47 0.00 0.00 55.73 55.99 3kbv s ARG 32 Cb -0.09 -1.88 -0.05 0.00 -0.57 0.00 0.00 34.95 32.37 3kbv s ARG 32 CO 0.01 -1.81 1.17 0.00 -1.08 0.00 0.00 175.30 173.59 3kbv s ALA 33 N -2.95 2.63 -0.16 7.88 0.00 -1.26 -4.86 121.76 123.03 3kbv s ALA 33 Ca 0.62 0.93 -0.08 0.00 0.00 0.00 0.00 51.96 53.43 3kbv s ALA 33 Cb -0.17 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 3kbv s ALA 33 CO 0.56 -0.97 0.11 -0.51 0.00 0.00 0.00 175.76 174.95 3kbv s LEU 34 N -3.91 4.17 0.04 0.00 1.43 -1.26 -5.08 118.68 114.07 3kbv s LEU 34 Ca 0.75 0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 53.84 3kbv s LEU 34 Cb -0.28 -2.04 -0.07 0.00 0.03 0.00 0.00 46.19 43.84 3kbv s LEU 34 CO 0.30 0.28 1.45 -0.62 0.23 0.00 0.00 176.35 178.00 3kbv s ASP 35 N -0.26 6.79 0.40 2.29 2.15 -1.26 -4.91 116.67 121.87 3kbv s ASP 35 Ca 0.10 2.24 0.16 0.00 0.43 0.00 0.00 52.55 55.49 3kbv s ASP 35 Cb -0.12 -2.57 1.04 0.00 -0.30 0.00 0.00 42.92 40.98 3kbv s ASP 35 CO 0.01 -0.74 1.82 -0.65 -0.17 0.00 0.00 175.17 175.44 3kbv h PRO 36 N 7.67 0.44 -0.67 4.34 0.11 -1.98 0.31 132.00 142.23 3kbv h PRO 36 Ca -0.40 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 3kbv h PRO 36 Cb 1.19 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3kbv h PRO 36 CO 0.90 0.29 0.27 0.28 -0.21 0.00 0.00 178.00 179.53 3kbv h VAL 37 N 0.46 1.23 -0.45 3.15 2.07 -1.92 -0.80 116.25 119.99 3kbv h VAL 37 Ca 0.53 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 3kbv h VAL 37 Cb 1.25 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3kbv h VAL 37 CO -0.24 0.29 0.14 -0.08 0.02 0.00 0.00 177.57 177.70 3kbv h GLU 38 N 0.97 0.70 -0.44 1.57 4.81 -0.79 -2.08 114.58 119.32 3kbv h GLU 38 Ca 0.23 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3kbv h GLU 38 Cb 0.19 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3kbv h GLU 38 CO -0.02 0.67 0.13 0.77 -0.73 0.00 0.00 179.01 179.83 3kbv h SER 39 N 0.59 0.65 -0.43 1.04 0.02 -1.03 -0.82 113.55 113.57 3kbv h SER 39 Ca 0.14 -0.22 0.02 0.00 -0.84 0.00 0.00 61.79 60.90 3kbv h SER 39 Cb 0.26 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 3kbv h SER 39 CO -0.00 0.70 0.26 0.58 -1.14 0.00 0.00 176.83 177.22 3kbv h VAL 40 N 0.58 1.06 -0.31 2.27 2.07 -0.96 0.31 116.25 121.26 3kbv h VAL 40 Ca 0.14 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3kbv h VAL 40 Cb 0.29 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3kbv h VAL 40 CO -0.00 0.10 0.12 0.03 0.02 0.00 0.00 177.57 177.84 3kbv h ARG 41 N 0.52 0.46 -0.58 1.57 3.08 -1.22 -0.89 114.38 117.32 3kbv h ARG 41 Ca 0.17 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 3kbv h ARG 41 Cb -0.00 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3kbv h ARG 41 CO -0.07 0.47 0.10 0.00 -1.07 0.00 0.00 179.97 179.40 3kbv h ARG 42 N 0.35 0.96 -0.53 0.04 2.47 -0.85 -2.08 114.38 114.74 3kbv h ARG 42 Ca 0.10 -0.25 -0.07 0.00 -1.26 0.00 0.00 59.98 58.49 3kbv h ARG 42 Cb 0.18 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 3kbv h ARG 42 CO -0.01 0.91 0.03 -0.07 0.56 0.00 0.00 179.97 181.39 3kbv h LEU 43 N 0.86 0.85 -0.81 3.04 3.38 -0.87 -2.47 115.31 119.29 3kbv h LEU 43 Ca 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3kbv h LEU 43 Cb 0.41 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3kbv h LEU 43 CO 0.01 0.89 0.47 0.00 0.09 0.00 0.00 178.44 179.90 3kbv h ALA 44 N 1.20 1.04 0.00 1.53 0.00 -0.82 -1.65 119.26 120.56 3kbv h ALA 44 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kbv h ALA 44 Cb 0.45 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kbv h ALA 44 CO 0.02 0.53 -0.11 0.93 0.00 0.00 0.00 179.25 180.61 3kbv h GLU 45 N 1.12 0.00 0.00 0.00 5.08 -0.95 -2.07 114.58 117.76 3kbv h GLU 45 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3kbv h GLU 45 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kbv h GLU 45 CO -0.05 0.11 0.00 1.28 -1.00 0.00 0.00 179.01 179.35 3kbv n LEU 46 N -3.91 0.76 0.00 1.33 4.77 -0.67 -4.90 117.00 114.38 3kbv n LEU 46 Ca -0.02 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 3kbv n LEU 46 Cb 0.21 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3kbv n LEU 46 CO 0.32 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 3kbv n GLY 47 N 1.28 1.17 3.76 -0.72 0.00 -0.78 -4.68 105.19 105.23 3kbv n GLY 47 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3kbv n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbv s ALA 48 N -2.00 2.61 0.03 4.61 0.00 -0.89 -2.99 121.76 123.13 3kbv s ALA 48 Ca 0.00 0.88 -0.01 0.00 0.00 0.00 0.00 51.96 52.83 3kbv s ALA 48 Cb 0.00 -3.40 -0.27 0.00 0.00 0.00 0.00 23.12 19.46 3kbv s ALA 48 CO 0.00 -0.99 0.96 1.25 0.00 0.00 0.00 175.76 176.98 3kbv h HIS 49 N 0.96 0.37 -1.88 0.00 -0.00 -0.91 -3.42 115.15 110.27 3kbv h HIS 49 Ca -0.50 -0.27 0.13 0.00 -0.00 0.00 0.00 60.37 59.73 3kbv h HIS 49 Cb 1.28 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 28.65 3kbv h HIS 49 CO 0.50 1.28 0.39 0.41 -0.00 0.00 0.00 177.93 180.51 3kbv n GLY 50 N 1.59 0.68 3.26 5.26 0.00 -1.15 -1.96 105.19 112.86 3kbv n GLY 50 Ca -0.13 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 3kbv n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kbv s VAL 51 N -2.20 1.02 0.27 1.61 -7.23 -0.45 -2.48 120.40 110.93 3kbv s VAL 51 Ca 0.14 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 58.33 3kbv s VAL 51 Cb -0.01 -2.00 -0.06 0.00 0.56 0.00 0.00 36.38 34.88 3kbv s VAL 51 CO 0.01 -0.61 -0.03 0.42 -0.31 0.00 0.00 175.10 174.58 3kbv s THR 52 N -3.43 1.40 0.02 5.32 -4.23 -0.51 -3.99 115.64 110.22 3kbv s THR 52 Ca 0.20 -2.08 -0.17 0.00 -1.18 0.00 0.00 61.69 58.46 3kbv s THR 52 Cb 0.04 -2.45 0.03 0.00 1.34 0.00 0.00 72.50 71.47 3kbv s THR 52 CO 0.03 -0.28 0.38 0.72 -0.54 0.00 0.00 174.62 174.92 3kbv s PHE 53 N -3.17 -0.24 0.27 3.99 -0.71 -1.25 -1.32 117.98 115.55 3kbv s PHE 53 Ca 0.30 0.25 -0.16 0.00 -1.04 0.00 0.00 56.93 56.28 3kbv s PHE 53 Cb 0.05 0.17 -0.08 0.00 -1.21 0.00 0.00 43.02 41.95 3kbv s PHE 53 CO 0.11 -0.51 0.70 -1.01 -1.34 0.00 0.00 175.22 173.17 3kbv s HIS 54 N -2.06 3.49 0.24 3.49 3.76 -1.26 -1.48 115.29 121.47 3kbv s HIS 54 Ca -0.08 1.23 -0.14 0.00 -0.15 0.00 0.00 55.06 55.91 3kbv s HIS 54 Cb -0.02 -2.52 0.30 0.00 1.11 0.00 0.00 32.58 31.45 3kbv s HIS 54 CO 0.00 0.22 1.57 0.38 -0.85 0.00 0.00 174.74 176.06 3kbv h ASP 55 N 2.77 -1.10 0.68 1.40 2.03 -1.81 0.13 116.42 120.53 3kbv h ASP 55 Ca -0.48 0.28 0.00 0.00 -0.73 0.00 0.00 57.03 56.10 3kbv h ASP 55 Cb 1.18 0.63 0.00 0.00 -0.83 0.00 0.00 39.33 40.31 3kbv h ASP 55 CO 0.66 -0.30 0.00 0.47 -1.03 0.00 0.00 179.24 179.04 3kbv n ASP 56 N -5.52 0.18 0.12 4.15 8.00 -1.26 -1.34 116.55 120.89 3kbv n ASP 56 Ca 0.11 0.54 -0.01 0.00 0.71 0.00 0.00 54.79 56.13 3kbv n ASP 56 Cb 0.42 -0.58 0.10 0.00 -0.02 0.00 0.00 41.12 41.04 3kbv n ASP 56 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3kbv h ASP 57 N 0.00 0.00 0.01 -2.24 3.32 -1.13 -3.38 116.42 113.00 3kbv h ASP 57 Ca 0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 3kbv h ASP 57 Cb 0.34 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.83 3kbv h ASP 57 CO 0.00 0.68 -2.46 -0.11 -1.72 0.00 0.00 179.24 175.62 3kbv n LEU 58 N -3.55 2.78 -4.10 1.55 7.94 -0.78 -4.82 117.00 116.03 3kbv n LEU 58 Ca -0.00 -0.04 -0.33 0.00 -1.11 0.00 0.00 56.01 54.53 3kbv n LEU 58 Cb 0.71 -0.90 -0.15 0.00 0.53 0.00 0.00 43.42 43.61 3kbv n LEU 58 CO 0.42 0.87 -0.43 -0.63 -1.11 0.00 0.00 177.39 176.51 3kbv s ILE 59 N -2.52 2.38 0.30 1.96 1.01 -0.45 -4.86 121.20 119.02 3kbv s ILE 59 Ca -0.35 -1.58 -0.29 0.00 0.00 0.00 0.00 60.65 58.43 3kbv s ILE 59 Cb 0.10 -2.39 -0.13 0.00 0.01 0.00 0.00 42.46 40.05 3kbv s ILE 59 CO 0.59 -0.05 1.29 -2.65 0.00 0.00 0.00 174.94 174.11 3kbv n PRO 60 N 4.48 1.97 -1.57 2.79 -0.02 -1.26 -4.21 135.00 137.17 3kbv n PRO 60 Ca -0.14 0.70 -0.49 0.00 -2.02 0.00 0.00 63.50 61.54 3kbv n PRO 60 Cb 0.42 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 3kbv n PRO 60 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kbv n PHE 61 N 0.86 1.27 -0.72 6.00 -0.00 -1.26 -1.96 117.46 121.64 3kbv n PHE 61 Ca 0.08 0.69 0.00 0.00 -0.00 0.00 0.00 57.45 58.22 3kbv n PHE 61 Cb 0.34 -2.27 0.00 0.00 -0.00 0.00 0.00 39.48 37.54 3kbv n PHE 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3kbv n GLY 62 N 2.06 0.65 3.77 7.13 0.00 -1.26 -5.03 105.19 112.50 3kbv n GLY 62 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3kbv n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kbv s SER 63 N -2.02 6.24 0.72 1.61 0.01 -0.83 -5.00 113.70 114.43 3kbv s SER 63 Ca 0.00 2.85 -0.13 0.00 1.31 0.00 0.00 55.95 59.97 3kbv s SER 63 Cb 0.00 -2.65 0.03 0.00 0.21 0.00 0.00 66.02 63.61 3kbv s SER 63 CO 0.00 -0.92 1.12 -0.94 0.41 0.00 0.00 173.24 172.91 3kbv s SER 64 N -0.48 4.61 0.56 2.44 1.04 -1.26 -4.80 113.70 115.81 3kbv s SER 64 Ca 0.56 2.02 0.26 0.00 0.48 0.00 0.00 55.95 59.27 3kbv s SER 64 Cb -0.42 -2.55 1.51 0.00 0.10 0.00 0.00 66.02 64.66 3kbv s SER 64 CO 0.55 -1.97 2.04 0.44 0.98 0.00 0.00 173.24 175.28 3kbv h ASP 65 N -0.52 0.00 0.28 7.02 3.32 -2.00 -0.98 116.42 123.55 3kbv h ASP 65 Ca -0.46 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.26 3kbv h ASP 65 Cb 1.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 3kbv h ASP 65 CO 0.52 0.00 -1.83 0.77 -1.72 0.00 0.00 179.24 176.97 3kbv h SER 66 N 0.00 0.30 -0.58 6.45 4.64 -2.00 -2.83 113.55 119.54 3kbv h SER 66 Ca 0.15 -0.62 -0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3kbv h SER 66 Cb 0.72 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.68 3kbv h SER 66 CO -0.00 1.55 0.36 -0.33 -0.87 0.00 0.00 176.83 177.54 3kbv h GLU 67 N 0.05 0.78 0.24 4.77 5.08 -1.71 -1.91 114.58 121.89 3kbv h GLU 67 Ca -0.35 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3kbv h GLU 67 Cb 2.03 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 31.07 3kbv h GLU 67 CO 0.10 0.54 -0.48 -0.09 -1.00 0.00 0.00 179.01 178.08 3kbv h ARG 68 N 0.80 -0.76 -0.86 2.33 2.43 -1.26 -1.48 114.38 115.59 3kbv h ARG 68 Ca 0.21 0.05 0.21 0.00 -0.81 0.00 0.00 59.98 59.64 3kbv h ARG 68 Cb -0.05 0.17 -0.12 0.00 -0.42 0.00 0.00 29.97 29.55 3kbv h ARG 68 CO -0.04 -0.51 0.32 1.49 -1.51 0.00 0.00 179.97 179.72 3kbv h GLU 69 N -0.79 0.33 -0.46 0.20 4.81 -1.22 -0.89 114.58 116.56 3kbv h GLU 69 Ca -0.03 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 3kbv h GLU 69 Cb 0.74 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 3kbv h GLU 69 CO -0.19 0.22 0.03 0.93 -0.73 0.00 0.00 179.01 179.27 3kbv h GLU 70 N 0.34 0.78 -0.70 1.92 5.08 -0.90 -1.33 114.58 119.78 3kbv h GLU 70 Ca 0.52 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.58 3kbv h GLU 70 Cb 0.98 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 3kbv h GLU 70 CO -0.54 0.83 0.16 0.45 -1.00 0.00 0.00 179.01 178.90 3kbv h HIS 71 N 0.64 1.19 -0.46 4.33 3.86 -0.16 -2.53 115.15 122.01 3kbv h HIS 71 Ca 0.13 -0.15 -0.11 0.00 -1.16 0.00 0.00 60.37 59.09 3kbv h HIS 71 Cb 0.45 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 3kbv h HIS 71 CO 0.03 0.97 -0.13 0.28 0.86 0.00 0.00 177.93 179.94 3kbv h VAL 72 N 1.07 1.27 -0.53 2.45 2.07 -1.11 -2.51 116.25 118.95 3kbv h VAL 72 Ca 0.22 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 3kbv h VAL 72 Cb 0.39 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3kbv h VAL 72 CO 0.01 0.43 0.19 0.50 0.02 0.00 0.00 177.57 178.72 3kbv h LYS 73 N 0.74 0.81 -0.90 1.57 3.64 -0.99 0.54 116.57 121.98 3kbv h LYS 73 Ca 0.11 -0.16 0.09 0.00 -1.27 0.00 0.00 60.65 59.42 3kbv h LYS 73 Cb 0.69 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.31 3kbv h LYS 73 CO 0.05 0.73 0.55 0.00 -2.27 0.00 0.00 179.45 178.51 3kbv h ARG 74 N 0.72 0.91 -0.09 1.90 3.08 -1.45 -1.32 114.38 118.14 3kbv h ARG 74 Ca 0.17 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3kbv h ARG 74 Cb 0.24 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3kbv h ARG 74 CO -0.01 0.61 -0.00 0.35 -1.07 0.00 0.00 179.97 179.84 3kbv h PHE 75 N 0.94 0.17 -0.80 3.04 3.57 -0.90 -2.07 116.94 120.90 3kbv h PHE 75 Ca 0.42 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.93 3kbv h PHE 75 Cb 0.30 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 3kbv h PHE 75 CO -0.03 0.43 0.52 -0.09 -2.23 0.00 0.00 178.31 176.91 3kbv h ARG 76 N -0.13 0.90 -0.50 1.11 9.65 -0.68 -0.61 114.38 124.11 3kbv h ARG 76 Ca 0.02 -0.05 -0.10 0.00 -1.10 0.00 0.00 59.98 58.75 3kbv h ARG 76 Cb 0.37 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.72 3kbv h ARG 76 CO 0.01 0.59 -0.09 0.37 2.80 