#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbr s SER 28 N 0.00 3.83 0.57 4.31 0.15 -1.26 -5.01 113.70 116.29 3kbr s SER 28 Ca 0.00 -0.80 0.25 0.00 0.70 0.00 0.00 55.95 56.11 3kbr s SER 28 Cb 0.00 -0.46 1.65 0.00 -1.71 0.00 0.00 66.02 65.50 3kbr s SER 28 CO 0.00 0.08 2.22 -0.09 1.20 0.00 0.00 173.24 176.66 3kbr h ARG 29 N 2.75 0.00 -0.45 5.44 2.43 -1.99 -2.13 114.38 120.44 3kbr h ARG 29 Ca -0.45 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 58.79 3kbr h ARG 29 Cb 1.22 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.72 3kbr h ARG 29 CO 0.54 0.00 0.11 1.25 -1.51 0.00 0.00 179.97 180.36 3kbr h LEU 30 N 0.00 0.05 -0.70 3.80 5.85 -1.95 0.19 115.31 122.56 3kbr h LEU 30 Ca 0.00 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 3kbr h LEU 30 Cb 0.00 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3kbr h LEU 30 CO -0.00 0.06 0.13 0.44 -0.34 0.00 0.00 178.44 178.73 3kbr h ASP 31 N 0.25 1.08 -0.32 1.25 3.32 -1.80 -1.34 116.42 118.85 3kbr h ASP 31 Ca 0.22 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 3kbr h ASP 31 Cb 0.26 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3kbr h ASP 31 CO -0.27 1.06 0.10 0.03 -1.72 0.00 0.00 179.24 178.44 3kbr h ARG 32 N 1.06 0.50 -0.58 3.56 3.08 -1.27 -0.37 114.38 120.35 3kbr h ARG 32 Ca 0.21 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3kbr h ARG 32 Cb 0.43 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3kbr h ARG 32 CO 0.01 0.54 0.29 0.82 -1.07 0.00 0.00 179.97 180.57 3kbr h ILE 33 N 0.36 1.20 -0.46 2.04 2.04 -0.90 0.26 117.51 122.06 3kbr h ILE 33 Ca 0.10 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 3kbr h ILE 33 Cb 0.25 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3kbr h ILE 33 CO -0.00 0.23 0.17 -0.07 0.00 0.00 0.00 178.15 178.47 3kbr h LEU 34 N 0.79 0.60 0.02 1.44 3.38 -0.99 -0.16 115.31 120.39 3kbr h LEU 34 Ca 0.20 -0.07 -0.23 0.00 0.09 0.00 0.00 57.88 57.87 3kbr h LEU 34 Cb 0.09 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 40.71 3kbr h LEU 34 CO -0.03 0.56 -0.91 -0.33 0.09 0.00 0.00 178.44 177.82 3kbr h GLU 35 N 0.65 0.58 0.00 1.13 5.08 -0.71 -3.33 114.58 117.98 3kbr h GLU 35 Ca 0.16 -0.65 -0.08 0.00 -1.00 0.00 0.00 59.36 57.79 3kbr h GLU 35 Cb 0.16 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3kbr h GLU 35 CO -0.01 1.25 -0.36 0.66 -1.00 0.00 0.00 179.01 179.55 3kbr h SER 36 N 0.17 0.00 -1.83 1.42 4.64 -0.80 -3.47 113.55 113.68 3kbr h SER 36 Ca -0.12 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.91 3kbr h SER 36 Cb 1.59 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.65 3kbr h SER 36 CO 0.18 0.36 -0.35 0.61 -0.87 0.00 0.00 176.83 176.76 3kbr n GLY 37 N 1.09 0.07 2.94 -0.77 0.00 -0.08 -4.98 105.19 103.45 3kbr n GLY 37 Ca 0.02 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 3kbr n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kbr s VAL 38 N -2.69 0.65 -0.25 1.61 1.01 -1.24 -0.35 120.40 119.15 3kbr s VAL 38 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 3kbr s VAL 38 Cb 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.77 3kbr s VAL 38 CO 0.00 0.24 -0.05 -0.22 0.00 0.00 0.00 175.10 175.06 3kbr s LEU 39 N 0.65 3.16 -0.31 3.92 2.96 0.03 -4.70 118.68 124.38 3kbr s LEU 39 Ca -0.10 -0.78 -0.20 0.00 -0.22 0.00 0.00 54.13 52.83 3kbr s LEU 39 Cb -0.13 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 3kbr s LEU 39 CO 0.01 -0.11 0.60 -0.13 -1.32 0.00 0.00 176.35 175.39 3kbr s ARG 40 N 1.36 3.86 -0.19 1.98 0.52 -1.26 -1.27 118.95 123.95 3kbr s ARG 40 Ca 0.01 0.21 -0.01 0.00 -0.52 0.00 0.00 55.73 55.42 3kbr s ARG 40 Cb -0.16 -3.74 0.00 0.00 0.52 0.00 0.00 34.95 31.57 3kbr s ARG 40 CO -0.04 -0.57 -0.13 0.08 0.02 0.00 0.00 175.30 174.66 3kbr s VAL 41 N 2.55 2.75 0.19 3.52 1.01 0.06 -0.73 120.40 129.76 3kbr s VAL 41 Ca 0.24 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.28 3kbr s VAL 41 Cb -0.15 -2.20 -0.08 0.00 0.00 0.00 0.00 36.38 33.95 3kbr s VAL 41 CO 0.12 0.49 0.73 0.00 0.00 0.00 0.00 175.10 176.44 3kbr s ALA 42 N 1.20 3.44 -0.03 5.51 0.00 0.02 -0.02 121.76 131.89 3kbr s ALA 42 Ca 0.02 0.24 -0.25 0.00 0.00 0.00 0.00 51.96 51.97 3kbr s ALA 42 Cb -0.14 -2.86 0.05 0.00 0.00 0.00 0.00 23.12 20.17 3kbr s ALA 42 CO -0.05 0.32 0.55 -0.08 0.00 0.00 0.00 175.76 176.49 3kbr s THR 43 N -1.33 0.02 -0.04 0.00 -1.32 -0.81 -4.44 115.64 107.72 3kbr s THR 43 Ca 0.39 -0.17 0.12 0.00 -1.21 0.00 0.00 61.69 60.82 3kbr s THR 43 Cb -0.20 -0.88 -0.23 0.00 -1.51 0.00 0.00 72.50 69.68 3kbr s THR 43 CO 0.23 -0.10 0.66 0.35 -2.21 0.00 0.00 174.62 173.56 3kbr n THR 44 N 0.95 1.61 -1.27 5.08 -2.24 -1.26 -2.18 114.28 114.97 3kbr n THR 44 Ca -0.20 -0.80 -0.09 0.00 -2.27 0.00 0.00 64.05 60.69 3kbr n THR 44 Cb 0.57 -1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 67.72 3kbr n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kbr n GLY 45 N 1.56 1.05 0.28 3.38 0.00 -1.24 -4.81 105.19 105.40 3kbr n GLY 45 Ca -0.17 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.62 3kbr n GLY 45 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kbr n ASP 46 N -0.24 1.86 -3.08 1.61 5.75 -0.99 -3.54 116.55 117.93 3kbr n ASP 46 Ca -0.09 -3.04 -0.19 0.00 -0.01 0.00 0.00 54.79 51.45 3kbr n ASP 46 Cb 0.39 -0.41 -0.03 0.00 -1.03 0.00 0.00 41.12 40.04 3kbr n ASP 46 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kbr n TYR 47 N -1.11 -1.05 -1.77 2.11 -0.00 0.51 -5.03 117.16 110.83 3kbr n TYR 47 Ca 0.14 -3.14 -0.41 0.00 -0.00 0.00 0.00 57.90 54.48 3kbr n TYR 47 Cb 0.68 0.13 -0.00 0.00 -0.00 0.00 0.00 39.34 40.15 3kbr n TYR 47 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 3kbr n LYS 48 N 1.29 2.65 -0.05 2.98 4.81 -1.22 -0.60 118.16 128.02 3kbr n LYS 48 Ca 0.18 0.93 0.12 0.00 -0.87 0.00 0.00 58.31 58.68 3kbr n LYS 48 Cb 0.57 -2.67 0.38 0.00 0.02 0.00 0.00 35.03 33.34 3kbr n LYS 48 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3kbr n PRO 49 N 0.75 1.87 0.05 1.64 -0.04 -1.26 -4.88 135.00 133.13 3kbr n PRO 49 Ca 0.03 -1.28 -0.20 0.00 -0.04 0.00 0.00 63.50 62.00 3kbr n PRO 49 Cb 0.38 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 3kbr n PRO 49 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3kbr h PHE 50 N 2.82 0.64 -1.39 0.54 0.04 -1.19 0.19 116.94 118.59 3kbr h PHE 50 Ca 0.00 -0.43 0.06 0.00 2.80 0.00 0.00 57.97 60.39 3kbr h PHE 50 Cb 0.61 -0.04 -0.22 0.00 2.20 0.00 0.00 35.95 38.50 3kbr h PHE 50 CO 0.07 1.32 -0.26 0.45 -0.60 0.00 0.00 178.31 179.28 3kbr s SER 51 N -7.02 -1.12 0.30 2.17 0.15 -0.48 -1.16 113.70 106.53 3kbr s SER 51 Ca -0.13 0.98 -0.07 0.00 0.70 0.00 0.00 55.95 57.43 3kbr s SER 51 Cb 0.02 2.06 -0.00 0.00 -1.71 0.00 0.00 66.02 66.39 3kbr s SER 51 CO 0.85 -0.25 0.47 -0.72 1.20 0.00 0.00 173.24 174.78 3kbr s TYR 52 N 2.83 0.72 -0.15 3.44 -0.85 0.44 -0.36 117.35 123.42 3kbr s TYR 52 Ca 0.13 -1.04 -0.08 0.00 -0.52 0.00 0.00 57.07 55.56 3kbr s TYR 52 Cb -0.14 0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.20 3kbr s TYR 52 CO -0.20 -1.07 0.13 1.03 -1.52 0.00 0.00 175.55 173.93 3kbr s ARG 53 N -3.48 3.72 0.75 -3.49 1.81 -1.23 -0.35 118.95 116.68 3kbr s ARG 53 Ca 0.27 -0.18 -0.12 0.00 -1.72 0.00 0.00 55.73 53.99 3kbr s ARG 53 Cb -0.00 -3.27 0.04 0.00 -0.45 0.00 0.00 34.95 31.27 3kbr s ARG 53 CO 0.14 0.58 1.11 0.95 -0.68 0.00 0.00 175.30 177.41 3kbr s THR 54 N -0.47 3.15 0.44 0.02 -4.23 -0.36 -4.90 115.64 109.30 3kbr s THR 54 Ca 0.12 0.37 0.14 0.00 -1.18 0.00 0.00 61.69 61.14 3kbr s THR 54 Cb -0.12 -3.29 0.32 0.00 1.34 0.00 0.00 72.50 70.76 3kbr s THR 54 CO 0.02 -0.49 1.99 -0.08 -0.54 0.00 0.00 174.62 175.52 3kbr h GLU 55 N -0.85 0.38 -0.00 3.99 4.57 -1.99 -0.71 114.58 119.97 3kbr h GLU 55 Ca -0.46 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3kbr h GLU 55 Cb 1.27 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3kbr h GLU 55 CO 0.63 0.25 -0.00 0.39 -1.18 0.00 0.00 179.01 179.09 3kbr n GLU 56 N -4.47 0.43 -0.13 1.92 -0.58 -1.26 -4.88 120.64 111.66 3kbr n GLU 56 Ca 0.09 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 3kbr n GLU 56 Cb 0.35 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 3kbr n GLU 56 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kbr n GLY 57 N 1.29 0.80 0.31 0.62 0.00 -0.27 -5.08 105.19 102.85 3kbr n GLY 57 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 3kbr n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbr n GLY 58 N -2.08 -0.75 3.38 -0.02 0.00 -1.26 -4.76 105.19 99.69 3kbr n GLY 58 Ca 0.00 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 3kbr n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kbr s TYR 59 N -0.97 2.34 0.20 1.61 2.02 -1.26 -1.22 117.35 120.06 3kbr s TYR 59 Ca 0.06 -0.39 -0.09 0.00 -0.37 0.00 0.00 57.07 56.28 3kbr s TYR 59 Cb -0.00 -1.33 -0.01 0.00 -0.40 0.00 0.00 41.96 40.22 3kbr s TYR 59 CO 0.04 0.24 0.34 0.00 -1.57 0.00 0.00 175.55 174.59 3kbr s ALA 60 N -0.94 0.06 0.00 3.71 0.00 0.52 -4.82 121.76 120.29 3kbr s ALA 60 Ca 0.13 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.11 3kbr s ALA 60 Cb -0.10 1.01 0.00 0.00 0.00 0.00 0.00 23.12 24.03 3kbr s ALA 60 CO 0.04 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.50 3kbr n GLY 61 N -0.29 2.53 0.25 0.00 0.00 -1.26 -0.42 105.19 105.99 3kbr n GLY 61 Ca -0.04 -1.95 -0.01 0.00 0.00 0.00 0.00 46.02 44.02 3kbr n GLY 61 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3kbr h PHE 62 N 0.00 0.54 0.00 1.61 3.57 -0.39 -0.73 116.94 121.54 3kbr h PHE 62 Ca 0.00 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 3kbr h PHE 62 Cb 0.00 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3kbr h PHE 62 CO 0.00 0.21 -0.41 -0.44 -2.23 0.00 0.00 178.31 175.44 3kbr h ASP 63 N 0.54 0.00 -0.36 0.41 3.32 -1.37 -2.89 116.42 116.06 3kbr h ASP 63 Ca 0.31 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.22 3kbr h ASP 63 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3kbr h ASP 63 CO -0.25 0.41 -0.30 0.58 -1.72 0.00 0.00 179.24 177.96 3kbr h VAL 64 N 0.00 1.28 0.00 -1.35 2.07 -1.49 -0.08 116.25 116.69 3kbr h VAL 64 Ca -0.00 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.05 3kbr h VAL 64 Cb 1.22 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3kbr h VAL 64 CO 0.05 0.49 0.00 -0.67 0.02 0.00 0.00 177.57 177.46 3kbr n ASP 65 N -4.17 0.00 0.00 0.57 2.03 -0.33 -1.32 116.55 113.34 3kbr n ASP 65 