0.00 0.00 179.97 183.65 3kbv h GLN 77 N 0.92 0.91 -0.23 0.20 5.75 -1.07 0.73 115.11 122.32 3kbv h GLN 77 Ca 0.33 -0.31 -0.06 0.00 -0.15 0.00 0.00 58.65 58.46 3kbv h GLN 77 Cb 0.14 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 3kbv h GLN 77 CO -0.11 0.96 -0.13 0.00 -2.65 0.00 0.00 178.83 176.90 3kbv h ALA 78 N 1.07 1.36 -0.45 3.38 0.00 -0.56 0.60 119.26 124.66 3kbv h ALA 78 Ca 0.14 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 3kbv h ALA 78 Cb 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3kbv h ALA 78 CO 0.04 0.44 -0.26 -0.07 0.00 0.00 0.00 179.25 179.39 3kbv h LEU 79 N 0.35 0.99 -0.72 0.00 3.38 -0.60 -2.33 115.31 116.38 3kbv h LEU 79 Ca 0.07 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 3kbv h LEU 79 Cb 0.44 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3kbv h LEU 79 CO 0.03 1.19 -0.08 0.44 0.09 0.00 0.00 178.44 180.10 3kbv h ASP 80 N 0.82 0.88 0.36 -0.43 3.32 -0.27 0.40 116.42 121.49 3kbv h ASP 80 Ca 0.10 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 3kbv h ASP 80 Cb 0.84 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3kbv h ASP 80 CO 0.07 0.99 -0.27 0.44 -1.72 0.00 0.00 179.24 178.75 3kbv h ASP 81 N 0.80 0.00 0.00 6.45 3.32 -0.83 -3.31 116.42 122.86 3kbv h ASP 81 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3kbv h ASP 81 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3kbv h ASP 81 CO 0.04 0.27 -0.96 0.35 -1.72 0.00 0.00 179.24 177.21 3kbv n THR 82 N -4.02 0.00 -0.78 0.35 -2.24 -0.88 -4.99 114.28 101.72 3kbv n THR 82 Ca -0.02 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3kbv n THR 82 Cb 0.34 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 3kbv n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kbv n GLY 83 N 1.66 0.72 3.77 3.38 0.00 0.11 -5.03 105.19 109.80 3kbv n GLY 83 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3kbv n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kbv s MET 84 N -0.22 4.21 0.37 1.61 -1.94 -1.16 -4.97 119.30 117.19 3kbv s MET 84 Ca 0.00 1.67 0.08 0.00 -1.71 0.00 0.00 55.69 55.72 3kbv s MET 84 Cb 0.00 -2.70 -0.02 0.00 2.01 0.00 0.00 34.83 34.12 3kbv s MET 84 CO 0.00 -0.14 0.37 0.15 -0.01 0.00 0.00 175.02 175.39 3kbv s LYS 85 N -2.25 2.69 -0.54 2.03 -0.14 -0.83 -4.81 119.74 115.90 3kbv s LYS 85 Ca 0.55 -1.36 0.04 0.00 -1.36 0.00 0.00 55.97 53.84 3kbv s LYS 85 Cb -0.27 -2.50 0.15 0.00 -1.68 0.00 0.00 37.83 33.54 3kbv s LYS 85 CO 0.33 -0.05 0.35 0.08 -0.76 0.00 0.00 175.35 175.30 3kbv s VAL 86 N -2.36 1.84 -0.54 3.17 1.01 -1.26 -1.35 120.40 120.90 3kbv s VAL 86 Ca 0.45 -3.26 0.24 0.00 0.00 0.00 0.00 61.98 59.42 3kbv s VAL 86 Cb -0.06 -2.25 0.32 0.00 0.00 0.00 0.00 36.38 34.40 3kbv s VAL 86 CO 0.28 -0.99 1.67 -0.65 0.00 0.00 0.00 175.10 175.40 3kbv h PRO 87 N 6.02 0.00 -3.39 2.72 0.11 -1.84 -2.82 132.00 132.80 3kbv h PRO 87 Ca 0.09 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.06 3kbv h PRO 87 Cb 0.86 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 31.76 3kbv h PRO 87 CO 0.56 0.00 -0.45 1.41 -0.21 0.00 0.00 178.00 179.32 3kbv s MET 88 N -3.17 0.48 0.17 1.05 -2.45 -1.26 -1.26 119.30 112.85 3kbv s MET 88 Ca 0.08 -0.26 -0.01 0.00 -1.25 0.00 0.00 55.69 54.24 3kbv s MET 88 Cb 0.08 0.21 -0.04 0.00 1.25 0.00 0.00 34.83 36.32 3kbv s MET 88 CO 0.64 -0.12 0.11 0.00 1.05 0.00 0.00 175.02 176.71 3kbv s ALA 89 N -1.16 0.96 0.31 4.11 0.00 -0.94 -3.76 121.76 121.28 3kbv s ALA 89 Ca -0.12 -1.55 -0.12 0.00 0.00 0.00 0.00 51.96 50.16 3kbv s ALA 89 Cb -0.06 1.13 0.02 0.00 0.00 0.00 0.00 23.12 24.20 3kbv s ALA 89 CO 0.02 -0.55 0.59 -0.08 0.00 0.00 0.00 175.76 175.74 3kbv s THR 90 N -4.10 0.00 -0.06 0.00 -1.32 -0.55 -0.63 115.64 108.99 3kbv s THR 90 Ca 0.31 -1.30 0.02 0.00 -1.21 0.00 0.00 61.69 59.52 3kbv s THR 90 Cb 0.07 -2.46 -0.03 0.00 -1.51 0.00 0.00 72.50 68.57 3kbv s THR 90 CO 0.07 0.00 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.49 3kbv s THR 91 N -3.32 3.43 -0.58 5.08 2.01 -1.26 -2.32 115.64 118.68 3kbv s THR 91 Ca 0.21 -0.59 -0.23 0.00 0.31 0.00 0.00 61.69 61.39 3kbv s THR 91 Cb -0.03 -2.38 0.05 0.00 0.01 0.00 0.00 72.50 70.16 3kbv s THR 91 CO 0.12 0.59 0.93 0.21 -0.69 0.00 0.00 174.62 175.79 3kbv s ASN 92 N -0.79 6.28 -0.37 3.53 3.84 -1.26 -4.83 114.94 121.34 3kbv s ASN 92 Ca 0.12 -0.58 0.05 0.00 0.21 0.00 0.00 52.86 52.66 3kbv s ASN 92 Cb -0.11 -2.42 0.46 0.00 -0.55 0.00 0.00 41.25 38.63 3kbv s ASN 92 CO 0.01 -1.28 1.41 0.18 -2.79 0.00 0.00 177.10 174.63 3kbv n LEU 93 N 7.48 5.38 0.00 3.21 4.77 -1.26 -4.70 117.00 131.87 3kbv n LEU 93 Ca -0.00 -4.52 0.00 0.00 -0.03 0.00 0.00 56.01 51.46 3kbv n LEU 93 Cb 0.47 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3kbv n LEU 93 CO 0.63 1.86 0.00 2.22 -1.33 0.00 0.00 177.39 180.77 3kbv n PHE 94 N -0.82 0.00 -0.02 -1.77 1.16 -1.26 -4.48 117.46 110.27 3kbv n PHE 94 Ca 0.46 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.88 3kbv n PHE 94 Cb 0.90 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.63 3kbv n PHE 94 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 3kbv h THR 95 N 0.00 1.68 -3.73 1.97 2.02 -1.94 -3.46 112.91 109.45 3kbv h THR 95 Ca 0.00 -2.40 -0.53 0.00 0.77 0.00 0.00 66.41 64.25 3kbv h THR 95 Cb 0.00 3.30 0.08 0.00 -1.74 0.00 0.00 68.15 69.79 3kbv h THR 95 CO 0.00 0.65 0.74 -2.28 0.37 0.00 0.00 175.52 175.00 3kbv s HIS 96 N -2.34 2.85 0.59 3.16 2.46 -1.26 -4.87 115.29 115.87 3kbv s HIS 96 Ca -0.17 1.17 0.29 0.00 0.47 0.00 0.00 55.06 56.82 3kbv s HIS 96 Cb -0.01 -3.87 1.43 0.00 -0.13 0.00 0.00 32.58 29.99 3kbv s HIS 96 CO 0.75 -2.63 1.84 -1.35 -2.47 0.00 0.00 174.74 170.88 3kbv h PRO 97 N 3.77 0.00 0.00 2.88 0.11 -2.02 -0.30 132.00 136.43 3kbv h PRO 97 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kbv h PRO 97 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kbv h PRO 97 CO 0.69 0.00 -0.00 -0.24 -0.21 0.00 0.00 178.00 178.24 3kbv h VAL 98 N 0.00 0.01 -0.39 3.15 3.04 -1.96 -1.85 116.25 118.25 3kbv h VAL 98 Ca 0.25 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 3kbv h VAL 98 Cb 1.37 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 3kbv h VAL 98 CO -0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.05 3kbv n PHE 99 N -3.10 1.21 0.31 3.17 3.72 -0.12 -4.56 117.46 118.10 3kbv n PHE 99 Ca -0.01 -0.44 0.19 0.00 -0.05 0.00 0.00 57.45 57.14 3kbv n PHE 99 Cb 0.19 -0.30 1.01 0.00 -0.94 0.00 0.00 39.48 39.44 3kbv n PHE 99 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3kbv h LYS 100 N 2.59 0.00 -0.27 -1.08 2.10 -1.48 0.12 116.57 118.54 3kbv h LYS 100 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kbv h LYS 100 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 3kbv h LYS 100 CO 0.26 0.02 0.00 -3.47 -2.00 0.00 0.00 179.45 174.26 3kbv n ASP 101 N -3.32 3.33 0.00 7.07 2.03 -1.26 -5.03 116.55 119.37 3kbv n ASP 101 Ca -0.02 -2.56 0.00 0.00 0.52 0.00 0.00 54.79 52.73 3kbv n ASP 101 Cb 0.13 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 3kbv n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kbv n GLY 102 N -0.14 1.89 0.25 0.27 0.00 0.03 -3.72 105.19 103.77 3kbv n GLY 102 Ca 0.16 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3kbv n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbv n GLY 103 N -0.96 -0.10 0.23 -0.02 0.00 -1.26 -4.29 105.19 98.78 3kbv n GLY 103 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3kbv n GLY 103 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kbv h PHE 104 N 0.00 0.00 0.00 1.61 0.04 -1.90 -3.14 116.94 113.55 3kbv h PHE 104 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kbv h PHE 104 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 3kbv h PHE 104 CO 0.00 0.21 -0.04 0.25 -0.60 0.00 0.00 178.31 178.13 3kbv n THR 105 N -3.48 1.89 -1.65 -1.55 -2.24 -1.26 -4.49 114.28 101.49 3kbv n THR 105 Ca -0.01 -2.31 -0.41 0.00 -2.27 0.00 0.00 64.05 59.05 3kbv n THR 105 Cb 0.38 -0.23 0.02 0.00 -2.10 0.00 0.00 70.33 68.39 3kbv n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kbv n ALA 106 N -1.41 0.69 -0.02 6.98 0.00 -1.19 -4.86 120.51 120.71 3kbv n ALA 106 Ca 0.16 0.23 -0.03 0.00 0.00 0.00 0.00 53.44 53.80 3kbv n ALA 106 Cb 0.64 -2.17 0.22 0.00 0.00 0.00 0.00 19.45 18.14 3kbv n ALA 106 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3kbv h ASN 107 N 1.69 0.55 -2.89 0.00 2.35 -1.93 -3.42 115.58 111.93 3kbv h ASN 107 Ca -0.46 -0.15 -0.56 0.00 -0.55 0.00 0.00 56.30 54.58 3kbv h ASN 107 Cb 1.32 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.52 3kbv h ASN 107 CO 0.58 0.71 0.89 -1.81 -1.65 0.00 0.00 177.43 176.14 3kbv s ASP 108 N -6.75 6.90 0.32 5.81 1.01 -1.26 -4.92 116.67 117.79 3kbv s ASP 108 Ca -0.08 1.86 0.04 0.00 0.71 0.00 0.00 52.55 55.08 3kbv s ASP 108 Cb 0.14 -2.54 0.56 0.00 1.01 0.00 0.00 42.92 42.09 3kbv s ASP 108 CO 0.79 -0.75 1.85 -0.09 0.21 0.00 0.00 175.17 177.18 3kbv h ARG 109 N 8.23 0.54 -0.12 8.23 2.43 -2.00 -2.54 114.38 129.14 3kbv h ARG 109 Ca -0.31 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 58.64 3kbv h ARG 109 Cb 1.14 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 3kbv h ARG 109 CO 0.94 0.59 -0.32 0.38 -1.51 0.00 0.00 179.97 180.05 3kbv h ASP 110 N 0.51 0.24 -0.51 -3.80 2.03 -1.96 -1.88 116.42 111.06 3kbv h ASP 110 Ca 0.11 -0.08 -0.08 0.00 -0.73 0.00 0.00 57.03 56.25 3kbv h ASP 110 Cb 0.38 -0.07 -0.02 0.00 -0.83 0.00 0.00 39.33 38.79 3kbv h ASP 110 CO 0.02 0.56 0.02 0.58 -1.03 0.00 0.00 179.24 179.39 3kbv h VAL 111 N 0.21 1.26 -0.93 4.15 2.07 -1.83 -1.35 116.25 119.83 3kbv h VAL 111 Ca 0.03 -1.04 0.04 0.00 0.82 0.00 0.00 66.70 66.54 3kbv h VAL 111 Cb 0.68 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 3kbv h VAL 111 CO 0.05 0.37 0.61 0.03 0.02 0.00 0.00 177.57 178.65 3kbv h ARG 112 N 0.75 1.12 -0.35 1.57 3.08 -1.19 0.13 114.38 119.49 3kbv h ARG 112 Ca 0.15 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 3kbv h ARG 112 Cb 0.49 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3kbv h ARG 112 CO 0.02 0.74 -0.04 0.00 -1.07 0.00 0.00 179.97 179.62 3kbv h ARG 113 N 1.15 0.64 -0.88 0.04 3.08 -1.12 -2.37 114.38 114.92 3kbv h ARG 113 Ca 0.37 -0.22 0.03 0.00 0.07 0.00 0.00 59.98 60.22 3kbv h ARG 113 Cb 0.04 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 3kbv h ARG 113 CO -0.12 0.78 0.57 -0.92 -1.07 0.00 0.00 179.97 179.22 3kbv h TYR 114 N 0.43 1.08 -0.78 3.04 3.20 -0.77 -1.62 116.97 121.55 3kbv h TYR 114 Ca 0.09 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.01 3kbv h TYR 114 Cb 0.52 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 3kbv h TYR 114 CO 0.04 0.64 0.51 0.00 -1.64 0.00 0.00 178.16 177.71 3kbv h ALA 115 N 1.35 1.00 -0.38 1.82 0.00 -0.50 -0.08 119.26 122.47 3kbv h ALA 115 Ca 0.34 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3kbv h ALA 115 Cb -0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3kbv h ALA 115 CO -0.10 0.36 0.05 -0.07 0.00 0.00 0.00 179.25 179.49 3kbv h LEU 116 N 1.02 0.61 -0.91 0.00 3.38 -1.08 -1.79 115.31 116.53 3kbv h LEU 116 Ca 0.30 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3kbv h LEU 116 Cb -0.06 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3kbv h LEU 116 CO -0.08 0.72 0.16 0.03 0.09 0.00 0.00 178.44 179.36 3kbv h ARG 117 N 0.48 0.96 -0.41 1.13 2.47 -0.81 -1.08 114.38 117.12 3kbv h ARG 117 Ca 0.12 -0.20 -0.06 0.00 -1.26 0.00 0.00 59.98 58.57 3kbv h ARG 117 Cb 0.38 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 3kbv h ARG 117 CO 0.01 0.85 0.00 -0.22 0.56 0.00 0.00 179.97 181.17 3kbv h LYS 118 N 0.92 0.65 -0.12 0.04 3.64 -0.83 -2.50 116.57 118.37 3kbv h LYS 118 Ca 0.20 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3kbv h LYS 118 Cb 0.31 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3kbv h LYS 118 CO -0.00 0.67 -0.08 1.15 -2.27 0.00 0.00 179.45 178.92 3kbv h THR 119 N 0.62 1.33 -0.70 1.00 2.02 -0.89 -3.07 112.91 113.23 3kbv h THR 119 Ca 0.13 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 3kbv h THR 119 Cb 0.38 1.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 3kbv h THR 119 CO 0.01 0.33 0.39 0.40 0.37 0.00 0.00 175.52 177.03 3kbv h ILE 120 N -0.10 1.21 -0.94 3.11 2.04 -1.04 -0.41 117.51 121.38 3kbv h ILE 120 Ca 0.02 -0.51 0.12 0.00 1.00 0.00 0.00 64.86 65.49 3kbv h ILE 120 Cb 0.56 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 3kbv h ILE 120 CO 0.02 0.23 0.60 -0.09 0.00 0.00 0.00 178.15 178.91 3kbv h ARG 121 N 0.95 0.85 0.00 2.37 2.43 -1.51 -1.91 114.38 117.57 3kbv h ARG 121 Ca 0.25 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.28 3kbv h ARG 121 Cb 0.02 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3kbv h ARG 121 CO -0.04 0.56 -0.63 -0.97 -1.51 0.00 0.00 179.97 177.38 3kbv h ASN 122 N 0.88 0.00 -0.66 -3.80 -1.24 -1.10 -3.08 115.58 106.58 3kbv h ASN 122 Ca 0.46 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.46 3kbv h ASN 122 Cb 0.53 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.55 3kbv h ASN 122 CO -0.22 0.38 0.37 0.40 -1.29 0.00 0.00 177.43 177.06 3kbv h ILE 123 N 0.00 1.21 -0.46 2.57 2.04 -0.35 0.21 117.51 122.72 3kbv h ILE 123 Ca -0.03 -0.52 0.05 0.00 1.00 0.00 0.00 64.86 65.36 3kbv h ILE 123 Cb 1.32 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 3kbv h ILE 123 CO 0.04 0.23 0.19 0.44 0.00 0.00 0.00 178.15 179.05 3kbv h ASP 124 N 0.91 0.23 -0.55 1.72 3.32 -1.45 -0.44 116.42 120.16 3kbv h ASP 124 Ca 0.23 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.25 3kbv h ASP 124 Cb 0.04 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3kbv h ASP 124 CO -0.04 0.17 0.05 0.25 -1.72 0.00 0.00 179.24 177.96 3kbv h LEU 125 N 0.38 0.94 -0.46 1.55 5.85 -1.36 -2.29 115.31 119.92 3kbv h LEU 125 Ca 0.21 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3kbv h LEU 125 Cb 0.18 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3kbv h LEU 125 CO -0.19 0.96 0.22 0.00 -0.34 0.00 0.00 178.44 179.09 3kbv h ALA 126 N 1.14 0.59 -0.81 1.25 0.00 0.21 -1.96 119.26 119.68 3kbv h ALA 126 Ca 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kbv h ALA 126 Cb 0.46 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3kbv h ALA 126 CO 0.02 0.15 0.43 0.28 0.00 0.00 0.00 179.25 180.13 3kbv h VAL 127 N 0.59 1.24 -0.56 0.00 2.07 -0.94 -0.88 116.25 117.78 3kbv h VAL 127 Ca 0.16 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.10 3kbv h VAL 127 Cb 0.12 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.03 3kbv h VAL 127 CO -0.02 0.28 0.29 -0.08 0.02 0.00 0.00 177.57 178.06 3kbv h GLU 128 N 1.13 0.53 0.00 1.57 4.81 -1.05 -0.87 114.58 120.70 3kbv h GLU 128 Ca 0.28 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3kbv h GLU 128 Cb 0.06 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3kbv h GLU 128 CO -0.04 0.35 0.00 1.28 -0.73 0.00 0.00 179.01 179.87 3kbv n LEU 129 N -4.86 0.00 0.00 1.64 4.77 -0.77 -4.89 117.00 112.89 3kbv n LEU 129 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3kbv n LEU 129 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3kbv n LEU 129 CO 0.28 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3kbv n GLY 130 N 0.88 0.77 3.77 -0.72 0.00 -0.33 -4.48 105.19 105.08 3kbv n GLY 130 Ca 0.19 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3kbv n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbv s ALA 131 N -2.00 3.17 -0.53 4.61 0.00 -0.40 -4.70 121.76 121.90 3kbv s ALA 131 Ca 0.00 1.06 0.19 0.00 0.00 0.00 0.00 51.96 53.20 3kbv s ALA 131 Cb 0.00 -3.42 -0.24 0.00 0.00 0.00 0.00 23.12 19.46 3kbv s ALA 131 CO 0.00 -0.65 0.64 0.39 0.00 0.00 0.00 175.76 176.14 3kbv n GLU 132 N 0.04 0.79 -4.35 0.00 1.02 -0.39 -4.64 120.64 113.11 3kbv n GLU 132 Ca 0.04 -0.07 -0.20 0.00 -0.02 0.00 0.00 57.16 56.92 3kbv n GLU 132 Cb 0.46 -1.40 -0.15 0.00 -0.02 0.00 0.00 31.44 30.32 3kbv n GLU 132 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kbv s THR 133 N -2.96 0.72 -0.20 2.62 2.01 -0.98 -2.10 115.64 114.74 3kbv s THR 133 Ca 0.01 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.69 3kbv s THR 133 Cb 0.13 -0.64 0.02 0.00 0.01 0.00 0.00 72.50 72.03 3kbv s THR 133 CO 0.77 0.22 -0.16 -0.47 -0.69 0.00 0.00 174.62 174.29 3kbv s TYR 134 N 0.14 2.89 0.08 4.92 5.04 0.14 -2.21 117.35 128.35 3kbv s TYR 134 Ca -0.02 -1.67 -0.08 0.00 -2.44 0.00 0.00 57.07 52.86 3kbv s TYR 134 Cb -0.07 -1.95 -0.06 0.00 0.35 0.00 0.00 41.96 40.23 3kbv s TYR 134 CO 0.00 -0.79 0.37 0.08 -1.34 0.00 0.00 175.55 173.87 3kbv s VAL 135 N 1.28 5.15 -0.17 3.14 1.01 0.20 -1.18 120.40 129.84 3kbv s VAL 135 Ca 0.03 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.31 3kbv s VAL 135 Cb -0.14 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.64 3kbv s VAL 135 CO -0.10 0.25 -0.14 0.00 0.00 0.00 0.00 175.10 175.10 3kbv s ALA 136 N -1.44 2.04 -0.31 5.51 0.00 0.15 -4.14 121.76 123.57 3kbv s ALA 136 Ca 0.34 -1.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 3kbv s ALA 136 Cb -0.13 -1.17 0.05 0.00 0.00 0.00 0.00 23.12 21.87 3kbv s ALA 136 CO 0.19 -0.52 0.02 -0.46 0.00 0.00 0.00 175.76 174.98 3kbv s TRP 137 N 1.40 3.29 -1.37 0.00 -0.00 -1.26 -1.58 118.94 119.42 3kbv s TRP 137 Ca 0.03 -1.90 -0.09 0.00 -0.00 0.00 0.00 56.10 54.14 3kbv s TRP 137 Cb -0.14 -2.19 0.10 0.00 -0.00 0.00 0.00 33.47 31.24 3kbv s TRP 137 CO -0.10 -0.81 2.27 0.41 -0.00 0.00 0.00 176.95 178.71 3kbv n GLY 138 N 4.62 4.82 0.36 5.86 0.00 -1.26 -4.76 105.19 114.83 3kbv n GLY 138 Ca -0.12 -1.93 0.11 0.00 0.00 0.00 0.00 46.02 44.07 3kbv n GLY 138 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kbv h GLY 139 N 7.13 0.72 -2.20 -0.02 0.00 -1.93 -2.30 103.07 104.47 3kbv h GLY 139 Ca 0.60 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3kbv h GLY 139 CO 1.63 0.13 0.00 0.54 0.00 0.00 0.00 176.54 178.84 3kbv n ARG 140 N -4.48 2.44 -2.77 4.80 5.12 -1.26 -4.05 116.66 116.46 3kbv n ARG 140 Ca 0.11 -2.24 -0.43 0.00 -1.93 0.00 0.00 57.85 53.37 3kbv n ARG 140 Cb 0.35 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 30.13 3kbv n ARG 140 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3kbv s GLU 141 N -1.43 3.34 0.00 5.56 0.41 -0.87 -2.93 118.70 122.78 3kbv s GLU 141 Ca 0.37 -0.20 0.00 0.00 -0.41 0.00 0.00 54.97 54.73 3kbv s GLU 141 Cb 0.22 -4.07 0.00 0.00 -1.78 0.00 0.00 34.13 28.50 3kbv s GLU 141 CO 0.30 -1.59 0.00 0.41 -0.49 0.00 0.00 175.26 173.89 3kbv n GLY 142 N 5.14 -0.54 3.50 -1.39 0.00 -1.26 -0.93 105.19 109.70 3kbv n GLY 142 Ca 0.03 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 3kbv n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbv s ALA 143 N -1.00 -1.78 -0.33 4.61 0.00 -0.68 -4.90 121.76 117.68 3kbv s ALA 143 Ca 0.00 1.03 0.22 0.00 0.00 0.00 0.00 51.96 53.20 3kbv s ALA 143 Cb 0.00 0.29 -0.27 0.00 0.00 0.00 0.00 23.12 23.14 3kbv s ALA 143 CO 0.00 -0.61 0.65 0.39 0.00 0.00 0.00 175.76 176.19 3kbv n GLU 144 N 0.02 0.46 -4.15 0.00 4.71 -1.26 -1.55 120.64 118.86 3kbv n GLU 144 Ca -0.12 -0.12 -0.10 0.00 -0.01 0.00 0.00 57.16 56.81 3kbv n GLU 144 Cb 0.61 -1.53 -0.10 0.00 -1.01 0.00 0.00 31.44 29.41 3kbv n GLU 144 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3kbv s SER 145 N -4.12 0.88 0.19 1.62 1.04 -1.26 -4.93 113.70 107.13 3kbv s SER 145 Ca -0.03 -1.04 -0.05 0.00 0.48 0.00 0.00 55.95 55.31 3kbv s SER 145 Cb 0.14 0.15 0.13 0.00 0.10 0.00 0.00 66.02 66.54 3kbv s SER 145 CO 0.89 -0.54 1.57 1.23 0.98 0.00 0.00 173.24 177.37 3kbv h GLY 146 N 2.99 0.82 1.36 7.32 0.00 -1.95 -3.19 103.07 110.41 3kbv h GLY 146 Ca -0.35 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.20 3kbv h GLY 146 CO 0.64 0.71 -0.35 0.61 0.00 0.00 0.00 176.54 178.15 3kbv n GLY 147 N -0.05 -1.37 0.27 4.60 0.00 -1.26 -3.98 105.19 103.41 3kbv n GLY 147 Ca -0.01 -0.25 0.17 0.00 0.00 0.00 0.00 46.02 45.93 3kbv n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbv h ALA 148 N 2.90 1.01 -2.82 4.61 0.00 -1.98 -3.42 119.26 119.56 3kbv h ALA 148 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 3kbv h ALA 148 Cb 0.55 -0.00 -0.36 0.00 0.00 0.00 0.00 17.79 17.98 3kbv h ALA 148 CO 0.00 0.03 -0.62 0.21 0.00 0.00 0.00 179.25 178.87 3kbv s LYS 149 N -3.70 0.12 -0.38 0.00 2.47 -1.26 -5.00 119.74 111.99 3kbv s LYS 149 Ca 0.01 0.40 -0.29 0.00 -1.56 0.00 0.00 55.97 54.53 3kbv s LYS 149 Cb 0.09 -0.72 0.01 0.00 -1.46 0.00 0.00 37.83 35.75 3kbv s LYS 149 CO 0.55 -0.47 1.26 0.34 0.16 0.00 0.00 175.35 177.19 3kbv s ASP 150 N 2.32 6.60 0.28 1.43 -1.08 -1.26 -4.92 116.67 120.03 3kbv s ASP 150 Ca 0.04 0.88 0.13 0.00 -0.52 0.00 0.00 52.55 53.08 3kbv s ASP 150 Cb -0.14 -2.54 0.35 0.00 -1.46 0.00 0.00 42.92 39.13 3kbv s ASP 150 CO -0.09 -1.21 1.59 0.58 0.52 0.00 0.00 175.17 176.56 3kbv h VAL 151 N 6.15 1.26 -0.59 1.11 2.07 -1.98 -0.27 116.25 124.00 3kbv h VAL 151 Ca -0.25 -2.13 -0.06 0.00 0.82 0.00 0.00 66.70 65.08 3kbv h VAL 151 Cb 1.08 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 3kbv h VAL 151 CO 1.07 0.58 0.13 0.03 0.02 0.00 0.00 177.57 179.40 3kbv h ARG 152 N 0.00 0.95 -0.40 1.57 3.08 -1.99 0.04 114.38 117.63 3kbv h ARG 152 Ca -0.01 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.72 3kbv h ARG 152 Cb 1.16 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 3kbv h ARG 152 CO 0.08 0.89 -0.10 -0.44 -1.07 0.00 0.00 179.97 179.32 3kbv h ASP 153 N 0.86 0.68 -0.34 7.04 3.32 -1.91 -0.85 116.42 125.22 3kbv h ASP 153 Ca 0.18 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 3kbv h ASP 153 Cb 0.37 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3kbv h ASP 153 CO 0.01 0.82 -0.08 0.00 -1.72 0.00 0.00 179.24 178.27 3kbv h ALA 154 N 1.25 1.04 -0.20 3.45 0.00 -0.73 -0.95 119.26 123.13 3kbv h ALA 154 Ca 0.11 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 3kbv h ALA 154 Cb 0.55 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3kbv h ALA 154 CO 0.03 0.58 -0.36 -0.07 0.00 0.00 0.00 179.25 179.44 3kbv h LEU 155 N 0.70 0.45 -0.70 0.00 3.38 -0.76 0.84 115.31 119.21 3kbv h LEU 155 Ca 0.12 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kbv h LEU 155 Cb 0.54 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3kbv h LEU 155 CO 0.03 0.78 0.45 0.44 0.09 0.00 0.00 178.44 180.23 3kbv h ASP 156 N 0.37 0.82 -0.19 -0.43 3.32 -0.53 -0.94 116.42 118.84 3kbv h ASP 156 Ca 0.04 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 3kbv h ASP 156 Cb 0.81 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3kbv h ASP 156 CO 0.06 0.62 -0.15 0.03 -1.72 0.00 0.00 179.24 178.08 3kbv h ARG 157 N 0.95 0.60 -0.45 3.56 2.47 -0.64 -1.07 114.38 119.80 3kbv h ARG 157 Ca 0.26 -0.19 -0.09 0.00 -1.26 0.00 0.00 59.98 58.69 3kbv h ARG 157 Cb -0.08 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.18 3kbv h ARG 157 CO -0.05 0.73 -0.08 1.98 0.56 0.00 0.00 179.97 183.11 3kbv h MET 158 N 0.54 0.85 -0.53 0.04 4.05 -0.49 -1.26 114.93 118.13 3kbv h MET 158 Ca 0.09 -0.31 -0.06 0.00 -0.28 0.00 0.00 59.70 59.15 3kbv h MET 158 Cb 0.57 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 3kbv h MET 158 CO 0.04 0.94 0.11 -0.22 0.23 0.00 0.00 176.91 178.00 3kbv h LYS 159 N 0.68 0.86 -0.54 0.39 3.64 -1.02 -1.69 116.57 118.89 3kbv h LYS 159 Ca 0.12 -0.22 0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3kbv h LYS 159 Cb 0.61 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 3kbv h LYS 159 CO 0.04 0.83 0.31 1.49 -2.27 0.00 0.00 179.45 179.85 3kbv h GLU 160 N 0.75 0.58 0.11 1.90 4.81 -1.03 0.25 114.58 121.94 3kbv h GLU 160 Ca 0.16 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3kbv h GLU 160 Cb 0.37 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3kbv h GLU 160 CO 0.01 0.38 -0.05 0.00 -0.73 0.00 0.00 179.01 178.62 3kbv h ALA 161 N 1.26 -0.14 -0.24 2.92 0.00 -0.98 -1.77 119.26 120.31 3kbv h ALA 161 Ca 0.23 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3kbv h ALA 161 Cb 0.08 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3kbv h ALA 161 CO -0.12 -0.52 -0.24 0.74 0.00 0.00 0.00 179.25 179.11 3kbv h PHE 162 N -0.26 0.49 -0.59 0.00 0.04 -1.07 -1.62 116.94 113.93 3kbv h PHE 162 Ca -0.01 -0.10 -0.07 0.00 2.80 0.00 0.00 57.97 60.59 3kbv h PHE 162 Cb 0.21 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 3kbv h PHE 162 CO -0.03 0.65 0.11 -0.44 -0.60 0.00 0.00 178.31 177.99 3kbv h ASP 163 N 0.39 0.93 -0.69 2.17 3.32 -0.40 -1.08 116.42 121.06 3kbv h ASP 163 Ca 0.06 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 3kbv h ASP 163 Cb 0.63 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 3kbv h ASP 163 CO 0.05 0.94 0.33 -0.07 -1.72 0.00 0.00 179.24 178.77 3kbv h LEU 164 N 0.87 0.90 -1.21 1.55 3.38 -1.06 -0.23 115.31 119.50 3kbv h LEU 164 Ca 0.18 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3kbv h LEU 164 Cb 0.40 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3kbv h LEU 164 CO 0.01 0.78 -0.13 -0.07 0.09 0.00 0.00 178.44 179.11 3kbv h LEU 165 N 0.96 0.37 -0.34 1.67 3.38 -1.00 -1.02 115.31 119.31 3kbv h LEU 165 Ca 0.24 -0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.93 3kbv h LEU 165 Cb 0.12 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kbv h LEU 165 CO -0.03 0.53 -0.63 