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 3kbr n ASP 65 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 3kbr n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kbr n ALA 67 N 0.24 0.00 -0.36 -1.67 0.00 -0.04 -2.31 120.51 116.36 3kbr n ALA 67 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3kbr n ALA 67 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 3kbr n ALA 67 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3kbr h GLN 68 N 0.00 1.19 -0.35 0.00 4.20 -1.47 -0.67 115.11 118.02 3kbr h GLN 68 Ca 0.00 -0.07 -0.15 0.00 0.06 0.00 0.00 58.65 58.49 3kbr h GLN 68 Cb 0.00 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.51 3kbr h GLN 68 CO 0.00 0.79 -0.37 0.00 -0.67 0.00 0.00 178.83 178.57 3kbr h ARG 69 N 1.23 0.87 -0.33 1.46 3.08 -1.74 -0.99 114.38 117.95 3kbr h ARG 69 Ca 0.41 -0.47 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3kbr h ARG 69 Cb 0.06 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3kbr h ARG 69 CO -0.14 1.11 0.08 1.25 -1.07 0.00 0.00 179.97 181.20 3kbr h LEU 70 N 0.67 0.51 -0.33 3.04 5.85 -1.80 -1.56 115.31 121.70 3kbr h LEU 70 Ca 0.05 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.56 3kbr h LEU 70 Cb 0.97 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3kbr h LEU 70 CO 0.09 0.62 0.17 0.00 -0.34 0.00 0.00 178.44 178.98 3kbr h ALA 71 N 0.91 0.41 -0.92 1.25 0.00 -1.06 -2.40 119.26 117.46 3kbr h ALA 71 Ca 0.10 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3kbr h ALA 71 Cb 0.31 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3kbr h ALA 71 CO 0.00 -0.21 0.60 1.49 0.00 0.00 0.00 179.25 181.14 3kbr h GLU 72 N 0.35 1.12 0.00 0.00 4.81 -1.04 -0.55 114.58 119.27 3kbr h GLU 72 Ca 0.14 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3kbr h GLU 72 Cb 0.05 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 3kbr h GLU 72 CO -0.09 0.74 -0.09 0.66 -0.73 0.00 0.00 179.01 179.50 3kbr h SER 73 N 1.15 0.00 -0.48 1.04 4.64 -0.78 -1.56 113.55 117.56 3kbr h SER 73 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3kbr h SER 73 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3kbr h SER 73 CO -0.11 0.09 0.00 0.18 -0.87 0.00 0.00 176.83 176.12 3kbr n LEU 74 N -3.76 3.08 -2.18 5.97 4.77 -0.37 -4.93 117.00 119.58 3kbr n LEU 74 Ca -0.02 -1.45 -0.20 0.00 -0.03 0.00 0.00 56.01 54.31 3kbr n LEU 74 Cb 0.20 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 3kbr n LEU 74 CO 0.30 0.73 -0.24 0.61 -1.33 0.00 0.00 177.39 177.46 3kbr n GLY 75 N 1.43 0.13 3.57 -0.72 0.00 -0.59 -4.76 105.19 104.26 3kbr n GLY 75 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3kbr n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbr s ALA 76 N -2.90 2.93 0.30 4.61 0.00 -0.36 -4.79 121.76 121.56 3kbr s ALA 76 Ca 0.00 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.43 3kbr s ALA 76 Cb 0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 23.12 22.13 3kbr s ALA 76 CO 0.00 0.64 1.24 0.15 0.00 0.00 0.00 175.76 177.79 3kbr s LYS 77 N -2.15 4.44 -0.25 0.00 1.02 0.53 -4.06 119.74 119.28 3kbr s LYS 77 Ca 0.21 2.08 -0.27 0.00 0.02 0.00 0.00 55.97 58.01 3kbr s LYS 77 Cb -0.11 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 3kbr s LYS 77 CO 0.13 -0.07 0.95 -1.17 -0.92 0.00 0.00 175.35 174.27 3kbr s LEU 78 N -1.54 4.07 -0.25 3.17 2.96 -1.26 -0.79 118.68 125.04 3kbr s LEU 78 Ca 0.48 1.16 -0.01 0.00 -0.22 0.00 0.00 54.13 55.54 3kbr s LEU 78 Cb -0.37 -3.38 0.03 0.00 0.50 0.00 0.00 46.19 42.97 3kbr s LEU 78 CO 0.48 -0.64 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.12 3kbr s VAL 79 N 3.11 2.84 -0.06 1.68 1.01 -0.40 -4.97 120.40 123.62 3kbr s VAL 79 Ca 0.40 -1.08 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 3kbr s VAL 79 Cb -0.15 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3kbr s VAL 79 CO 0.08 0.17 0.78 -0.69 0.00 0.00 0.00 175.10 175.44 3kbr s VAL 80 N 1.31 4.99 -0.25 2.92 1.01 -1.26 -0.76 120.40 128.36 3kbr s VAL 80 Ca -0.01 1.61 -0.04 0.00 0.00 0.00 0.00 61.98 63.54 3kbr s VAL 80 Cb -0.17 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.10 3kbr s VAL 80 CO -0.04 0.21 -0.01 -0.69 0.00 0.00 0.00 175.10 174.57 3kbr s VAL 81 N 1.00 3.47 0.36 2.92 1.01 0.97 -4.91 120.40 125.22 3kbr s VAL 81 Ca 0.41 -0.66 -0.28 0.00 0.00 0.00 0.00 61.98 61.45 3kbr s VAL 81 Cb -0.18 -2.69 -0.10 0.00 0.00 0.00 0.00 36.38 33.41 3kbr s VAL 81 CO 0.20 0.27 1.31 -2.84 0.00 0.00 0.00 175.10 174.03 3kbr s PRO 82 N 1.45 4.22 0.29 2.72 0.02 -1.26 -1.93 135.00 140.52 3kbr s PRO 82 Ca 0.04 2.20 0.02 0.00 0.02 0.00 0.00 61.00 63.28 3kbr s PRO 82 Cb -0.16 -2.96 -0.01 0.00 0.02 0.00 0.00 34.50 31.39 3kbr s PRO 82 CO -0.02 -0.29 0.34 -2.37 -0.33 0.00 0.00 177.00 174.33 3kbr n THR 83 N 0.57 0.00 -4.08 0.99 5.66 -0.93 -4.83 114.28 111.66 3kbr n THR 83 Ca 0.01 -1.79 -0.10 0.00 -3.05 0.00 0.00 64.05 59.13 3kbr n THR 83 Cb 0.42 0.99 -0.09 0.00 -1.55 0.00 0.00 70.33 70.10 3kbr n THR 83 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3kbr s SER 84 N -2.92 0.21 0.15 1.09 1.04 -1.26 -4.21 113.70 107.79 3kbr s SER 84 Ca 0.29 -1.09 -0.16 0.00 0.48 0.00 0.00 55.95 55.48 3kbr s SER 84 Cb 0.00 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.49 