1.23 0.09 0.00 0.00 178.44 179.63 3kbv h GLY 166 N 0.87 0.78 0.79 0.83 0.00 -0.68 -1.86 103.07 103.80 3kbv h GLY 166 Ca 0.07 -0.97 0.04 0.00 0.00 0.00 0.00 47.33 46.47 3kbv h GLY 166 CO 0.03 0.87 0.39 -2.09 0.00 0.00 0.00 176.54 175.74 3kbv h GLU 167 N 0.52 0.73 0.02 4.80 4.81 -0.68 -2.15 114.58 122.63 3kbv h GLU 167 Ca -0.01 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3kbv h GLU 167 Cb 1.22 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3kbv h GLU 167 CO 0.13 0.48 -0.01 -0.92 -0.73 0.00 0.00 179.01 177.96 3kbv h TYR 168 N 0.75 -0.02 -0.67 0.92 3.20 -0.95 0.37 116.97 120.58 3kbv h TYR 168 Ca 0.28 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 3kbv h TYR 168 Cb 0.09 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3kbv h TYR 168 CO -0.06 0.09 0.34 0.28 -1.64 0.00 0.00 178.16 177.17 3kbv h VAL 169 N -0.13 1.22 -0.46 1.81 2.07 -1.27 -1.13 116.25 118.37 3kbv h VAL 169 Ca -0.00 -0.58 -0.12 0.00 0.82 0.00 0.00 66.70 66.81 3kbv h VAL 169 Cb 0.12 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3kbv h VAL 169 CO 0.00 0.25 -0.19 0.71 0.02 0.00 0.00 177.57 178.36 3kbv h THR 170 N 0.92 1.27 0.00 2.57 1.35 -1.34 -1.22 112.91 116.46 3kbv h THR 170 Ca 0.23 -1.34 -0.06 0.00 -0.55 0.00 0.00 66.41 64.70 3kbv h THR 170 Cb 0.08 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 3kbv h THR 170 CO -0.03 0.46 -0.28 0.77 -0.25 0.00 0.00 175.52 176.19 3kbv h SER 171 N 0.78 0.00 0.53 5.36 4.64 -0.52 -1.92 113.55 122.42 3kbv h SER 171 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3kbv h SER 171 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3kbv h SER 171 CO 0.06 0.28 -0.59 0.00 -0.87 0.00 0.00 176.83 175.71 3kbv n GLN 172 N -3.78 0.07 -1.86 4.77 1.13 -0.46 -4.95 117.38 112.30 3kbv n GLN 172 Ca -0.01 0.01 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 3kbv n GLN 172 Cb 0.38 -1.54 -0.02 0.00 0.11 0.00 0.00 30.24 29.17 3kbv n GLN 172 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kbv n GLY 173 N 1.46 0.36 3.77 1.08 0.00 -0.57 -5.00 105.19 106.29 3kbv n GLY 173 Ca 0.05 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 3kbv n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kbv s TYR 174 N -2.41 3.63 -0.97 1.61 2.02 -0.57 -4.98 117.35 115.68 3kbv s TYR 174 Ca 0.00 1.76 -0.11 0.00 -0.37 0.00 0.00 57.07 58.35 3kbv s TYR 174 Cb 0.00 -3.01 0.25 0.00 -0.40 0.00 0.00 41.96 38.79 3kbv s TYR 174 CO 0.00 -0.02 0.93 -0.51 -1.57 0.00 0.00 175.55 174.38 3kbv s ASP 175 N -1.46 6.99 -0.07 2.29 1.01 -1.26 -4.77 116.67 119.39 3kbv s ASP 175 Ca 0.50 -3.17 -0.16 0.00 0.71 0.00 0.00 52.55 50.43 3kbv s ASP 175 Cb -0.22 -2.20 0.03 0.00 1.01 0.00 0.00 42.92 41.55 3kbv s ASP 175 CO 0.28 -0.42 0.38 -0.51 0.21 0.00 0.00 175.17 175.11 3kbv s ILE 176 N -0.58 0.03 0.28 0.77 2.07 -1.26 -4.74 121.20 117.76 3kbv s ILE 176 Ca 0.24 -0.23 0.10 0.00 -1.41 0.00 0.00 60.65 59.35 3kbv s ILE 176 Cb -0.10 -0.63 -0.05 0.00 0.13 0.00 0.00 42.46 41.81 3kbv s ILE 176 CO -0.09 -0.13 -0.16 -0.13 -1.91 0.00 0.00 174.94 172.53 3kbv s ARG 177 N -0.68 1.63 0.04 3.50 0.52 -0.89 -5.00 118.95 118.07 3kbv s ARG 177 Ca -0.08 -1.77 0.02 0.00 -0.52 0.00 0.00 55.73 53.38 3kbv s ARG 177 Cb -0.04 -1.59 -0.04 0.00 0.52 0.00 0.00 34.95 33.81 3kbv s ARG 177 CO 0.03 0.24 0.05 -0.06 0.02 0.00 0.00 175.30 175.59 3kbv s PHE 178 N -2.66 3.17 -0.07 -0.53 0.08 0.54 -0.69 117.98 117.83 3kbv s PHE 178 Ca 0.29 0.11 0.00 0.00 0.12 0.00 0.00 56.93 57.45 3kbv s PHE 178 Cb -0.02 -1.66 0.02 0.00 -0.57 0.00 0.00 43.02 40.80 3kbv s PHE 178 CO 0.14 0.51 -0.05 0.00 -0.10 0.00 0.00 175.22 175.72 3kbv s ALA 179 N -1.26 0.90 -0.09 5.36 0.00 -0.32 -0.37 121.76 125.98 3kbv s ALA 179 Ca 0.25 -0.24 -0.17 0.00 0.00 0.00 0.00 51.96 51.80 3kbv s ALA 179 Cb -0.12 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 3kbv s ALA 179 CO 0.17 -0.24 0.46 0.42 0.00 0.00 0.00 175.76 176.57 3kbv s ILE 180 N 1.42 5.14 -0.41 0.00 1.01 -0.14 -0.67 121.20 127.55 3kbv s ILE 180 Ca -0.02 0.93 -0.11 0.00 0.00 0.00 0.00 60.65 61.45 3kbv s ILE 180 Cb -0.13 -3.80 0.06 0.00 0.01 0.00 0.00 42.46 38.60 3kbv s ILE 180 CO -0.03 0.38 0.27 -0.70 0.00 0.00 0.00 174.94 174.86 3kbv s GLU 181 N 0.26 2.76 0.52 2.79 2.12 -0.61 -0.81 118.70 125.73 3kbv s GLU 181 Ca 0.25 -1.30 -0.17 0.00 0.36 0.00 0.00 54.97 54.12 3kbv s GLU 181 Cb -0.15 -3.84 -0.07 0.00 0.26 0.00 0.00 34.13 30.32 3kbv s GLU 181 CO 0.11 -0.88 1.00 -2.14 -0.54 0.00 0.00 175.26 172.81 3kbv s PRO 182 N 1.52 3.85 -0.18 4.30 0.02 -1.26 -4.36 135.00 138.89 3kbv s PRO 182 Ca 0.03 1.03 -0.15 0.00 0.02 0.00 0.00 61.00 61.94 3kbv s PRO 182 Cb -0.22 -2.12 0.05 0.00 0.02 0.00 0.00 34.50 32.23 3kbv s PRO 182 CO 0.05 -0.35 0.47 0.21 -0.33 0.00 0.00 177.00 177.04 3kbv s LYS 183 N -3.95 0.52 0.19 5.54 2.20 -1.23 -4.71 119.74 118.29 3kbv s LYS 183 Ca 0.60 0.72 0.06 0.00 -0.36 0.00 0.00 55.97 57.00 3kbv s LYS 183 Cb -0.11 0.19 0.06 0.00 -1.51 0.00 0.00 37.83 36.46 3kbv s LYS 183 CO 0.30 -0.09 1.43 -1.00 -0.36 0.00 0.00 175.35 175.63 3kbv h PRO 184 N 5.93 0.09 -2.66 4.03 0.13 -1.62 -3.39 132.00 134.51 3kbv h PRO 184 Ca -0.30 -0.10 0.09 0.00 -0.87 0.00 0.00 66.00 64.83 3kbv h PRO 184 Cb 1.18 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 3kbv h PRO 184 CO 0.23 0.86 0.36 0.54 -0.23 0.00 0.00 178.00 179.75 3kbv s ASN 185 N -6.85 -0.32 0.00 1.44 4.22 -1.26 -1.71 114.94 110.46 3kbv s ASN 185 Ca -0.01 -0.30 0.00 0.00 -2.14 0.00 0.00 52.86 50.41 3kbv s ASN 185 Cb 0.11 0.56 0.00 0.00 1.28 0.00 0.00 41.25 43.20 3kbv s ASN 185 CO 0.81 -0.99 0.00 1.21 -2.04 0.00 0.00 177.10 176.09 3kbv n GLU 186 N -0.40 0.00 0.02 3.55 2.13 -1.26 -4.84 120.64 119.83 3kbv n GLU 186 Ca -0.08 0.47 0.13 0.00 0.66 0.00 0.00 57.16 58.34 3kbv n GLU 186 Cb 0.61 -0.48 0.36 0.00 0.27 0.00 0.00 31.44 32.21 3kbv n GLU 186 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3kbv n PRO 187 N 0.16 0.06 -2.75 5.31 -0.04 -1.26 -5.02 135.00 131.46 3kbv n PRO 187 Ca 0.00 0.03 -0.31 0.00 -0.04 0.00 0.00 63.50 63.18 3kbv n PRO 187 Cb 0.00 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 31.88 3kbv n PRO 187 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3kbv s ARG 188 N -3.03 3.84 0.23 0.54 1.81 -1.26 -4.99 118.95 116.09 3kbv s ARG 188 Ca 0.11 0.61 -0.06 0.00 -1.72 0.00 0.00 55.73 54.67 3kbv s ARG 188 Cb 0.17 -2.33 0.36 0.00 -0.45 0.00 0.00 34.95 32.70 3kbv s ARG 188 CO 0.64 -0.09 1.80 0.78 -0.68 0.00 0.00 175.30 177.75 3kbv h GLY 189 N 1.23 1.16 -5.94 -3.53 0.00 -1.88 -3.41 103.07 90.69 3kbv h GLY 189 Ca -0.47 -0.27 -0.27 0.00 0.00 0.00 0.00 47.33 46.32 3kbv h GLY 189 CO 0.63 0.10 -0.73 0.99 0.00 0.00 0.00 176.54 177.53 3kbv s ASP 190 N -5.56 0.10 -0.03 0.19 1.01 -0.60 -4.69 116.67 107.10 3kbv s ASP 190 Ca -0.12 0.00 -0.00 0.00 0.71 0.00 0.00 52.55 53.14 3kbv s ASP 190 Cb 0.18 -0.05 -0.04 0.00 1.01 0.00 0.00 42.92 44.03 3kbv s ASP 190 CO 0.77 -0.05 0.01 -0.63 0.21 0.00 0.00 175.17 175.49 3kbv s ILE 191 N 0.45 4.30 0.52 0.77 1.01 -0.69 -1.68 121.20 125.87 3kbv s ILE 191 Ca -0.04 -0.44 -0.20 0.00 0.00 0.00 0.00 60.65 59.98 3kbv s ILE 191 Cb -0.06 -2.88 -0.07 0.00 0.01 0.00 0.00 42.46 39.46 3kbv s ILE 191 CO -0.01 0.46 1.09 -0.76 0.00 0.00 0.00 174.94 175.71 3kbv s LEU 192 N -1.33 3.77 -1.05 2.97 1.43 -0.10 -3.68 118.68 120.68 3kbv s LEU 192 Ca 0.18 2.06 -0.09 0.00 -1.03 0.00 0.00 54.13 55.24 3kbv s LEU 192 Cb -0.11 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.49 3kbv s LEU 192 CO 0.08 -1.04 0.87 0.18 0.23 0.00 0.00 176.35 176.67 3kbv n LEU 193 N -1.21 -4.97 0.18 1.79 4.77 -1.26 -4.82 117.00 111.48 3kbv n LEU 193 Ca 0.10 -0.75 0.14 0.00 -0.03 0.00 0.00 56.01 55.47 3kbv n LEU 193 Cb 0.52 -3.00 0.45 0.00 -2.33 0.00 0.00 43.42 39.06 3kbv n LEU 193 CO 0.41 0.12 0.89 1.55 -1.33 0.00 0.00 177.39 179.04 3kbv h PRO 194 N -1.19 0.00 -4.75 3.23 0.13 -1.76 -3.34 132.00 124.33 3kbv h PRO 194 Ca -0.59 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.25 3kbv h PRO 194 Cb 1.31 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.29 3kbv h PRO 194 CO 0.44 0.00 -0.63 0.95 -0.23 0.00 0.00 178.00 178.53 3kbv s THR 195 N -3.33 0.39 0.30 1.56 -4.23 -1.26 -1.92 115.64 107.14 3kbv s THR 195 Ca 0.06 -1.99 0.06 0.00 -1.18 0.00 0.00 61.69 58.64 3kbv s THR 195 Cb 0.09 -2.46 0.29 0.00 1.34 0.00 0.00 72.50 71.77 3kbv s THR 195 CO 0.55 -0.12 1.74 0.58 -0.54 0.00 0.00 174.62 176.82 3kbv h VAL 196 N 2.54 0.60 -0.20 2.29 2.07 -1.92 -1.99 116.25 119.65 3kbv h VAL 196 Ca -0.37 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3kbv h VAL 196 Cb 1.24 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3kbv h VAL 196 CO 0.59 0.11 0.09 1.23 0.02 0.00 0.00 177.57 179.61 3kbv h GLY 197 N 0.61 0.30 1.31 2.17 0.00 -1.96 -0.79 103.07 104.71 3kbv h GLY 197 Ca 0.59 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 3kbv h GLY 197 CO -0.44 0.14 0.36 0.45 0.00 0.00 0.00 176.54 177.05 3kbv h HIS 198 N 0.19 0.89 -0.31 5.60 -0.00 -1.79 -1.35 115.15 118.38 3kbv h HIS 198 Ca 0.07 -0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.34 3kbv h HIS 198 Cb 0.12 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.23 3kbv h HIS 198 CO -0.03 0.62 -0.14 0.00 -0.00 0.00 0.00 177.93 178.39 3kbv h ALA 199 N 1.48 0.43 -0.96 2.45 0.00 -1.19 -1.70 119.26 119.78 3kbv h ALA 199 Ca 0.23 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kbv h ALA 199 Cb 0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3kbv h ALA 199 CO -0.04 0.32 0.59 -0.07 0.00 0.00 0.00 179.25 180.06 3kbv h LEU 200 N 0.40 1.13 -0.61 0.00 3.38 -0.80 -1.95 115.31 116.87 3kbv h LEU 200 Ca 0.07 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 3kbv h LEU 200 Cb 0.66 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3kbv h LEU 200 CO 0.04 0.86 -0.24 0.00 0.09 0.00 0.00 178.44 179.18 3kbv h ALA 201 N 1.33 0.79 -0.78 1.53 0.00 -1.13 -2.98 119.26 118.02 3kbv h ALA 201 Ca 0.34 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3kbv h ALA 201 Cb -0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3kbv h ALA 201 CO -0.07 0.65 0.28 0.35 0.00 0.00 0.00 179.25 180.47 3kbv h PHE 202 N 0.73 1.21 -0.03 0.00 3.57 -1.00 -2.93 116.94 118.49 3kbv h PHE 202 Ca 0.09 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3kbv h PHE 202 Cb 0.78 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 3kbv h PHE 202 CO 0.04 0.93 0.02 0.82 -2.23 0.00 0.00 178.31 177.89 3kbv h ILE 203 N 1.14 1.01 0.00 1.41 2.04 -1.20 -0.80 117.51 121.11 3kbv h ILE 203 Ca 0.26 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.09 3kbv h ILE 203 Cb 0.25 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3kbv h ILE 203 CO -0.02 0.01 0.00 -0.62 0.00 0.00 0.00 178.15 177.53 3kbv n GLU 204 N -4.53 0.12 -0.16 2.37 -0.58 -1.10 -1.89 120.64 114.86 3kbv n GLU 204 Ca -0.03 0.27 0.12 0.00 -0.42 0.00 0.00 57.16 57.11 3kbv n GLU 204 Cb 0.09 -1.69 0.21 0.00 -0.57 0.00 0.00 31.44 29.48 3kbv n GLU 204 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kbv n ARG 205 N -1.91 2.45 -2.03 3.49 5.12 -0.31 -4.97 116.66 118.51 3kbv n ARG 205 Ca 0.04 -2.19 -0.29 0.00 -1.93 0.00 0.00 57.85 53.48 3kbv n ARG 205 Cb 0.26 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 30.10 3kbv n ARG 205 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kbv s LEU 206 N -1.56 3.01 0.18 0.55 1.43 -0.79 -4.98 118.68 116.52 3kbv s LEU 206 Ca 0.37 1.02 -0.05 0.00 -1.03 0.00 0.00 54.13 54.44 3kbv s LEU 206 Cb 0.22 -3.84 0.07 0.00 0.03 0.00 0.00 46.19 42.68 3kbv s LEU 206 CO 0.31 -1.24 1.50 -0.33 0.23 0.00 0.00 176.35 176.82 3kbv h GLU 207 N -0.51 0.68 -2.79 1.70 4.39 -1.92 -3.35 114.58 112.78 3kbv h GLU 207 Ca -0.45 -0.40 -0.61 0.00 0.34 0.00 0.00 59.36 58.24 3kbv h GLU 207 Cb 1.25 0.03 -0.41 0.00 -0.10 0.00 0.00 28.75 29.52 3kbv h GLU 207 CO 0.63 1.01 -0.65 0.54 -1.16 0.00 0.00 179.01 179.39 3kbv n ARG 208 N -4.00 1.70 0.32 2.33 1.74 -1.26 -4.95 116.66 112.54 3kbv n ARG 208 Ca -0.03 -4.31 0.19 0.00 -0.77 0.00 0.00 57.85 52.93 3kbv n ARG 208 Cb 0.58 -2.16 1.05 0.00 -1.02 0.00 0.00 32.46 30.91 3kbv n ARG 208 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3kbv h PRO 209 N 5.15 0.00 0.00 5.56 0.11 -1.80 -1.90 132.00 139.12 3kbv h PRO 209 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3kbv h PRO 209 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3kbv h PRO 209 CO 0.68 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.53 3kbv h GLU 210 N 0.00 0.00 -0.00 1.05 9.09 -1.92 -2.07 114.58 120.72 3kbv h GLU 210 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3kbv h GLU 210 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 3kbv h GLU 210 CO 0.00 0.00 -0.16 1.28 0.05 0.00 0.00 179.01 180.18 3kbv n LEU 211 N -2.74 0.50 -4.22 3.06 4.77 -0.72 -4.89 117.00 112.77 3kbv n LEU 211 Ca 0.00 0.02 -0.29 0.00 -0.03 0.00 0.00 56.01 55.71 3kbv n LEU 211 Cb 0.21 -0.21 -0.16 0.00 -2.33 0.00 0.00 43.42 40.93 3kbv n LEU 211 CO 0.22 0.10 -0.54 -0.31 -1.33 0.00 0.00 177.39 175.52 3kbv s TYR 212 N -2.57 2.13 0.00 -1.77 1.51 -0.78 -0.34 117.35 115.53 3kbv s TYR 212 Ca 0.25 -0.60 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 3kbv s TYR 212 Cb 0.20 -1.41 0.00 0.00 -0.11 0.00 0.00 41.96 40.64 3kbv s TYR 212 CO 0.51 -0.18 0.00 0.41 -1.11 0.00 0.00 175.55 175.18 3kbv n GLY 213 N 2.97 5.78 3.49 0.71 0.00 0.50 -4.97 105.19 113.66 3kbv n GLY 213 Ca -0.17 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.04 3kbv n GLY 213 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kbv s VAL 214 N -0.46 2.65 -0.63 1.61 -7.23 -0.08 -0.97 120.40 115.30 3kbv s VAL 214 Ca 0.00 -2.05 0.05 0.00 -1.81 0.00 0.00 61.98 58.17 3kbv s VAL 214 Cb 0.00 -2.33 0.18 0.00 0.56 0.00 0.00 36.38 34.79 3kbv s VAL 214 CO 0.00 -0.21 0.48 -3.20 -0.31 0.00 0.00 175.10 171.86 3kbv n ASN 215 N -0.12 2.19 -4.79 4.85 5.15 0.01 -2.73 115.26 119.83 3kbv n ASN 215 Ca -0.10 -3.02 -0.34 0.00 -0.60 0.00 0.00 54.58 50.52 3kbv n ASN 215 Cb 0.57 -0.70 -0.02 0.00 -0.53 0.00 0.00 39.78 39.10 3kbv n ASN 215 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3kbv s PRO 216 N -1.18 3.67 -0.10 1.20 0.02 -1.26 -4.24 135.00 133.11 3kbv s PRO 216 Ca 0.28 1.43 0.04 0.00 0.02 0.00 0.00 61.00 62.76 3kbv s PRO 216 Cb -0.00 -2.07 -0.00 0.00 0.02 0.00 0.00 34.50 32.44 3kbv s PRO 216 CO -0.17 -0.55 -0.22 -2.00 -0.33 0.00 0.00 177.00 173.73 3kbv s GLU 217 N -3.26 3.05 0.17 5.54 2.12 -1.26 -0.70 118.70 124.36 3kbv s GLU 217 Ca 0.69 -0.85 -0.23 0.00 0.36 0.00 0.00 54.97 54.94 3kbv s GLU 217 Cb -0.18 -2.34 0.06 0.00 0.26 0.00 0.00 34.13 31.93 3kbv s GLU 217 CO 0.22 0.21 1.59 0.28 -0.54 0.00 0.00 175.26 177.02 3kbv h VAL 218 N 5.57 0.17 -0.05 3.70 2.07 -1.71 -1.63 116.25 124.37 3kbv h VAL 218 Ca -0.22 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 3kbv h VAL 218 Cb 1.23 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3kbv h VAL 218 CO 0.49 0.00 -0.27 1.23 0.02 0.00 0.00 177.57 179.04 3kbv h GLY 219 N -0.24 0.09 0.91 2.17 0.00 -1.87 -2.84 103.07 101.29 3kbv h GLY 219 Ca 0.18 -0.07 -0.11 0.00 0.00 0.00 0.00 47.33 47.34 3kbv h GLY 219 CO -0.61 0.06 -0.29 0.45 0.00 0.00 0.00 176.54 176.15 3kbv h HIS 220 N 0.08 0.73 -0.03 5.60 3.86 -1.64 -1.04 115.15 122.72 3kbv h HIS 220 Ca 0.01 -0.24 -0.08 0.00 -1.16 0.00 0.00 60.37 58.90 3kbv h HIS 220 Cb 0.52 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 3kbv h HIS 220 CO 0.00 0.96 -0.36 0.93 0.86 0.00 0.00 177.93 180.33 3kbv h GLU 221 N 0.29 0.06 0.00 2.45 4.39 -1.49 -2.04 114.58 118.24 3kbv h GLU 221 Ca 0.03 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3kbv h GLU 221 Cb 0.87 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 3kbv h GLU 221 CO 0.07 0.41 0.00 1.96 -1.16 0.00 0.00 179.01 180.29 3kbv h GLN 222 N 0.05 0.00 0.00 2.33 4.20 -1.19 -1.78 115.11 118.72 3kbv h GLN 222 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kbv h GLN 222 Cb 0.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3kbv h GLN 222 CO 0.05 0.00 0.00 -1.33 -0.67 0.00 0.00 178.83 176.88 3kbv n MET 223 N -2.62 0.14 -0.26 1.46 2.81 -0.44 -1.08 117.12 117.14 3kbv n MET 223 Ca 0.02 0.30 0.09 0.00 -1.81 0.00 0.00 57.70 56.30 3kbv n MET 223 Cb 0.30 -1.73 0.23 0.00 -0.71 0.00 0.00 33.22 31.31 3kbv n MET 223 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kbv n ALA 224 N -1.68 2.31 -1.22 3.04 0.00 -0.72 -4.71 120.51 117.52 3kbv n ALA 224 Ca 0.04 -1.17 -0.07 0.00 0.00 0.00 0.00 53.44 52.23 3kbv n ALA 224 Cb 0.27 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 3kbv n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbv n GLY 225 N 1.14 0.95 3.94 0.00 0.00 -0.24 -5.01 105.19 105.97 3kbv n GLY 225 Ca 0.18 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 3kbv n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kbv s LEU 226 N -1.69 3.63 -0.38 0.99 1.43 -0.88 -5.00 118.68 116.77 3kbv s LEU 226 Ca 0.00 0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 53.40 3kbv s LEU 226 Cb 0.00 -3.38 0.01 0.00 0.03 0.00 0.00 46.19 42.85 3kbv s LEU 226 CO 0.00 -0.68 0.61 0.21 0.23 0.00 0.00 176.35 176.72 3kbv s ASN 227 N -4.18 6.37 0.04 2.29 3.84 -1.26 -4.38 114.94 117.66 3kbv s ASN 227 Ca 0.48 -0.06 -0.23 0.00 0.21 0.00 0.00 52.86 53.25 3kbv s ASN 227 Cb -0.10 -2.31 -0.16 0.00 -0.55 0.00 0.00 41.25 38.13 3kbv s ASN 227 CO 0.40 -0.63 1.50 0.15 -2.79 0.00 0.00 177.10 175.73 3kbv h PHE 228 N 8.60 0.09 -0.90 0.43 3.57 -1.91 -2.15 116.94 124.67 3kbv h PHE 228 Ca -0.26 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.36 3kbv h PHE 228 Cb 1.11 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.75 3kbv h PHE 228 CO 0.74 0.32 0.58 -1.35 -2.23 0.00 0.00 178.31 176.36 3kbv h PRO 229 N -0.16 0.70 -0.53 6.41 0.11 -1.93 -0.30 132.00 136.30 3kbv h PRO 229 Ca 0.02 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 3kbv h PRO 229 Cb 0.27 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.20 3kbv h PRO 229 CO 0.00 0.46 0.30 0.45 -0.21 0.00 0.00 178.00 179.01 3kbv h HIS 230 N 0.72 0.72 -0.56 0.65 3.86 -1.89 -0.11 115.15 118.54 3kbv h HIS 230 Ca 0.45 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.61 3kbv h HIS 230 Cb 0.69 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 3kbv h HIS 230 CO -0.00 0.51 0.21 0.78 0.86 0.00 0.00 177.93 180.30 3kbv h GLY 231 N 0.71 0.90 1.23 2.45 0.00 -0.62 -1.31 103.07 106.44 3kbv h GLY 231 Ca 0.19 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3kbv h GLY 231 CO -0.03 0.47 0.32 -2.22 0.00 0.00 0.00 176.54 175.08 3kbv h ILE 232 N 0.77 1.23 -0.78 2.60 1.08 -0.94 -1.20 117.51 120.27 3kbv h ILE 232 Ca 0.19 -0.65 -0.04 0.00 -0.39 0.00 0.00 64.86 63.97 3kbv h ILE 232 Cb 0.21 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.28 3kbv h ILE 232 CO -0.01 0.27 0.32 0.00 -0.69 0.00 0.00 178.15 178.04 3kbv h ALA 233 N 1.37 1.11 -0.59 1.87 0.00 -0.55 0.13 119.26 122.60 3kbv h ALA 233 Ca 0.24 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3kbv h ALA 233 Cb 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3kbv h ALA 233 CO -0.03 0.64 -0.00 0.37 0.00 0.00 0.00 179.25 180.23 3kbv h GLN 234 N 1.12 1.03 -0.49 0.00 4.15 -0.63 -0.10 115.11 120.19 3kbv h GLN 234 Ca 0.26 -0.32 -0.05 0.00 0.77 0.00 0.00 58.65 59.31 3kbv h GLN 234 Cb 0.19 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 3kbv h GLN 234 CO -0.02 1.01 0.12 0.00 -1.93 0.00 0.00 178.83 178.00 3kbv h ALA 235 N 1.04 0.65 -0.72 3.38 0.00 -0.77 -1.90 119.26 120.94 3kbv h ALA 235 Ca 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3kbv h ALA 235 Cb 0.55 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3kbv h ALA 235 CO 0.03 0.34 0.37 -0.07 0.00 0.00 0.00 179.25 179.93 3kbv h LEU 236 N 0.67 0.92 -1.45 0.00 3.38 -0.56 -0.69 115.31 117.58 3kbv h LEU 236 Ca 0.15 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3kbv h LEU 236 Cb 0.33 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3kbv h LEU 236 CO 0.00 0.77 0.43 -0.25 0.09 0.00 0.00 178.44 179.48 3kbv h TRP 237 N 0.99 0.68 -0.00 1.13 7.01 -0.77 -1.53 115.95 123.46 3kbv h TRP 237 Ca 0.25 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.27 3kbv h TRP 237 Cb 0.07 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 26.91 3kbv h TRP 237 CO 0.00 0.37 -0.17 0.00 -2.79 0.00 0.00 178.44 175.86 3kbv n ALA 238 N -2.46 2.82 -2.26 2.65 0.00 -0.73 -4.93 120.51 115.61 3kbv n ALA 238 Ca 0.09 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.21 3kbv n ALA 238 Cb 0.20 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3kbv n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbv n GLY 239 N 1.38 0.11 0.00 0.00 0.00 -0.58 -4.96 105.19 101.14 3kbv n GLY 239 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3kbv n GLY 239 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kbv n LYS 240 N -1.79 2.39 -2.59 1.61 4.76 -0.30 -4.92 118.16 117.33 3kbv n LYS 240 Ca -0.08 -1.32 -0.41 0.00 -2.87 0.00 0.00 58.31 53.63 3kbv n LYS 240 Cb 0.56 -0.95 -0.03 0.00 -1.84 0.00 0.00 35.03 32.77 3kbv n LYS 240 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3kbv s LEU 241 N -0.82 3.58 0.22 -0.35 2.96 -1.22 -0.90 118.68 122.15 3kbv s LEU 241 Ca 0.00 -1.37 0.21 0.00 -0.22 0.00 0.00 54.13 52.75 3kbv s LEU 241 Cb 0.00 -2.56 0.04 0.00 0.50 0.00 0.00 46.19 44.17 3kbv s LEU 241 CO 0.00 -1.52 1.13 -0.26 -1.32 0.00 0.00 176.35 174.38 3kbv h PHE 242 N 9.76 0.00 -2.35 5.38 -1.00 -1.87 -3.49 116.94 123.37 3kbv h PHE 242 Ca 0.14 0.00 0.14 0.00 2.81 0.00 0.00 57.97 61.06 3kbv h PHE 242 Cb 1.02 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 40.47 3kbv h PHE 242 CO 1.25 0.14 0.47 -1.58 -1.61 0.00 0.00 178.31 176.99 3kbv s HIS 243 N -3.23 -0.23 -0.07 -0.55 2.46 -1.22 -4.87 115.29 107.58 3kbv s HIS 243 Ca 0.01 -0.01 -0.16 0.00 0.47 0.00 0.00 55.06 55.37 3kbv s HIS 243 Cb 0.08 0.60 0.03 0.00 -0.13 0.00 0.00 32.58 33.17 3kbv s HIS 243 CO 0.77 -0.73 0.38 -1.50 -2.47 0.00 0.00 174.74 171.19 3kbv s ILE 244 N -3.25 0.03 -0.22 0.89 2.07 -1.26 -4.08 121.20 115.38 3kbv s ILE 244 Ca 0.09 -0.25 -0.03 0.00 -1.41 0.00 0.00 60.65 59.04 3kbv s ILE 244 Cb -0.01 -0.63 -0.01 0.00 0.13 0.00 0.00 42.46 41.94 3kbv s ILE 244 CO -0.03 -0.14 -0.05 -1.81 -1.91 0.00 0.00 174.94 171.00 3kbv s ASP 245 N -0.74 4.21 -0.14 4.50 1.11 0.13 -3.40 116.67 122.33 3kbv s ASP 245 Ca -0.08 -0.41 -0.05 0.00 0.18 0.00 0.00 52.55 52.19 3kbv s ASP 245 Cb -0.04 -1.72 -0.04 0.00 1.07 0.00 0.00 42.92 42.20 3kbv s ASP 245 CO 0.03 -0.02 0.03 -0.76 1.18 0.00 0.00 175.17 175.64 3kbv s LEU 246 N 1.46 3.68 0.00 1.23 1.43 0.21 -2.01 118.68 124.68 3kbv s LEU 246 Ca 0.06 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 3kbv s LEU 246 Cb -0.14 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3kbv s LEU 246 CO -0.04 0.25 0.00 -0.46 0.23 0.00 0.00 176.35 176.33 3kbv n ASN 247 N 3.00 0.00 -4.17 2.29 0.23 -1.26 -2.45 115.26 112.90 3kbv n ASN 247 Ca -0.18 -0.61 -0.15 0.00 -0.53 0.00 0.00 54.58 53.11 3kbv n ASN 247 Cb 0.53 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.12 3kbv n ASN 247 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3kbv s GLY 248 N -1.30 0.83 -0.13 4.83 0.00 0.07 -4.48 107.32 107.14 3kbv s GLY 248 Ca 0.00 -1.14 -0.09 0.00 0.00 0.00 0.00 44.72 43.49 3kbv s GLY 248 CO 0.00 -1.21 0.33 1.62 0.00 0.00 0.00 173.10 173.84 3kbv s GLN 249 N -2.59 0.34 -1.10 2.90 2.00 -1.26 -1.01 119.66 118.93 3kbv s GLN 249 Ca 0.04 0.57 -0.08 0.00 -2.00 0.00 0.00 55.36 53.89 3kbv s GLN 249 Cb -0.04 0.04 0.28 0.00 0.80 0.00 0.00 33.01 34.09 3kbv s GLN 249 CO 0.00 -0.11 1.16 0.09 -0.50 0.00 0.00 175.29 175.93 3kbv n ASN 250 N 3.65 5.60 0.00 6.67 3.02 -1.26 -3.54 115.26 129.40 3kbv n ASN 250 Ca -0.19 -3.10 0.00 0.00 -0.03 0.00 0.00 54.58 51.26 3kbv n ASN 250 Cb 0.56 -1.