3kbr s SER 84 CO 0.21 -0.79 1.75 -0.50 0.98 0.00 0.00 173.24 174.89 3kbr h TRP 85 N 2.75 0.60 0.00 5.02 4.06 -1.96 0.14 115.95 126.55 3kbr h TRP 85 Ca -0.34 -0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.56 3kbr h TRP 85 Cb 1.21 -0.19 -0.00 0.00 -1.00 0.00 0.00 29.16 29.17 3kbr h TRP 85 CO 0.42 0.46 -0.16 -1.35 -3.56 0.00 0.00 178.44 174.25 3kbr h PRO 86 N 0.56 0.00 -0.02 0.49 0.11 -1.92 -3.13 132.00 128.09 3kbr h PRO 86 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3kbr h PRO 86 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 3kbr h PRO 86 CO -0.02 0.16 -0.34 0.09 -0.21 0.00 0.00 178.00 177.68 3kbr n ASN 87 N -4.14 2.23 -0.03 -2.05 5.03 -0.78 -4.75 115.26 110.78 3kbr n ASN 87 Ca -0.02 -1.62 0.00 0.00 0.87 0.00 0.00 54.58 53.81 3kbr n ASN 87 Cb 0.23 0.35 0.00 0.00 -1.02 0.00 0.00 39.78 39.34 3kbr n ASN 87 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 3kbr n LEU 88 N 0.32 0.00 0.00 3.41 7.94 0.42 -0.35 117.00 128.74 3kbr n LEU 88 Ca 0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 3kbr n LEU 88 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 3kbr n LEU 88 CO 0.24 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.38 3kbr n ARG 90 N -0.29 0.00 -0.14 1.96 0.63 -1.26 -1.13 116.66 116.43 3kbr n ARG 90 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 3kbr n ARG 90 Cb 0.00 0.00 0.16 0.00 0.45 0.00 0.00 32.46 33.07 3kbr n ARG 90 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3kbr h ASP 91 N 0.00 0.81 0.02 6.15 3.32 -1.09 -1.24 116.42 124.39 3kbr h ASP 91 Ca 0.00 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 56.90 3kbr h ASP 91 Cb 0.00 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3kbr h ASP 91 CO 0.00 0.81 -0.06 0.15 -1.72 0.00 0.00 179.24 178.42 3kbr h PHE 92 N 0.82 -0.16 -0.46 4.55 3.57 -1.35 -2.25 116.94 121.66 3kbr h PHE 92 Ca 0.17 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3kbr h PHE 92 Cb 0.35 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 3kbr h PHE 92 CO 0.02 -0.10 0.24 0.00 -2.23 0.00 0.00 178.31 176.24 3kbr h ALA 93 N 0.85 1.56 0.00 2.41 0.00 -1.76 -1.17 119.26 121.15 3kbr h ALA 93 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kbr h ALA 93 Cb 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kbr h ALA 93 CO -0.05 0.37 0.00 -0.25 0.00 0.00 0.00 179.25 179.31 3kbr n ASP 94 N -4.41 0.00 -3.65 0.00 8.00 -0.50 -4.92 116.55 111.07 3kbr n ASP 94 Ca 0.04 -1.06 -0.24 0.00 0.71 0.00 0.00 54.79 54.23 3kbr n ASP 94 Cb 0.11 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.27 3kbr n ASP 94 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3kbr n ASP 95 N -0.94 -4.83 0.07 -2.24 2.03 -0.44 -4.89 116.55 105.30 3kbr n ASP 95 Ca 0.20 -0.63 0.13 0.00 0.52 0.00 0.00 54.79 55.01 3kbr n ASP 95 Cb 0.09 -4.70 0.48 0.00 -0.72 0.00 0.00 41.12 36.27 3kbr n ASP 95 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3kbr n ARG 96 N -4.73 0.16 -3.88 -0.67 5.12 -0.89 -4.89 116.66 106.88 3kbr n ARG 96 Ca -0.06 0.17 -0.09 0.00 -1.93 0.00 0.00 57.85 55.93 3kbr n ARG 96 Cb 0.58 -1.70 -0.06 0.00 -1.16 0.00 0.00 32.46 30.12 3kbr n ARG 96 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 3kbr s PHE 97 N -3.08 0.19 -0.08 -1.55 -0.12 -1.26 -4.97 117.98 107.11 3kbr s PHE 97 Ca 0.11 -0.55 0.10 0.00 -0.05 0.00 0.00 56.93 56.54 3kbr s PHE 97 Cb 0.14 0.14 -0.24 0.00 -0.63 0.00 0.00 43.02 42.44 3kbr s PHE 97 CO 0.54 -0.83 0.50 -0.25 -0.05 0.00 0.00 175.22 175.14 3kbr n ASP 98 N -0.28 0.99 -3.61 1.98 8.00 0.09 -4.97 116.55 118.76 3kbr n ASP 98 Ca -0.08 0.31 -0.16 0.00 0.71 0.00 0.00 54.79 55.57 3kbr n ASP 98 Cb 0.63 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.60 3kbr n ASP 98 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3kbr s ILE 99 N -2.57 0.01 0.49 0.53 2.07 -1.08 -4.29 121.20 116.36 3kbr s ILE 99 Ca -0.09 -0.06 0.04 0.00 -1.41 0.00 0.00 60.65 59.13 3kbr s ILE 99 Cb 0.07 -0.90 -0.01 0.00 0.13 0.00 0.00 42.46 41.75 3kbr s ILE 99 CO 0.81 -0.03 0.16 0.00 -1.91 0.00 0.00 174.94 173.96 3kbr s ALA 100 N -0.58 4.01 0.00 1.50 0.00 -0.55 -0.80 121.76 125.35 3kbr s ALA 100 Ca -0.07 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.73 3kbr s ALA 100 Cb -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.83 3kbr s ALA 100 CO 0.05 -0.18 0.00 0.45 0.00 0.00 0.00 175.76 176.08 3kbr n SER 102 N -1.38 0.00 -2.52 0.00 2.88 -1.26 -1.90 113.62 109.44 3kbr n SER 102 Ca -0.09 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.29 3kbr n SER 102 Cb 0.66 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.17 3kbr n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kbr n GLY 103 N 0.00 -0.08 3.69 0.46 0.00 -1.26 -4.82 105.19 103.17 3kbr n GLY 103 Ca 0.00 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 3kbr n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kbr s ILE 104 N -3.17 5.03 0.23 -0.61 1.01 -1.26 -4.99 121.20 117.43 3kbr s ILE 104 Ca 0.37 1.31 -0.26 0.00 0.00 0.00 0.00 60.65 62.06 3kbr s ILE 104 Cb -0.16 -3.99 -0.09 0.00 0.01 0.00 0.00 42.46 38.23 3kbr s ILE 104 CO 0.45 0.18 0.85 -0.44 0.00 0.00 0.00 174.94 175.99 3kbr s SER 105 N 0.97 7.42 