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 3kbv n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kbv n GLY 251 N 2.47 -1.74 3.48 7.41 0.00 -1.26 -4.72 105.19 110.82 3kbv n GLY 251 Ca 0.24 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 3kbv n GLY 251 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kbv s ILE 252 N 0.00 4.49 0.00 -0.61 1.01 -1.26 -4.43 121.20 120.39 3kbv s ILE 252 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.53 3kbv s ILE 252 Cb 0.00 -4.53 0.00 0.00 0.01 0.00 0.00 42.46 37.94 3kbv s ILE 252 CO 0.00 -1.15 0.00 2.29 0.00 0.00 0.00 174.94 176.08 3kbv n LYS 253 N 7.22 0.00 -1.17 2.79 2.85 -1.26 -5.10 118.16 123.49 3kbv n LYS 253 Ca -0.02 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.89 3kbv n LYS 253 Cb 0.46 0.00 0.10 0.00 -0.65 0.00 0.00 35.03 34.94 3kbv n LYS 253 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 3kbv n TYR 254 N 0.00 0.29 -2.08 5.58 4.11 -1.26 -4.86 117.16 118.94 3kbv n TYR 254 Ca 0.00 0.37 -0.40 0.00 -0.00 0.00 0.00 57.90 57.86 3kbv n TYR 254 Cb 0.00 -2.02 -0.03 0.00 -0.00 0.00 0.00 39.34 37.30 3kbv n TYR 254 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 3kbv s ASP 255 N -1.82 5.62 0.07 9.48 2.15 -1.26 -4.89 116.67 126.02 3kbv s ASP 255 Ca 0.69 0.68 -0.07 0.00 0.43 0.00 0.00 52.55 54.28 3kbv s ASP 255 Cb -0.31 -2.53 -0.28 0.00 -0.30 0.00 0.00 42.92 39.50 3kbv s ASP 255 CO 0.54 -2.04 1.13 1.56 -0.17 0.00 0.00 175.17 176.19 3kbv h GLN 256 N 13.67 0.35 -6.18 4.34 4.20 -1.89 -3.48 115.11 126.12 3kbv h GLN 256 Ca -0.29 -0.57 -0.44 0.00 0.06 0.00 0.00 58.65 57.42 3kbv h GLN 256 Cb 1.15 0.21 0.03 0.00 0.30 0.00 0.00 27.48 29.17 3kbv h GLN 256 CO 1.15 1.26 -0.85 -0.25 -0.67 0.00 0.00 178.83 179.47 3kbv n ASP 257 N -3.60 -1.21 -4.79 1.46 9.92 -1.24 -4.65 116.55 112.45 3kbv n ASP 257 Ca -0.10 -0.87 -0.29 0.00 -0.53 0.00 0.00 54.79 52.99 3kbv n ASP 257 Cb 1.02 -3.81 0.11 0.00 -0.64 0.00 0.00 41.12 37.80 3kbv n ASP 257 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3kbv s LEU 258 N -6.71 2.32 0.69 0.64 1.43 -0.18 0.00 118.68 116.87 3kbv s LEU 258 Ca 0.03 1.18 -0.16 0.00 -1.03 0.00 0.00 54.13 54.15 3kbv s LEU 258 Cb -0.01 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.57 3kbv s LEU 258 CO 0.83 -2.27 1.23 0.00 0.23 0.00 0.00 176.35 176.37 3kbv s ARG 259 N -5.18 2.35 0.28 1.70 1.70 -1.26 -0.75 118.95 117.78 3kbv s ARG 259 Ca 0.62 1.86 -0.30 0.00 -0.47 0.00 0.00 55.73 57.44 3kbv s ARG 259 Cb -0.15 -1.85 -0.11 0.00 -0.57 0.00 0.00 34.95 32.27 3kbv s ARG 259 CO 0.54 -1.70 1.62 0.12 -1.08 0.00 0.00 175.30 174.80 3kbv s PHE 260 N -1.76 2.76 0.00 5.89 5.36 -1.26 -1.92 117.98 127.05 3kbv s PHE 260 Ca 0.77 0.70 0.00 0.00 -0.96 0.00 0.00 56.93 57.44 3kbv s PHE 260 Cb -0.32 -4.09 0.00 0.00 -0.34 0.00 0.00 43.02 38.27 3kbv s PHE 260 CO 0.42 -3.75 0.00 0.41 -1.46 0.00 0.00 175.22 170.84 3kbv n GLY 261 N 2.44 2.79 3.74 13.12 0.00 -1.26 -4.41 105.19 121.61 3kbv n GLY 261 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3kbv n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbv s ALA 262 N -2.72 1.44 0.00 4.61 0.00 -0.81 -4.36 121.76 119.92 3kbv s ALA 262 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.52 3kbv s ALA 262 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.05 3kbv s ALA 262 CO 0.00 -2.50 0.00 0.41 0.00 0.00 0.00 175.76 173.67 3kbv n GLY 263 N -1.72 0.35 3.41 0.00 0.00 -1.26 -4.16 105.19 101.81 3kbv n GLY 263 Ca 0.06 -0.75 -0.44 0.00 0.00 0.00 0.00 46.02 44.89 3kbv n GLY 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kbv s ASP 264 N -4.00 6.30 0.16 1.61 -1.08 -1.23 -4.89 116.67 113.54 3kbv s ASP 264 Ca 0.00 -1.48 -0.10 0.00 -0.52 0.00 0.00 52.55 50.44 3kbv s ASP 264 Cb 0.00 -2.35 0.02 0.00 -1.46 0.00 0.00 42.92 39.13 3kbv s ASP 264 CO 0.00 -1.18 1.58 0.25 0.52 0.00 0.00 175.17 176.34 3kbv h LEU 265 N 10.37 1.00 -1.07 -1.34 5.85 -1.82 -2.19 115.31 126.11 3kbv h LEU 265 Ca -0.18 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.13 3kbv h LEU 265 Cb 1.07 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3kbv h LEU 265 CO 1.11 1.12 0.10 0.03 -0.34 0.00 0.00 178.44 180.46 3kbv h ARG 266 N 0.86 0.76 -0.42 1.25 2.47 -1.94 -1.62 114.38 115.74 3kbv h ARG 266 Ca 0.13 -0.16 -0.04 0.00 -1.26 0.00 0.00 59.98 58.66 3kbv h ARG 266 Cb 0.68 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.87 3kbv h ARG 266 CO 0.05 0.70 0.11 0.00 0.56 0.00 0.00 179.97 181.39 3kbv h ALA 267 N 1.38 1.40 -0.64 0.04 0.00 -1.92 -1.07 119.26 118.45 3kbv h ALA 267 Ca 0.16 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3kbv h ALA 267 Cb 0.30 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3kbv h ALA 267 CO 0.00 0.44 0.11 0.00 0.00 0.00 0.00 179.25 179.80 3kbv h ALA 268 N 1.51 0.98 -0.08 0.00 0.00 -0.72 0.81 119.26 121.75 3kbv h ALA 268 Ca 0.14 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kbv h ALA 268 Cb 0.22 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kbv h ALA 268 CO -0.00 0.65 0.04 0.35 0.00 0.00 0.00 179.25 180.28 3kbv h PHE 269 N 0.99 0.12 0.00 0.00 3.57 -0.65 -1.02 116.94 119.94 3kbv h PHE 269 Ca 0.20 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 3kbv h PHE 269 Cb 0.41 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3kbv h PHE 269 CO 0.03 0.17 -0.37 -1.49 -2.23 0.00 0.00 178.31 174.43 3kbv h TRP 270 N 0.02 0.00 -0.16 0.41 4.06 -0.98 -1.02 115.95 118.29 3kbv h TRP 270 Ca 0.03 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.94 3kbv h TRP 270 Cb 0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.25 3kbv h TRP 270 CO -0.04 0.37 -0.04 1.25 -3.56 0.00 0.00 178.44 176.42 3kbv h LEU 271 N 0.00 0.31 -0.67 -4.49 5.85 -0.58 -2.10 115.31 113.63 3kbv h LEU 271 Ca -0.00 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 3kbv h LEU 271 Cb 0.77 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 3kbv h LEU 271 CO 0.05 0.61 0.33 0.58 -0.34 0.00 0.00 178.44 179.66 3kbv h VAL 272 N 0.01 1.22 -0.48 1.05 2.07 -0.84 0.19 116.25 119.47 3kbv h VAL 272 Ca 0.04 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 67.01 3kbv h VAL 272 Cb 0.47 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 3kbv h VAL 272 CO 0.02 0.26 0.13 -0.78 0.02 0.00 0.00 177.57 177.22 3kbv h ASP 273 N 0.93 0.09 -0.11 0.57 3.58 -1.18 -0.98 116.42 119.31 3kbv h ASP 273 Ca 0.23 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 3kbv h ASP 273 Cb 0.11 0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 3kbv h ASP 273 CO -0.03 0.08 0.01 0.25 -2.88 0.00 0.00 179.24 176.67 3kbv h LEU 274 N 0.29 0.19 -0.60 2.28 5.85 -0.85 -0.14 115.31 122.33 3kbv h LEU 274 Ca 0.24 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.71 3kbv h LEU 274 Cb 0.28 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3kbv h LEU 274 CO -0.27 0.43 0.32 -0.07 -0.34 0.00 0.00 178.44 178.51 3kbv h LEU 275 N -0.06 0.48 -0.18 2.25 3.38 -0.76 0.19 115.31 120.61 3kbv h LEU 275 Ca 0.03 0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.81 3kbv h LEU 275 Cb 0.33 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.03 3kbv h LEU 275 CO 0.00 0.32 -0.77 -0.33 0.09 0.00 0.00 178.44 177.76 3kbv h GLU 276 N 0.61 0.78 0.00 1.13 4.39 -1.17 -1.01 114.58 119.32 3kbv h GLU 276 Ca 0.26 -0.63 -0.11 0.00 0.34 0.00 0.00 59.36 59.22 3kbv h GLU 276 Cb 0.15 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 3kbv h GLU 276 CO -0.17 1.24 -0.53 0.66 -1.16 0.00 0.00 179.01 179.05 3kbv h SER 277 N 0.54 0.00 0.44 1.42 4.64 -0.81 -2.56 113.55 117.22 3kbv h SER 277 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3kbv h SER 277 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 3kbv h SER 277 CO 0.16 0.53 -0.09 0.00 -0.87 0.00 0.00 176.83 176.56 3kbv n ALA 278 N -2.27 2.69 -2.82 5.18 0.00 0.67 -4.91 120.51 119.05 3kbv n ALA 278 Ca 0.01 -0.23 -0.15 0.00 0.00 0.00 0.00 53.44 53.07 3kbv n ALA 278 Cb 0.69 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.79 3kbv n ALA 278 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbv n GLY 279 N 1.29 -0.13 3.67 0.00 0.00 -0.93 -4.94 105.19 104.15 3kbv n GLY 279 Ca 0.14 -0.15 -0.47 0.00 0.00 0.00 0.00 46.02 45.54 3kbv n GLY 279 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kbv n TYR 280 N -4.12 2.23 0.04 1.61 9.36 -0.43 -4.88 117.16 120.96 3kbv n TYR 280 Ca -0.07 0.23 0.04 0.00 3.32 0.00 0.00 57.90 61.42 3kbv n TYR 280 Cb 0.58 -2.56 0.09 0.00 -0.63 0.00 0.00 39.34 36.82 3kbv n TYR 280 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3kbv n SER 281 N 4.29 2.40 -2.39 2.98 3.41 -1.26 -4.92 113.62 118.12 3kbv n SER 281 Ca 0.19 -1.78 -0.06 0.00 -0.26 0.00 0.00 58.87 56.96 3kbv n SER 281 Cb 0.28 -0.12 0.04 0.00 -0.26 0.00 0.00 64.21 64.15 3kbv n SER 281 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kbv n GLY 282 N 0.38 -1.24 3.76 5.00 0.00 -1.26 -5.00 105.19 106.83 3kbv n GLY 282 Ca 0.08 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.06 3kbv n GLY 282 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kbv s PRO 283 N -3.59 3.22 -0.86 1.61 0.02 -1.26 -4.95 135.00 129.19 3kbv s PRO 283 Ca 0.15 1.86 -0.14 0.00 0.02 0.00 0.00 61.00 62.89 3kbv s PRO 283 Cb -0.00 -2.10 0.22 0.00 0.02 0.00 0.00 34.50 32.63 3kbv s PRO 283 CO 0.11 -1.02 0.83 1.03 -0.33 0.00 0.00 177.00 177.62 3kbv s ARG 284 N -3.12 3.65 -0.07 5.54 3.00 -0.30 -4.38 118.95 123.28 3kbv s ARG 284 Ca 0.73 -2.45 -0.16 0.00 0.00 0.00 0.00 55.73 53.85 3kbv s ARG 284 Cb -0.31 -4.49 -0.05 0.00 0.00 0.00 0.00 34.95 30.11 3kbv s ARG 284 CO 0.35 -1.33 0.42 -1.58 0.00 0.00 0.00 175.30 173.15 3kbv s HIS 285 N 0.31 3.60 -0.24 -0.53 2.46 -1.22 -0.98 115.29 118.69 3kbv s HIS 285 Ca 0.20 0.89 -0.08 0.00 0.47 0.00 0.00 55.06 56.55 3kbv s HIS 285 Cb -0.09 -2.40 -0.03 0.00 -0.13 0.00 0.00 32.58 29.92 3kbv s HIS 285 CO -0.09 0.40 0.09 -0.06 -2.47 0.00 0.00 174.74 172.60 3kbv s PHE 286 N -0.18 3.12 -0.68 3.88 0.08 0.35 0.66 117.98 125.22 3kbv s PHE 286 Ca 0.23 -0.27 -0.04 0.00 0.12 0.00 0.00 56.93 56.98 3kbv s PHE 286 Cb -0.15 -2.24 0.17 0.00 -0.57 0.00 0.00 43.02 40.23 3kbv s PHE 286 CO 0.11 -0.26 0.51 0.34 -0.10 0.00 0.00 175.22 175.82 3kbv s ASP 287 N 1.46 5.43 0.10 1.36 -1.08 -1.02 -3.47 116.67 119.44 3kbv s ASP 287 Ca 0.06 -2.97 -0.01 0.00 -0.52 0.00 0.00 52.55 49.11 3kbv s ASP 287 Cb -0.15 -1.89 -0.04 0.00 -1.46 0.00 0.00 42.92 39.38 3kbv s ASP 287 CO 0.04 -0.36 0.03 0.72 0.52 0.00 0.00 175.17 176.13 3kbv s PHE 288 N -0.23 0.72 -0.18 -5.34 -0.71 -1.26 -4.62 117.98 106.35 3kbv s PHE 288 Ca 0.18 -1.16 0.01 0.00 -1.04 0.00 0.00 56.93 54.93 3kbv s PHE 288 Cb -0.18 -0.43 0.03 0.00 -1.21 0.00 0.00 43.02 41.23 3kbv s PHE 288 CO -0.05 -0.47 -0.14 0.15 -1.34 0.00 0.00 175.22 173.36 3kbv s LYS 289 N -4.00 2.41 0.16 1.99 1.02 0.10 -4.43 119.74 116.99 3kbv s LYS 289 Ca 0.18 -0.80 -0.31 0.00 0.02 0.00 0.00 55.97 55.06 3kbv s LYS 289 Cb 0.08 -2.40 -0.10 0.00 -0.52 0.00 0.00 37.83 34.89 3kbv s LYS 289 CO -0.03 -0.32 1.51 -2.14 -0.92 0.00 0.00 175.35 173.45 3kbv s PRO 290 N 1.37 4.25 0.58 -1.68 0.02 -1.26 -4.70 135.00 133.57 3kbv s PRO 290 Ca 0.02 2.28 -0.19 0.00 0.02 0.00 0.00 61.00 63.13 3kbv s PRO 290 Cb -0.15 -3.17 -0.06 0.00 0.02 0.00 0.00 34.50 31.14 3kbv s PRO 290 CO -0.10 -0.54 0.84 -2.30 -0.33 0.00 0.00 177.00 174.57 3kbv n PRO 291 N 3.73 0.80 0.00 5.54 -0.02 -1.26 -4.84 135.00 138.95 3kbv n PRO 291 Ca 0.12 0.31 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 3kbv n PRO 291 Cb 0.40 -2.02 0.58 0.00 -0.02 0.00 0.00 33.50 32.43 3kbv n PRO 291 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3kbv n ARG 292 N -0.68 0.27 0.24 -0.52 1.85 -1.26 -1.60 116.66 114.96 3kbv n ARG 292 Ca 0.13 0.07 0.16 0.00 -1.00 0.00 0.00 57.85 57.21 3kbv n ARG 292 Cb 0.47 -1.50 0.76 0.00 -1.05 0.00 0.00 32.46 31.14 3kbv n ARG 292 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 3kbv h THR 293 N 0.00 0.00 -3.25 8.89 1.35 -1.97 -3.45 112.91 114.48 3kbv h THR 293 Ca 0.00 -0.24 -0.57 0.00 -0.55 0.00 0.00 66.41 65.05 3kbv h THR 293 Cb 0.26 1.09 -0.04 0.00 -1.73 0.00 0.00 68.15 67.74 3kbv h THR 293 CO 0.00 0.00 -0.22 -1.61 -0.25 0.00 0.00 175.52 173.44 3kbv s GLU 294 N -3.68 3.73 0.41 4.72 0.41 -0.63 -5.10 118.70 118.56 3kbv s GLU 294 Ca -0.00 0.13 -0.02 0.00 -0.41 0.00 0.00 54.97 54.67 3kbv s GLU 294 Cb 0.10 -2.83 0.09 0.00 -1.78 0.00 0.00 34.13 29.71 3kbv s GLU 294 CO 0.42 0.44 0.57 -0.40 -0.49 0.00 0.00 175.26 175.80 3kbv n ASP 295 N 0.26 0.61 0.20 -0.19 5.68 -1.26 -4.86 116.55 116.99 3kbv n ASP 295 Ca -0.03 -1.55 0.06 0.00 -0.50 0.00 0.00 54.79 52.77 3kbv n ASP 295 Cb 0.52 -0.38 0.54 0.00 -1.14 0.00 0.00 41.12 40.66 3kbv n ASP 295 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 3kbv h PHE 296 N -0.66 0.09 -0.94 2.11 0.04 -1.99 0.50 116.94 116.09 3kbv h PHE 296 Ca -0.19 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.59 3kbv h PHE 296 Cb 0.65 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.73 3kbv h PHE 296 CO 0.00 0.14 0.61 -0.44 -0.60 0.00 0.00 178.31 178.02 3kbv h ASP 297 N 0.10 1.09 -0.05 2.17 3.32 -2.00 -2.10 116.42 118.95 3kbv h ASP 297 Ca 0.02 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 3kbv h ASP 297 Cb 0.13 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3kbv h ASP 297 CO 0.01 0.80 -0.27 1.23 -1.72 0.00 0.00 179.24 179.29 3kbv h GLY 298 N 1.28 0.53 0.96 2.75 0.00 -1.32 -1.82 103.07 105.46 3kbv h GLY 298 Ca 0.34 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 47.24 3kbv h GLY 298 CO -0.07 0.40 0.15 -2.08 0.00 0.00 0.00 176.54 174.94 3kbv h VAL 299 N 0.43 1.04 0.00 4.60 2.07 -0.52 -0.92 116.25 122.95 3kbv h VAL 299 Ca 0.06 -0.11 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 3kbv h VAL 299 Cb 0.70 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3kbv h VAL 299 CO 0.05 0.06 -0.56 -0.50 0.02 0.00 0.00 177.57 176.64 3kbv h TRP 300 N 0.31 0.00 -0.57 1.57 -0.00 -1.27 -1.61 115.95 114.37 3kbv h TRP 300 Ca 0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 58.88 3kbv h TRP 300 Cb -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.13 3kbv h TRP 300 CO -0.07 0.56 -0.05 0.00 -0.00 0.00 0.00 178.44 178.88 3kbv h ALA 301 N 1.44 0.78 -0.41 1.49 0.00 -1.09 -0.73 119.26 120.73 3kbv h ALA 301 Ca -0.01 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3kbv h ALA 301 Cb 1.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3kbv h ALA 301 CO 0.07 0.66 0.06 1.03 0.00 0.00 0.00 179.25 181.07 3kbv h SER 302 N 0.94 0.66 -0.72 0.00 0.87 -0.85 -0.30 113.55 114.15 3kbv h SER 302 Ca 0.16 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 3kbv h SER 302 Cb 0.62 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 3kbv h SER 302 CO 0.04 0.75 0.36 0.00 -0.53 0.00 0.00 176.83 177.45 3kbv h ALA 303 N 0.93 0.93 -0.68 6.23 0.00 -1.20 -2.44 119.26 123.03 3kbv h ALA 303 Ca 0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3kbv h ALA 303 Cb 0.38 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3kbv h ALA 303 CO 0.01 0.48 0.23 0.00 0.00 0.00 0.00 179.25 179.97 3kbv h ALA 304 N 1.18 1.12 -0.66 0.00 0.00 -0.99 -2.80 119.26 117.11 3kbv h ALA 304 Ca 0.25 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kbv h ALA 304 Cb 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3kbv h ALA 304 CO -0.03 0.61 0.44 0.78 0.00 0.00 0.00 179.25 181.04 3kbv h GLY 305 N 1.07 0.93 0.18 0.00 0.00 -0.68 -1.31 103.07 103.26 3kbv h GLY 305 Ca 0.22 -0.35 0.08 0.00 0.00 0.00 0.00 47.33 47.29 3kbv h GLY 305 CO -0.01 0.34 -0.11 0.00 0.00 0.00 0.00 176.54 176.76 3kbv h MET 307 N -0.02 0.53 -0.38 0.00 2.86 -1.42 -2.55 114.93 113.95 3kbv h MET 307 Ca 0.19 -0.37 0.06 0.00 -2.06 0.00 0.00 59.70 57.52 3kbv h MET 307 Cb 0.31 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 3kbv h MET 307 CO -0.42 0.99 0.07 -0.09 1.06 0.00 0.00 176.91 178.53 3kbv h ARG 308 N 0.15 0.19 -0.35 1.72 2.43 -1.14 -1.57 114.38 115.81 3kbv h ARG 308 Ca -0.01 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 3kbv h ARG 308 Cb 1.02 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 3kbv h ARG 308 CO 0.09 0.13 -0.29 -0.91 -1.51 0.00 0.00 179.97 177.47 3kbv h ASN 309 N 0.19 0.77 -0.36 -3.80 2.35 -1.04 0.27 115.58 113.97 3kbv h ASN 309 Ca 0.18 -0.30 0.05 0.00 -0.55 0.00 0.00 56.30 55.68 3kbv h ASN 309 Cb 0.22 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 3kbv h ASN 309 CO -0.25 1.01 0.07 0.22 -1.65 0.00 0.00 177.43 176.83 3kbv h TYR 310 N 0.63 0.11 -0.06 1.19 5.03 -1.19 -1.37 116.97 121.32 3kbv h TYR 310 Ca 0.08 0.02 -0.13 0.00 2.58 0.00 0.00 58.73 61.28 3kbv h TYR 310 Cb 0.81 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.08 3kbv h TYR 310 CO 0.04 0.02 -0.55 -0.07 -1.32 0.00 0.00 178.16 176.28 3kbv h LEU 311 N 0.19 0.20 -0.17 2.82 3.38 -0.45 -0.24 115.31 121.05 3kbv h LEU 311 Ca 0.17 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3kbv h LEU 311 Cb 0.19 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3kbv h LEU 311 CO -0.22 0.71 0.01 0.40 0.09 0.00 0.00 178.44 179.43 3kbv h ILE 312 N 0.14 1.25 -0.39 1.22 2.04 -0.82 -2.30 117.51 118.65 3kbv h ILE 312 Ca -0.00 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 3kbv h ILE 312 Cb 1.02 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 3kbv h ILE 312 CO 0.08 0.25 0.11 -0.07 0.00 0.00 0.00 178.15 178.51 3kbv h LEU 313 N 0.04 0.52 -0.72 1.44 3.38 -1.03 -1.44 115.31 117.50 3kbv h LEU 313 Ca 0.05 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kbv h LEU 313 Cb 0.37 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3kbv h LEU 313 CO 0.01 0.52 0.47 0.50 0.09 0.00 0.00 178.44 180.03 3kbv h LYS 314 N 0.56 0.96 -0.33 1.13 3.64 -0.94 0.97 116.57 122.57 3kbv h LYS 314 Ca 0.13 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3kbv h LYS 314 Cb 0.20 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3kbv h LYS 314 CO -0.01 0.65 0.11 1.49 -2.27 0.00 0.00 179.45 179.42 3kbv h GLU 315 N 0.98 0.52 -0.47 1.90 4.81 -0.81 -1.42 114.58 120.10 3kbv h GLU 315 Ca 0.26 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 3kbv h GLU 315 Cb -0.09 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 3kbv h GLU 315 CO -0.06 0.54 -0.17 0.00 -0.73 0.00 0.00 179.01 178.60 3kbv h ARG 316 N 0.39 0.90 -0.38 1.92 2.47 -0.98 -1.42 114.38 117.28 3kbv h ARG 316 Ca 0.11 -0.35 -0.13 0.00 -1.26 0.00 0.00 59.98 58.35 3kbv h ARG 316 Cb 0.24 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 3kbv h ARG 316 CO -0.00 1.00 -0.27 0.00 0.56 0.00 0.00 179.97 181.26 3kbv h ALA 317 N 1.01 0.81 -0.62 0.04 0.00 -0.72 -1.32 119.26 118.46 3kbv h ALA 317 Ca 0.12 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3kbv h ALA 317 Cb 0.71 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3kbv h ALA 317 CO 0.05 0.64 0.14 0.00 0.00 0.00 0.00 179.25 180.09 3kbv h ALA 318 N 1.02 0.81 -0.80 0.00 0.00 -1.11 -1.49 119.26 117.70 3kbv h ALA 318 Ca 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3kbv h ALA 318 Cb 0.80 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3kbv h ALA 318 CO 0.07 0.53 0.38 0.00 0.00 0.00 0.00 179.25 180.22 3kbv h ALA 319 N 1.04 1.16 -0.16 0.00 0.00 -1.09 -0.90 119.26 119.31 3kbv h ALA 319 Ca 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kbv h ALA 319 Cb 0.36 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kbv h ALA 319 CO 0.00 0.64 0.09 0.35 0.00 0.00 0.00 179.25 180.33 3kbv h PHE 320 N 1.14 0.21 0.00 0.00 3.57 -0.94 -2.31 116.94 118.61 3kbv h PHE 320 Ca 0.27 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 3kbv h PHE 320 Cb 0.12 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 3kbv h PHE 320 CO 0.01 0.19 -0.14 0.00 -2.23 0.00 0.00 178.31 176.15 3kbv h ARG 321 N 0.18 0.00 0.00 1.11 2.47 -0.96 -3.04 114.38 114.13 3kbv h ARG 321 Ca 0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3kbv h ARG 321 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 3kbv h ARG 321 CO -0.01 0.14 -0.41 0.00 0.56 0.00 0.00 179.97 180.25 3kbv h ALA 322 N 1.86 0.74 -2.27 0.04 0.00 -0.95 -3.44 119.26 115.24 3kbv h ALA 322 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3kbv h ALA 322 Cb 0.86 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3kbv h ALA 322 CO 0.02 0.00 0.90 0.34 0.00 0.00 0.00 179.25 180.51 3kbv s ASP 323 N -4.67 6.86 0.49 0.00 -1.08 -0.89 -4.90 116.67 112.48 3kbv s ASP 323 Ca 0.07 1.97 0.18 0.00 -0.52 0.00 0.00 52.55 54.25 3kbv s ASP 323 Cb 0.12 -2.55 1.20 0.00 -1.46 0.00 0.00 42.92 40.23 3kbv s ASP 323 CO 0.69 -0.76 2.06 -0.65 0.52 0.00 0.00 175.17 177.02 3kbv h PRO 324 N 8.29 0.00 -0.44 4.34 0.11 -1.90 -0.02 132.00 142.38 3kbv h PRO 324 Ca -0.34 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.72 3kbv h PRO 324 Cb 1.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3kbv h PRO 324 CO 0.93 0.12 0.04 1.49 -0.21 0.00 0.00 178.00 180.38 3kbv h GLU 325 N 0.00 0.69 -0.22 1.05 4.81 -1.95 -0.56 114.58 118.40 3kbv h GLU 325 Ca -0.00 -0.15 -0.18 0.00 -0.13 0.00 0.00 59.36 58.90 3kbv h GLU 325 Cb 0.23 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3kbv h GLU 325 CO 0.02 0.68 -0.55 0.28 -0.73 0.00 0.00 179.01 178.70 3kbv h VAL 326 N 0.66 1.30 -0.70 0.32 2.07 -1.32 -1.27 116.25 117.31 3kbv h VAL 326 Ca 0.14 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.90 3kbv h VAL 326 Cb 0.35 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 3kbv h VAL 326 CO 0.01 0.56 0.44 1.56 0.02 0.00 0.00 177.57 180.16 3kbv h GLN 327 N 0.49 0.93 -0.54 1.57 4.20 -1.06 0.78 115.11 121.48 3kbv h GLN 327 Ca -0.01 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 3kbv h GLN 327 Cb 1.17 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 3kbv h GLN 327 CO 0.12 0.63 0.06 1.49 -0.67 0.00 0.00 178.83 180.46 3kbv h GLU 328 N 0.95 0.91 -0.46 1.46 4.81 -0.96 -2.44 114.58 118.85 3kbv h GLU 328 Ca 0.25 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3kbv h GLU 328 Cb -0.07 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 3kbv h GLU 328 CO -0.05 0.90 0.13 0.00 -0.73 0.00 0.00 179.01 179.26 3kbv h ALA 329 N 0.98 1.37 -0.61 2.92 0.00 -0.44 -0.12 119.26 123.35 3kbv h ALA 329 Ca 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3kbv h ALA 329 Cb 0.45 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3kbv h ALA 329 CO 0.02 0.46 0.23 -0.07 0.00 0.00 0.00 179.25 179.88 3kbv h LEU 330 N 0.67 0.85 -0.74 0.00 3.38 -0.70 -0.67 115.31 118.11 3kbv h LEU 330 Ca 0.15 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 3kbv h LEU 330 Cb 0.22 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3kbv h LEU 330 CO -0.01 0.80 -0.18 0.03 0.09 0.00 0.00 178.44 179.18 3kbv h ARG 331 N 0.85 0.78 -0.28 1.13 3.08 -0.93 -1.39 114.38 117.61 3kbv h ARG 331 Ca 0.20 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3kbv h ARG 331 Cb 0.23 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3kbv h ARG 331 CO -0.01 0.90 0.04 0.00 -1.07 0.00 0.00 179.97 179.83 3kbv h ALA 332 N 1.11 1.55 -0.21 0.04 0.00 -0.42 -1.83 119.26 119.50 3kbv h ALA 332 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kbv h ALA 332 Cb 0.68 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3kbv h ALA 332 CO 0.05 0.34 0.00 0.43 0.00 0.00 0.00 179.25 180.07 3kbv n SER 333 N -4.35 1.61 -2.92 0.00 7.64 -0.31 -4.80 113.62 110.48 3kbv n SER 333 Ca 0.01 -1.78 -0.22 0.00 1.01 0.00 0.00 58.87 57.89 3kbv n SER 333 Cb 0.19 -0.13 0.03 0.00 -1.01 0.00 0.00 64.21 63.28 3kbv n SER 333 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3kbv n ARG 334 N 0.31 -4.38 0.26 1.43 3.00 -0.69 -4.90 116.66 111.69 3kbv n ARG 334 Ca 0.14 0.93 0.09 0.00 -0.01 0.00 0.00 57.85 59.01 3kbv n ARG 334 Cb 0.30 -5.77 0.68 0.00 0.00 0.00 0.00 32.46 27.67 3kbv n ARG 334 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3kbv h LEU 335 N -1.16 0.00 -0.79 0.55 -0.00 -1.51 -2.18 115.31 110.22 3kbv h LEU 335 Ca -0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.32 3kbv h LEU 335 Cb 1.37 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.99 3kbv h LEU 335 CO 0.58 0.00 0.36 -2.24 -0.00 0.00 0.00 178.44 177.14 3kbv h ASP 336 N 0.00 1.05 0.36 -0.43 2.03 -1.88 -2.75 116.42 114.80 3kbv h ASP 336 Ca -0.00 -0.15 -0.09 0.00 -0.73 0.00 0.00 57.03 56.07 3kbv h ASP 336 Cb 0.00 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.22 3kbv h ASP 336 CO 0.00 0.90 -0.39 -0.33 -1.03 0.00 0.00 179.24 178.39 3kbv h GLU 337 N 1.12 0.04 -0.36 4.15 5.08 -1.79 -2.75 114.58 120.06 3kbv h GLU 337 Ca 0.27 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 3kbv h GLU 337 Cb 0.15 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3kbv h GLU 337 CO -0.03 0.43 0.10 1.25 -1.00 0.00 0.00 179.01 179.76 3kbv h LEU 338 N 0.04 0.48 -0.01 1.33 5.85 -1.13 -2.07 115.31 119.81 3kbv h LEU 338 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3kbv h LEU 338 Cb 0.71 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3kbv h LEU 338 CO 0.05 0.48 -0.00 0.00 -0.34 0.00 0.00 178.44 178.63 3kbv n ALA 339 N -2.48 2.53 -2.62 1.25 0.00 -1.04 -4.80 120.51 113.34 3kbv n ALA 339 Ca 0.02 -0.16 -0.36 0.00 0.00 0.00 0.00 53.44 52.94 3kbv n ALA 339 Cb 0.18 -1.49 -0.06 0.00 0.00 0.00 0.00 19.45 18.08 3kbv n ALA 339 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kbv s ARG 340 N -2.47 3.74 0.42 0.00 0.52 -0.78 -5.04 118.95 115.34 3kbv s ARG 340 Ca 0.32 0.18 -0.25 0.00 -0.52 0.00 0.00 55.73 55.46 3kbv s ARG 340 Cb 0.21 -3.13 -0.10 0.00 0.52 0.00 0.00 34.95 32.45 3kbv s ARG 340 CO 0.45 0.66 1.20 -2.30 0.02 0.00 0.00 175.30 175.33 3kbv n PRO 341 N 1.47 1.76 -0.21 3.54 -0.02 -1.26 -4.89 135.00 135.39 3kbv n PRO 341 Ca -0.13 0.63 -0.08 0.00 -2.02 0.00 0.00 63.50 61.90 3kbv n PRO 341 Cb 0.53 -2.29 0.04 0.00 -0.02 0.00 0.00 33.50 31.76 3kbv n PRO 341 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3kbv h THR 342 N 1.92 1.26 -0.84 3.45 2.02 -1.93 -3.40 112.91 115.40 3kbv h THR 342 Ca -0.47 -1.11 -0.35 0.00 0.77 0.00 0.00 66.41 65.25 3kbv h THR 342 Cb 1.31 0.74 -0.25 0.00 -1.74 0.00 0.00 68.15 68.21 3kbv h THR 342 CO 0.59 0.41 -0.76 0.00 0.37 0.00 0.00 175.52 176.13 3kbv n ALA 343 N -2.48 0.34 0.31 6.16 0.00 -1.26 -4.91 120.51 118.67 3kbv n ALA 343 Ca 0.03 -2.27 0.20 0.00 0.00 0.00 0.00 53.44 51.40 3kbv n ALA 343 Cb 0.33 -1.08 0.98 0.00 0.00 0.00 0.00 19.45 19.68 3kbv n ALA 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kbv h ALA 344 N 3.25 1.05 0.00 0.00 0.00 -1.98 -1.24 119.26 120.34 3kbv h ALA 344 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kbv h ALA 344 Cb 1.