0.13 3.58 0.01 -1.26 -1.46 113.70 123.10 3kbr s SER 105 Ca 0.33 1.75 -0.31 0.00 1.31 0.00 0.00 55.95 59.03 3kbr s SER 105 Cb -0.16 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.44 3kbr s SER 105 CO 0.13 0.12 1.42 -0.63 0.41 0.00 0.00 173.24 174.70 3kbr s ILE 106 N -1.29 3.16 0.14 1.44 1.01 0.07 -4.88 121.20 120.85 3kbr s ILE 106 Ca 0.41 0.83 -0.07 0.00 0.00 0.00 0.00 60.65 61.83 3kbr s ILE 106 Cb -0.22 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 3kbr s ILE 106 CO 0.27 0.07 0.20 0.54 0.00 0.00 0.00 174.94 176.02 3kbr s ASN 107 N 1.09 0.14 0.34 3.58 2.20 -1.26 -4.60 114.94 116.42 3kbr s ASN 107 Ca 0.65 -0.94 0.18 0.00 -0.94 0.00 0.00 52.86 51.82 3kbr s ASN 107 Cb -0.38 0.38 0.43 0.00 -2.00 0.00 0.00 41.25 39.67 3kbr s ASN 107 CO 0.31 -0.82 1.61 -0.07 -2.94 0.00 0.00 177.10 175.19 3kbr h LEU 108 N 2.67 0.00 -0.24 3.54 3.38 -1.97 -1.88 115.31 120.80 3kbr h LEU 108 Ca -0.33 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3kbr h LEU 108 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3kbr h LEU 108 CO 0.53 0.41 0.14 -0.08 0.09 0.00 0.00 178.44 179.53 3kbr h GLU 109 N 0.00 0.33 -0.42 1.13 4.81 -2.01 -2.38 114.58 116.05 3kbr h GLU 109 Ca -0.00 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 3kbr h GLU 109 Cb 1.11 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 3kbr h GLU 109 CO 0.05 0.27 -0.17 0.00 -0.73 0.00 0.00 179.01 178.44 3kbr h ARG 110 N 0.29 0.79 0.00 1.92 3.08 -1.94 -2.47 114.38 116.06 3kbr h ARG 110 Ca 0.09 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3kbr h ARG 110 Cb 0.03 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3kbr h ARG 110 CO -0.02 0.90 0.00 0.37 -1.07 0.00 0.00 179.97 180.16 3kbr h GLN 111 N 0.70 0.00 -0.53 0.04 5.75 -1.09 -0.42 115.11 119.56 3kbr h GLN 111 Ca 0.11 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 3kbr h GLN 111 Cb 0.67 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.19 3kbr h GLN 111 CO 0.05 0.00 0.23 0.00 -2.65 0.00 0.00 178.83 176.46 3kbr h ARG 112 N 0.00 0.75 0.00 1.69 3.08 -0.93 -3.35 114.38 115.62 3kbr h ARG 112 Ca 0.00 -0.10 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 3kbr h ARG 112 Cb 0.11 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3kbr h ARG 112 CO 0.00 0.60 -1.56 1.04 -1.07 0.00 0.00 179.97 178.99 3kbr n GLN 113 N -4.36 2.30 -4.31 0.04 1.13 -0.79 -5.08 117.38 106.33 3kbr n GLN 113 Ca 0.04 0.01 -0.28 0.00 -1.94 0.00 0.00 57.00 54.83 3kbr n GLN 113 Cb 0.14 -1.21 -0.06 0.00 0.11 0.00 0.00 30.24 29.23 3kbr n GLN 113 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kbr s ALA 114 N -2.20 3.99 0.30 -1.58 0.00 -0.23 -4.66 121.76 117.38 3kbr s ALA 114 Ca -0.06 -1.27 0.07 0.00 0.00 0.00 0.00 51.96 50.70 3kbr s ALA 114 Cb 0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 3kbr s ALA 114 CO 0.31 -0.20 0.28 0.71 0.00 0.00 0.00 175.76 176.87 3kbr s TYR 115 N -2.75 3.01 0.10 0.00 1.51 0.58 -4.47 117.35 115.33 3kbr s TYR 115 Ca 0.26 -0.22 0.09 0.00 -1.01 0.00 0.00 57.07 56.20 3kbr s TYR 115 Cb 0.02 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 3kbr s TYR 115 CO 0.15 0.28 -0.24 -0.06 -1.11 0.00 0.00 175.55 174.58 3kbr s PHE 116 N -2.22 2.03 1.12 2.71 0.08 -1.26 -0.63 117.98 119.81 3kbr s PHE 116 Ca 0.38 -0.40 -0.15 0.00 0.12 0.00 0.00 56.93 56.89 3kbr s PHE 116 Cb -0.07 -1.12 0.25 0.00 -0.57 0.00 0.00 43.02 41.51 3kbr s PHE 116 CO 0.27 0.24 1.06 -1.54 -0.10 0.00 0.00 175.22 175.15 3kbr s SER 117 N -1.84 1.48 0.79 1.36 1.04 0.01 -4.91 113.70 111.64 3kbr s SER 117 Ca 0.10 1.13 -0.14 0.00 0.48 0.00 0.00 55.95 57.52 3kbr s SER 117 Cb -0.10 -1.74 0.04 0.00 0.10 0.00 0.00 66.02 64.32 3kbr s SER 117 CO 0.04 -3.83 0.96 2.30 0.98 0.00 0.00 173.24 173.69 3kbr n ILE 118 N -4.63 2.01 -2.40 -1.02 -5.35 -1.26 -4.60 119.36 102.11 3kbr n ILE 118 Ca 0.06 -0.28 -0.32 0.00 -0.27 0.00 0.00 62.75 61.94 3kbr n ILE 118 Cb 0.57 -1.05 -0.03 0.00 -1.74 0.00 0.00 39.64 37.39 3kbr n ILE 118 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3kbr s PRO 119 N -3.66 3.94 0.00 6.28 0.04 -1.26 -4.56 135.00 135.78 3kbr s PRO 119 Ca 0.71 0.96 0.03 0.00 0.04 0.00 0.00 61.00 62.74 3kbr s PRO 119 Cb -0.31 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 3kbr s PRO 119 CO 0.53 -0.28 0.29 2.48 0.04 0.00 0.00 177.00 180.07 3kbr n TYR 120 N -1.57 0.00 -3.68 0.56 0.18 -0.22 -5.00 117.16 107.43 3kbr n TYR 120 Ca 0.07 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.72 3kbr n TYR 120 Cb 0.54 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.41 3kbr n TYR 120 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 3kbr s LEU 121 N -1.51 -0.22 -0.13 -3.48 2.96 -1.23 -4.99 118.68 110.08 3kbr s LEU 121 Ca 0.02 1.15 -0.15 0.00 -0.22 0.00 0.00 54.13 54.92 3kbr s LEU 121 Cb 0.02 1.92 -0.05 0.00 0.50 0.00 0.00 46.19 48.59 3kbr s LEU 121 CO 0.10 -0.20 0.36 -0.13 -1.32 0.00 0.00 176.35 175.16 3kbr s ARG 122 N 0.52 4.24 0.00 1.98 0.52 -1.26 -0.61 118.95 124.34 3kbr s ARG 122 Ca -0.02 0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 3kbr s ARG 122 Cb -0.04 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 32.02 3kbr s ARG 122 CO -0.02 0.26 0.00 -3.47 0.02 0.00 