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3kbv h ALA 344 CO 0.31 0.02 0.00 0.38 0.00 0.00 0.00 179.25 179.96 3kbv h ASP 345 N 0.00 0.00 -4.85 0.00 2.03 -1.96 -3.49 116.42 108.15 3kbv h ASP 345 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3kbv h ASP 345 Cb 0.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.71 3kbv h ASP 345 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 3kbv n GLY 346 N -0.03 0.93 0.16 7.15 0.00 -0.47 -4.38 105.19 108.55 3kbv n GLY 346 Ca 0.01 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 3kbv n GLY 346 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kbv h LEU 347 N 0.00 0.43 -0.44 0.99 5.85 -1.95 -1.43 115.31 118.75 3kbv h LEU 347 Ca 0.00 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 3kbv h LEU 347 Cb 0.00 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3kbv h LEU 347 CO 0.00 0.39 0.01 -0.61 -0.34 0.00 0.00 178.44 177.89 3kbv h GLN 348 N 0.43 0.78 -0.19 1.25 5.75 -1.99 0.20 115.11 121.32 3kbv h GLN 348 Ca 0.12 -0.24 -0.07 0.00 -0.15 0.00 0.00 58.65 58.31 3kbv h GLN 348 Cb 0.06 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 3kbv h GLN 348 CO -0.02 0.84 -0.18 0.00 -2.65 0.00 0.00 178.83 176.82 3kbv h ALA 349 N 0.91 1.34 -0.47 3.38 0.00 -1.74 -0.76 119.26 121.92 3kbv h ALA 349 Ca 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3kbv h ALA 349 Cb 0.48 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3kbv h ALA 349 CO 0.02 0.45 0.22 1.25 0.00 0.00 0.00 179.25 181.19 3kbv h LEU 350 N 0.30 0.63 -1.74 0.00 5.85 -0.82 -0.95 115.31 118.58 3kbv h LEU 350 Ca 0.06 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 3kbv h LEU 350 Cb 0.49 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3kbv h LEU 350 CO 0.03 0.59 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.57 3kbv h LEU 351 N 0.62 0.06 -0.74 2.25 3.38 -0.25 -2.24 115.31 118.39 3kbv h LEU 351 Ca 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3kbv h LEU 351 Cb 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3kbv h LEU 351 CO -0.02 0.15 -0.33 0.47 0.09 0.00 0.00 178.44 178.80 3kbv n ASP 352 N -4.41 1.49 -4.55 -0.43 8.00 -0.36 -4.83 116.55 111.47 3kbv n ASP 352 Ca -0.02 -1.19 -0.41 0.00 0.71 0.00 0.00 54.79 53.88 3kbv n ASP 352 Cb 0.18 0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.51 3kbv n ASP 352 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kbv s ASP 353 N -2.46 6.20 0.48 -2.24 -1.08 -0.38 -4.86 116.67 112.31 3kbv s ASP 353 Ca 0.23 -0.42 0.26 0.00 -0.52 0.00 0.00 52.55 52.09 3kbv s ASP 353 Cb 0.19 -2.55 1.15 0.00 -1.46 0.00 0.00 42.92 40.25 3kbv s ASP 353 CO 0.53 -1.76 1.93 0.03 0.52 0.00 0.00 175.17 176.41 3kbv h ARG 354 N 9.93 0.00 0.00 4.34 3.08 -1.88 -1.20 114.38 128.65 3kbv h ARG 354 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3kbv h ARG 354 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3kbv h ARG 354 CO 1.26 0.18 0.00 -1.13 -1.07 0.00 0.00 179.97 179.21 3kbv n SER 355 N -3.46 0.06 -0.11 7.04 3.41 -1.26 -0.93 113.62 118.36 3kbv n SER 355 Ca -0.01 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.25 3kbv n SER 355 Cb 0.35 -0.53 0.39 0.00 -0.26 0.00 0.00 64.21 64.17 3kbv n SER 355 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kbv n ALA 356 N -1.52 3.13 0.01 7.33 0.00 -0.45 -4.00 120.51 125.01 3kbv n ALA 356 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3kbv n ALA 356 Cb 0.16 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3kbv n ALA 356 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kbv n PHE 357 N -1.10 -2.50 -0.19 0.00 7.35 -0.98 -4.81 117.46 115.24 3kbv n PHE 357 Ca 0.10 0.08 -0.00 0.00 -0.76 0.00 0.00 57.45 56.86 3kbv n PHE 357 Cb 0.33 0.65 0.08 0.00 0.35 0.00 0.00 39.48 40.89 3kbv n PHE 357 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3kbv h GLU 358 N 0.00 0.11 -0.10 -4.13 3.07 -1.80 -2.65 114.58 109.09 3kbv h GLU 358 Ca 0.00 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 3kbv h GLU 358 Cb 0.00 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 3kbv h GLU 358 CO 0.00 0.08 -0.29 0.39 -1.40 0.00 0.00 179.01 177.78 3kbv n GLU 359 N -5.26 1.66 -2.57 2.33 1.02 -0.11 -4.99 120.64 112.72 3kbv n GLU 359 Ca 0.08 -3.14 -0.42 0.00 -0.02 0.00 0.00 57.16 53.66 3kbv n GLU 359 Cb 0.32 -1.66 -0.03 0.00 -0.02 0.00 0.00 31.44 30.05 3kbv n GLU 359 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3kbv s PHE 360 N -3.16 3.45 -0.96 -0.32 5.36 -1.00 -4.80 117.98 116.54 3kbv s PHE 360 Ca 0.39 1.45 -0.22 0.00 -0.96 0.00 0.00 56.93 57.59 3kbv s PHE 360 Cb 0.36 -3.29 0.07 0.00 -0.34 0.00 0.00 43.02 39.82 3kbv s PHE 360 CO -0.03 -0.70 1.35 0.34 -1.46 0.00 0.00 175.22 174.71 3kbv s ASP 361 N 1.17 6.48 0.32 6.13 -1.08 -1.26 -4.84 116.67 123.59 3kbv s ASP 361 Ca 0.54 -1.47 0.10 0.00 -0.52 0.00 0.00 52.55 51.20 3kbv s ASP 361 Cb -0.23 -2.53 0.53 0.00 -1.46 0.00 0.00 42.92 39.23 3kbv s ASP 361 CO 0.24 -1.44 1.72 -0.37 0.52 0.00 0.00 175.17 175.84 3kbv h VAL 362 N 6.49 1.34 -0.40 1.11 -1.51 -1.96 -2.32 116.25 119.01 3kbv h VAL 362 Ca 0.13 -1.63 -0.16 0.00 -1.23 0.00 0.00 66.70 63.81 3kbv h VAL 362 Cb 1.02 1.85 -0.01 0.00 -2.13 0.00 0.00 31.29 32.02 3kbv h VAL 362 CO 1.34 0.47 -0.36 0.44 -1.23 0.00 0.00 177.57 178.23 3kbv h ASP 363 N 0.05 1.01 -0.58 4.19 3.32 -1.99 -0.67 116.42 121.74 3kbv h ASP 363 Ca -0.00 -0.46 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 3kbv h ASP 363 Cb 0.85 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 3kbv h ASP 363 CO 0.06 1.26 0.11 0.00 -1.72 0.00 0.00 179.24 178.95 3kbv h ALA 364 N 0.78 0.77 -0.53 3.45 0.00 -1.93 -2.06 119.26 119.75 3kbv h ALA 364 Ca 0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3kbv h ALA 364 Cb 0.96 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3kbv h ALA 364 CO 0.09 0.51 0.21 0.00 0.00 0.00 0.00 179.25 180.06 3kbv h ALA 365 N 1.02 0.69 -0.10 0.00 0.00 -1.20 -2.74 119.26 116.92 3kbv h ALA 365 Ca 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3kbv h ALA 365 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kbv h ALA 365 CO 0.01 0.30 -0.11 0.00 0.00 0.00 0.00 179.25 179.44 3kbv h ALA 366 N 1.06 1.63 0.00 0.00 0.00 -0.97 -2.40 119.26 118.57 3kbv h ALA 366 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kbv h ALA 366 Cb 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kbv h ALA 366 CO -0.01 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3kbv n ALA 367 N -2.50 1.92 -2.34 0.00 0.00 -0.79 -4.75 120.51 112.05 3kbv n ALA 367 Ca -0.01 0.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3kbv n ALA 367 Cb 0.23 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 3kbv n ALA 367 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kbv s ARG 368 N -3.16 4.14 0.53 0.00 0.52 -0.91 -4.99 118.95 115.07 3kbv s ARG 368 Ca 0.08 1.68 -0.19 0.00 -0.52 0.00 0.00 55.73 56.77 3kbv s ARG 368 Cb 0.11 -3.84 -0.07 0.00 0.52 0.00 0.00 34.95 31.68 3kbv s ARG 368 CO 0.45 -0.84 1.06 0.20 0.02 0.00 0.00 175.30 176.18 3kbv s GLY 369 N 2.49 2.41 0.05 -3.53 0.00 -1.26 -4.95 107.32 102.54 3kbv s GLY 369 Ca 0.59 0.57 0.26 0.00 0.00 0.00 0.00 44.72 46.14 3kbv s GLY 369 CO 0.19 0.89 1.52 1.03 0.00 0.00 0.00 173.10 176.74 3kbv n MET 370 N -1.33 0.10 -2.61 2.90 0.00 -1.26 -4.95 117.12 109.98 3kbv n MET 370 Ca 0.09 0.04 -0.19 0.00 0.00 0.00 0.00 57.70 57.65 3kbv n MET 370 Cb 0.52 -1.58 0.00 0.00 0.00 0.00 0.00 33.22 32.17 3kbv n MET 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kbv n ALA 371 N -1.62 -0.77 0.17 3.04 0.00 -1.26 -4.18 120.51 115.89 3kbv n ALA 371 Ca 0.05 0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.70 3kbv n ALA 371 Cb 0.37 -2.37 0.24 0.00 0.00 0.00 0.00 19.45 17.69 3kbv n ALA 371 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3kbv h PHE 372 N -0.34 0.00 -0.19 0.00 0.04 -1.96 -3.12 116.94 111.36 3kbv h PHE 372 Ca -0.44 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.13 3kbv h PHE 372 Cb 1.32 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.47 3kbv h PHE 372 CO 0.60 0.45 -0.66 0.93 -0.60 0.00 0.00 178.31 179.04 3kbv h GLU 373 N 0.00 0.78 -0.53 1.51 4.39 -1.99 -0.53 114.58 118.21 3kbv h GLU 373 Ca -0.00 -0.59 -0.01 0.00 0.34 0.00 0.00 59.36 59.10 3kbv h GLU 373 Cb 1.06 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 3kbv h GLU 373 CO 0.06 1.20 0.28 -0.09 -1.16 0.00 0.00 179.01 179.31 3kbv h ARG 374 N 0.52 0.75 -0.55 2.33 2.43 -1.98 -0.77 114.38 117.11 3kbv h ARG 374 Ca -0.03 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.07 3kbv h ARG 374 Cb 1.28 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 3kbv h ARG 374 CO 0.14 0.59 0.33 1.25 -1.51 0.00 0.00 179.97 180.77 3kbv h LEU 375 N 0.71 0.54 -1.19 3.80 5.85 -1.46 -0.88 115.31 122.67 3kbv h LEU 375 Ca 0.19 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 3kbv h LEU 375 Cb 0.07 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3kbv h LEU 375 CO -0.03 0.38 -0.36 -0.78 -0.34 0.00 0.00 178.44 177.31 3kbv h ASP 376 N 0.66 0.08 0.49 1.25 3.58 -0.75 -1.20 116.42 120.52 3kbv h ASP 376 Ca 0.22 -0.03 -0.17 0.00 0.42 0.00 0.00 57.03 57.48 3kbv h ASP 376 Cb 0.02 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3kbv h ASP 376 CO -0.10 0.44 -0.73 -0.61 -2.88 0.00 0.00 179.24 175.36 3kbv h GLN 377 N 0.07 0.20 -0.94 0.28 5.75 -0.62 -0.28 115.11 119.57 3kbv h GLN 377 Ca 0.01 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.33 3kbv h GLN 377 Cb 0.67 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.21 3kbv h GLN 377 CO 0.05 0.84 0.56 -0.07 -2.65 0.00 0.00 178.83 177.57 3kbv h LEU 378 N 0.13 1.13 -0.65 -2.39 3.38 -0.68 -0.12 115.31 116.11 3kbv h LEU 378 Ca -0.02 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 3kbv h LEU 378 Cb 1.29 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 3kbv h LEU 378 CO 0.11 0.87 0.10 0.00 0.09 0.00 0.00 178.44 179.62 3kbv h ALA 379 N 1.31 0.87 -0.18 1.53 0.00 -0.85 -1.39 119.26 120.55 3kbv h ALA 379 Ca 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kbv h ALA 379 Cb -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3kbv h ALA 379 CO -0.06 0.63 0.12 1.98 0.00 0.00 0.00 179.25 181.92 3kbv h MET 380 N 1.00 0.24 -0.55 0.00 1.85 -0.70 -0.34 114.93 116.42 3kbv h MET 380 Ca 0.20 -0.01 0.05 0.00 -0.61 0.00 0.00 59.70 59.33 3kbv h MET 380 Cb 0.44 -0.05 -0.05 0.00 0.43 0.00 0.00 31.60 32.37 3kbv h MET 380 CO 0.01 0.16 0.27 -0.44 -0.40 0.00 0.00 176.91 176.51 3kbv h ASP 381 N 0.24 0.38 -0.31 1.39 3.32 -0.86 -0.99 116.42 119.60 3kbv h ASP 381 Ca 0.07 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3kbv h ASP 381 Cb -0.03 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3kbv h ASP 381 CO -0.01 0.26 0.16 0.45 -1.72 0.00 0.00 179.24 178.37 3kbv h HIS 382 N 0.52 0.43 -0.82 4.55 3.86 -1.03 0.70 115.15 123.36 3kbv h HIS 382 Ca 0.25 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.49 3kbv h HIS 382 Cb 0.17 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 28.45 3kbv h HIS 382 CO -0.11 0.36 0.51 1.25 0.86 0.00 0.00 177.93 180.80 3kbv h LEU 383 N 0.37 0.82 -0.67 2.43 5.85 -0.52 -2.36 115.31 121.22 3kbv h LEU 383 Ca 0.11 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3kbv h LEU 383 Cb 0.08 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3kbv h LEU 383 CO -0.02 0.54 -0.03 0.18 -0.34 0.00 0.00 178.44 178.78 3kbv n LEU 384 N -4.62 1.08 -3.19 2.25 4.77 -0.42 -4.93 117.00 111.93 3kbv n LEU 384 Ca 0.11 -0.34 -0.18 0.00 -0.03 0.00 0.00 56.01 55.57 3kbv n LEU 384 Cb 0.13 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.28 3kbv n LEU 384 CO 0.32 0.18 0.16 0.61 -1.33 0.00 0.00 177.39 177.33 3kbv n GLY 385 N 1.16 -0.32 0.55 -0.72 0.00 -0.28 -4.93 105.19 100.65 3kbv n GLY 385 Ca 0.19 0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.36 3kbv n GLY 385 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbv n ALA 386 N -4.22 3.40 -2.47 4.61 0.00 0.08 -5.02 120.51 116.89 3kbv n ALA 386 Ca -0.13 -3.10 -0.43 0.00 0.00 0.00 0.00 53.44 49.77 3kbv n ALA 386 Cb 0.60 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.62 3kbv n ALA 386 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kbv s ARG 387 N -3.15 3.73 0.00 0.00 1.81 -1.25 -4.94 118.95 115.15 3kbv s ARG 387 Ca 0.37 0.90 0.14 0.00 -1.72 0.00 0.00 55.73 55.43 3kbv s ARG 387 Cb 0.35 -3.93 0.11 0.00 -0.45 0.00 0.00 34.95 31.03 3kbv s ARG 387 CO -0.03 -1.36 0.96 0.41 -0.68 0.00 0.00 175.30 174.59