0.00 175.30 172.08 3kbr n ASP 123 N 3.43 0.83 0.00 0.23 2.03 0.18 -4.94 116.55 118.31 3kbr n ASP 123 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 3kbr n ASP 123 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 3kbr n ASP 123 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kbr n GLY 124 N 0.00 4.42 3.79 0.27 0.00 -1.25 -2.08 105.19 110.34 3kbr n GLY 124 Ca 0.00 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 3kbr n GLY 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kbr s LYS 125 N -3.50 3.68 -0.07 1.61 -0.14 -1.26 -1.00 119.74 119.07 3kbr s LYS 125 Ca 0.00 1.40 -0.27 0.00 -1.36 0.00 0.00 55.97 55.74 3kbr s LYS 125 Cb 0.00 -2.07 0.06 0.00 -1.68 0.00 0.00 37.83 34.14 3kbr s LYS 125 CO 0.00 -0.54 0.61 -0.08 -0.76 0.00 0.00 175.35 174.59 3kbr s THR 126 N -1.96 0.01 0.36 2.17 -1.32 0.51 -3.70 115.64 111.71 3kbr s THR 126 Ca 0.68 -0.08 -0.28 0.00 -1.21 0.00 0.00 61.69 60.80 3kbr s THR 126 Cb -0.18 -0.92 -0.10 0.00 -1.51 0.00 0.00 72.50 69.79 3kbr s THR 126 CO 0.22 -0.04 1.34 -2.84 -2.21 0.00 0.00 174.62 171.08 3kbr s PRO 127 N -1.03 4.22 -0.09 7.08 0.02 -1.26 -1.83 135.00 142.11 3kbr s PRO 127 Ca -0.10 2.26 0.02 0.00 0.02 0.00 0.00 61.00 63.21 3kbr s PRO 127 Cb -0.01 -2.98 -0.01 0.00 0.02 0.00 0.00 34.50 31.51 3kbr s PRO 127 CO 0.08 -0.32 -0.17 -1.50 -0.33 0.00 0.00 177.00 174.76 3kbr s ILE 128 N -1.17 2.76 0.32 2.83 2.07 -1.26 -0.99 121.20 125.77 3kbr s ILE 128 Ca 0.51 -0.79 -0.08 0.00 -1.41 0.00 0.00 60.65 58.89 3kbr s ILE 128 Cb -0.41 -2.11 0.01 0.00 0.13 0.00 0.00 42.46 40.09 3kbr s ILE 128 CO 0.54 0.55 0.53 0.28 -1.91 0.00 0.00 174.94 174.93 3kbr s THR 129 N 0.01 0.00 0.30 4.00 -1.32 -0.60 -4.36 115.64 113.66 3kbr s THR 129 Ca -0.05 -1.45 -0.30 0.00 -1.21 0.00 0.00 61.69 58.68 3kbr s THR 129 Cb -0.15 -2.56 -0.11 0.00 -1.51 0.00 0.00 72.50 68.17 3kbr s THR 129 CO 0.05 0.00 1.61 -0.76 -2.21 0.00 0.00 174.62 173.30 3kbr s LEU 130 N -3.15 4.34 0.38 9.08 1.43 -1.26 -0.01 118.68 129.49 3kbr s LEU 130 Ca 0.26 2.98 0.11 0.00 -1.03 0.00 0.00 54.13 56.44 3kbr s LEU 130 Cb -0.01 -3.64 0.90 0.00 0.03 0.00 0.00 46.19 43.47 3kbr s LEU 130 CO 0.15 -0.93 1.89 0.00 0.23 0.00 0.00 176.35 177.69 3kbr h SER 132 N 0.60 0.00 -0.26 0.00 4.64 -1.90 -2.74 113.55 113.89 3kbr h SER 132 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3kbr h SER 132 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3kbr h SER 132 CO -0.17 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.17 3kbr n GLU 133 N -2.32 2.53 -0.25 4.77 -0.58 0.33 -4.76 120.64 120.36 3kbr n GLU 133 Ca 0.01 -1.85 0.03 0.00 -0.42 0.00 0.00 57.16 54.93 3kbr n GLU 133 Cb 0.21 -1.22 0.15 0.00 -0.57 0.00 0.00 31.44 30.01 3kbr n GLU 133 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3kbr h GLU 134 N 1.76 0.56 0.00 3.49 4.81 -1.15 -0.94 114.58 123.11 3kbr h GLU 134 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3kbr h GLU 134 Cb 0.66 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 3kbr h GLU 134 CO 0.00 0.37 -0.05 0.00 -0.73 0.00 0.00 179.01 178.60 3kbr h ALA 135 N 1.46 1.18 0.00 2.92 0.00 -1.85 -2.73 119.26 120.24 3kbr h ALA 135 Ca 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3kbr h ALA 135 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kbr h ALA 135 CO -0.30 0.06 -0.01 0.00 0.00 0.00 0.00 179.25 179.00 3kbr h ARG 136 N 0.00 0.00 -1.43 0.00 3.08 -1.53 -3.37 114.38 111.14 3kbr h ARG 136 Ca -0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3kbr h ARG 136 Cb 0.24 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.88 3kbr h ARG 136 CO 0.01 0.00 -0.88 1.19 -1.07 0.00 0.00 179.97 179.21 3kbr n PHE 137 N -2.52 2.66 0.01 3.04 0.99 -1.03 -4.54 117.46 116.06 3kbr n PHE 137 Ca 0.05 -3.10 -0.10 0.00 -0.00 0.00 0.00 57.45 54.30 3kbr n PHE 137 Cb 0.46 -0.21 -0.14 0.00 -1.00 0.00 0.00 39.48 38.60 3kbr n PHE 137 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 3kbr h GLN 138 N 2.75 0.04 -5.37 -1.08 1.08 -1.74 -3.46 115.11 107.33 3kbr h GLN 138 Ca 0.16 -0.08 -0.41 0.00 -1.45 0.00 0.00 58.65 56.88 3kbr h GLN 138 Cb 0.97 0.03 -0.18 0.00 -0.05 0.00 0.00 27.48 28.25 3kbr h GLN 138 CO 0.73 0.71 -0.76 0.95 -0.95 0.00 0.00 178.83 179.51 3kbr s THR 139 N -2.62 1.28 0.37 -0.54 -4.23 -1.26 -4.84 115.64 103.80 3kbr s THR 139 Ca -0.05 -1.68 0.12 0.00 -1.18 0.00 0.00 61.69 58.90 3kbr s THR 139 Cb 0.08 -1.48 0.34 0.00 1.34 0.00 0.00 72.50 72.79 3kbr s THR 139 CO 0.82 -0.41 1.83 -0.07 -0.54 0.00 0.00 174.62 176.25 3kbr h LEU 140 N 3.58 0.58 -0.73 4.79 -0.00 -1.96 -1.89 115.31 119.68 3kbr h LEU 140 Ca -0.40 0.06 -0.05 0.00 -0.00 0.00 0.00 57.88 57.50 3kbr h LEU 140 Cb 1.19 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 41.78 3kbr h LEU 140 CO 0.50 0.23 0.28 -0.08 -0.00 0.00 0.00 178.44 179.37 3kbr h GLU 141 N 0.58 1.11 -0.33 1.13 4.81 -1.95 0.22 114.58 120.15 3kbr h GLU 141 Ca 0.51 -0.21 -0.13 0.00 -0.13 0.00 0.00 59.36 59.40 3kbr h GLU 141 Cb 1.01 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 3kbr h GLU 141 CO -0.25 0.92 -0.32 1.96 -0.73 0.00 0.00 179.01 180.59 3kbr h GLN 142 N 1.06 0.71 -0.01 1.92 4.20 -1.69 -3.26 115.11 118.04 3kbr h GLN 142 Ca 0.24 -0.33 -0.25 0.00 0.06 0.00 0.00 58.65 58.38 3kbr h GLN 142 Cb 0.24 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.02 3kbr h GLN 142 CO -0.02 0.93 -0.98 0.82 -0.67 0.00 0.00 178.83 178.92 3kbr h ILE 143 N 0.60 1.32 -0.45 2.54 2.04 -0.93 -3.39 117.51 119.25 3kbr h ILE 143 Ca 0.07 -2.29 -0.72 0.00 1.00 0.00 0.00 64.86 62.91 3kbr h ILE 143 Cb 0.84 2.35 -0.08 0.00 -0.74 0.00 0.00 36.82 39.19 3kbr h ILE 143 CO 0.07 0.70 2.77 -0.67 0.00 0.00 0.00 178.15 181.02 3kbr n ASP 144 N -3.82 4.27 -4.14 1.72 2.03 0.73 -4.67 116.55 112.66 3kbr n ASP 144 Ca -0.09 -2.92 -0.19 0.00 0.52 0.00 0.00 54.79 52.11 3kbr n ASP 144 Cb 0.85 -1.61 -0.13 0.00 -0.72 0.00 0.00 41.12 39.51 3kbr n ASP 144 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3kbr s GLN 145 N 2.42 0.85 0.32 -0.67 -1.52 -1.26 -4.48 119.66 115.31 3kbr s GLN 145 Ca 0.45 -0.81 0.09 0.00 -1.95 0.00 0.00 55.36 53.14 3kbr s GLN 145 Cb 0.12 -0.84 0.87 0.00 -0.22 0.00 0.00 33.01 32.95 3kbr s GLN 145 CO -0.06 0.20 1.72 -1.35 -0.25 0.00 0.00 175.29 175.55 3kbr h PRO 146 N 4.71 0.54 0.00 2.91 0.11 -1.90 -0.60 132.00 137.76 3kbr h PRO 146 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3kbr h PRO 146 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3kbr h PRO 146 CO 0.42 0.36 0.00 0.41 -0.21 0.00 0.00 178.00 178.98 3kbr n GLY 147 N -1.31 -0.94 3.89 -0.55 0.00 -1.26 -4.42 105.19 100.59 3kbr n GLY 147 Ca 0.26 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3kbr n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kbr s VAL 148 N -2.00 5.43 -0.16 1.61 1.01 -0.23 -5.01 120.40 121.05 3kbr s VAL 148 Ca 0.45 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.51 3kbr s VAL 148 Cb 0.21 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 33.11 3kbr s VAL 148 CO 0.35 0.46 -0.19 -0.89 0.00 0.00 0.00 175.10 174.83 3kbr s THR 149 N -1.20 1.92 -0.22 3.92 2.01 -1.26 -0.40 115.64 120.41 3kbr s THR 149 Ca 0.22 -0.86 -0.07 0.00 0.31 0.00 0.00 61.69 61.29 3kbr s THR 149 Cb -0.13 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 3kbr s THR 149 CO 0.12 0.52 0.06 0.00 -0.69 0.00 0.00 174.62 174.63 3kbr s ALA 150 N 1.23 3.24 0.09 7.40 0.00 0.80 -0.62 121.76 133.91 3kbr s ALA 150 Ca 0.02 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 3kbr s ALA 150 Cb -0.13 -1.99 -0.06 0.00 0.00 0.00 0.00 23.12 20.94 3kbr s ALA 150 CO -0.10 -0.19 0.43 -1.50 0.00 0.00 0.00 175.76 174.40 3kbr s ILE 151 N 1.06 5.05 0.03 0.00 2.07 -0.55 -0.47 121.20 128.39 3kbr s ILE 151 Ca 0.04 0.51 -0.11 0.00 -1.41 0.00 0.00 60.65 59.68 3kbr s ILE 151 Cb -0.14 -3.66 0.01 0.00 0.13 0.00 0.00 42.46 38.80 3kbr s ILE 151 CO 0.03 0.28 0.23 0.54 -1.91 0.00 0.00 174.94 174.11 3kbr s VAL 152 N -1.41 0.09 0.36 4.00 0.11 0.21 -4.90 120.40 118.86 3kbr s VAL 152 Ca 0.34 -0.77 -0.11 0.00 -2.93 0.00 0.00 61.98 58.50 3kbr s VAL 152 Cb -0.14 -0.85 -0.07 0.00 -1.53 0.00 0.00 36.38 33.79 3kbr s VAL 152 CO 0.18 -0.43 0.73 0.54 -3.33 0.00 0.00 175.10 172.79 3kbr s ASN 153 N -1.94 6.58 0.24 3.54 4.22 -1.26 -0.49 114.94 125.84 3kbr s ASN 153 Ca -0.07 1.12 -0.25 0.00 -2.14 0.00 0.00 52.86 51.52 3kbr s ASN 153 Cb -0.02 -2.31 -0.09 0.00 1.28 0.00 0.00 41.25 40.11 3kbr s ASN 153 CO -0.02 -0.31 0.85 -2.84 -2.04 0.00 0.00 177.10 172.74 3kbr s PRO 154 N -3.53 4.56 -0.03 3.55 0.02 -1.26 -4.03 135.00 134.28 3kbr s PRO 154 Ca 0.51 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.74 3kbr s PRO 154 Cb -0.10 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.39 3kbr s PRO 154 CO 0.27 0.43 0.00 0.41 -0.33 0.00 0.00 177.00 177.78 3kbr n GLY 155 N 1.04 0.44 0.00 0.52 0.00 -1.26 -4.93 105.19 101.00 3kbr n GLY 155 Ca -0.02 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3kbr n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbr n GLY 156 N -2.94 6.46 0.16 -0.02 0.00 -1.26 -4.34 105.19 103.25 3kbr n GLY 156 Ca -0.00 -1.73 0.04 0.00 0.00 0.00 0.00 46.02 44.33 3kbr n GLY 156 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kbr h THR 157 N 0.03 0.82 -0.28 2.61 1.35 -1.94 -2.65 112.91 112.84 3kbr h THR 157 Ca 0.00 -1.92 -0.01 0.00 -0.55 0.00 0.00 66.41 63.93 3kbr h THR 157 Cb 0.00 2.23 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 3kbr h THR 157 CO 0.00 0.43 0.15 0.78 -0.25 0.00 0.00 175.52 176.62 3kbr h ASN 158 N 0.00 0.36 -0.59 5.36 2.35 -1.96 0.11 115.58 121.21 3kbr h ASN 158 Ca -0.00 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 3kbr h ASN 158 Cb 1.20 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.45 3kbr h ASN 158 CO 0.06 0.37 0.10 -0.08 -1.65 0.00 0.00 177.43 176.22 3kbr h GLU 159 N 0.33 0.98 -0.75 0.81 4.81 -1.68 -1.44 114.58 117.64 3kbr h GLU 159 Ca 0.10 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 3kbr h GLU 159 Cb 0.09 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 3kbr h GLU 159 CO -0.01 0.92 0.41 -0.22 -0.73 0.00 0.00 179.01 179.38 3kbr h LYS 160 N 0.88 1.05 -0.48 1.92 3.64 -1.34 -1.05 116.57 121.18 3kbr h LYS 160 Ca 0.18 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3kbr h LYS 160 Cb 0.42 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3kbr h LYS 160 CO 0.01 0.78 0.10 0.35 -2.27 0.00 0.00 179.45 178.43 3kbr h PHE 161 N 1.04 0.81 -0.16 1.91 3.57 -0.71 -1.39 116.94 122.01 3kbr h PHE 161 Ca 0.26 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 3kbr h PHE 161 Cb 0.04 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3kbr h PHE 161 CO 0.00 0.74 0.09 0.00 -2.23 0.00 0.00 178.31 176.91 3kbr h ALA 162 N 0.97 0.20 0.00 2.41 0.00 -1.01 -2.11 119.26 119.72 3kbr h ALA 162 Ca 0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3kbr h ALA 162 Cb 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kbr h ALA 162 CO 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 179.25 178.77 3kbr h ARG 163 N 0.16 0.00 0.00 0.00 3.08 -1.08 0.98 114.38 117.52 3kbr h ARG 163 Ca 0.06 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 3kbr h ARG 163 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3kbr h ARG 163 CO -0.01 0.22 -0.57 0.00 -1.07 0.00 0.00 179.97 178.54 3kbr h ALA 164 N 1.78 0.71 -0.00 0.04 0.00 -1.07 -3.38 119.26 117.35 3kbr h ALA 164 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3kbr h ALA 164 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3kbr h ALA 164 CO 0.03 0.54 -0.04 0.09 0.00 0.00 0.00 179.25 179.86 3kbr n ASN 165 N -3.13 0.70 -4.00 0.00 4.13 -0.81 -4.93 115.26 107.22 3kbr n ASN 165 Ca 0.01 -0.85 -0.31 0.00 1.68 0.00 0.00 54.58 55.11 3kbr n ASN 165 Cb 0.71 0.44 -0.15 0.00 -1.54 0.00 0.00 39.78 39.24 3kbr n ASN 165 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3kbr s LEU 166 N -1.03 3.01 -0.00 3.41 1.43 0.31 -4.89 118.68 120.92 3kbr s LEU 166 Ca 0.02 -1.30 0.17 0.00 -1.03 0.00 0.00 54.13 51.99 3kbr s LEU 166 Cb 0.02 -1.35 -0.19 0.00 0.03 0.00 0.00 46.19 44.69 3kbr s LEU 166 CO 0.05 -0.22 0.69 0.29 0.23 0.00 0.00 176.35 177.40 3kbr n LYS 167 N 4.55 1.40 -0.01 1.70 4.76 -1.26 -4.72 118.16 124.58 3kbr n LYS 167 Ca -0.13 -0.01 -0.01 0.00 -2.87 0.00 0.00 58.31 55.30 3kbr n LYS 167 Cb 0.43 -1.30 -0.00 0.00 -1.84 0.00 0.00 35.03 32.32 3kbr n LYS 167 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3kbr n LYS 168 N -1.44 0.02 -1.55 1.97 5.02 -1.26 -5.06 118.16 115.86 3kbr n LYS 168 Ca 0.03 0.01 -0.35 0.00 -2.02 0.00 0.00 58.31 55.98 3kbr n LYS 168 Cb 0.27 -0.81 0.08 0.00 -0.02 0.00 0.00 35.03 34.55 3kbr n LYS 168 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kbr s ALA 169 N -2.02 2.21 0.17 7.82 0.00 -1.23 -4.08 121.76 124.64 3kbr s ALA 169 Ca -0.01 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 3kbr s ALA 169 Cb 0.00 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 3kbr s ALA 169 CO 0.02 -1.74 1.04 0.50 0.00 0.00 0.00 175.76 175.58 3kbr s ARG 170 N -3.77 4.66 -0.26 0.00 3.52 0.46 -4.92 118.95 118.63 3kbr s ARG 170 Ca 0.76 1.62 -0.07 0.00 -0.13 0.00 0.00 55.73 57.91 3kbr s ARG 170 Cb -0.30 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 29.76 3kbr s ARG 170 CO 0.43 0.17 0.07 0.42 -0.81 0.00 0.00 175.30 175.58 3kbr s ILE 171 N -0.32 4.23 -0.32 4.11 1.01 -1.26 -0.14 121.20 128.50 3kbr s ILE 171 Ca 0.47 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.78 3kbr s ILE 171 Cb -0.27 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.20 3kbr s ILE 171 CO 0.33 0.30 0.14 -0.22 0.00 0.00 0.00 174.94 175.50 3kbr s LEU 172 N 1.59 4.14 -0.18 2.97 2.96 0.38 -4.97 118.68 125.57 3kbr s LEU 172 Ca 0.06 -0.65 -0.21 0.00 -0.22 0.00 0.00 54.13 53.10 3kbr s LEU 172 Cb -0.15 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 3kbr s LEU 172 CO 0.03 -0.22 0.66 -0.69 -1.32 0.00 0.00 176.35 174.80 3kbr s VAL 173 N 1.57 5.01 -0.22 1.68 1.01 -1.26 -0.62 120.40 127.57 3kbr s VAL 173 Ca 0.04 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.27 3kbr s VAL 173 Cb -0.17 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 32.29 3kbr s VAL 173 CO 0.05 0.12 -0.04 -2.28 0.00 0.00 0.00 175.10 172.95 3kbr s HIS 174 N 1.81 2.12 0.16 5.22 2.46 0.36 -4.95 115.29 122.47 3kbr s HIS 174 Ca 0.31 -1.56 0.16 0.00 0.47 0.00 0.00 55.06 54.44 3kbr s HIS 174 Cb -0.16 -1.47 0.53 0.00 -0.13 0.00 0.00 32.58 31.35 3kbr s HIS 174 CO 0.11 -0.74 1.67 -1.35 -2.47 0.00 0.00 174.74 171.96 3kbr h PRO 175 N 8.01 0.00 -5.37 2.88 0.11 -1.96 -3.38 132.00 132.28 3kbr h PRO 175 Ca -0.18 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.28 3kbr h PRO 175 Cb 1.08 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.04 3kbr h PRO 175 CO 0.40 0.46 0.76 0.34 -0.21 0.00 0.00 178.00 179.74 3kbr s ASP 176 N -6.53 6.37 0.62 -2.05 3.68 -1.26 -4.89 116.67 112.62 3kbr s ASP 176 Ca 0.00 -1.41 0.40 0.00 2.13 0.00 0.00 52.55 53.67 3kbr s ASP 176 Cb 0.11 -2.43 2.03 0.00 -1.45 0.00 0.00 42.92 41.18 3kbr s ASP 176 CO 0.71 -1.32 2.23 0.78 0.13 0.00 0.00 175.17 177.71 3kbr h ASN 177 N 9.33 0.00 0.43 -0.34 2.35 -2.01 -1.85 115.58 123.48 3kbr h ASN 177 Ca -0.08 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 3kbr h ASN 177 Cb 1.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 3kbr h ASN 177 CO 1.18 0.01 -0.36 0.58 -1.65 0.00 0.00 177.43 177.19 3kbr h VAL 178 N 0.00 1.17 -0.01 2.81 2.07 -1.98 -3.25 116.25 117.06 3kbr h VAL 178 Ca -0.00 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.26 3kbr h VAL 178 Cb 0.18 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3kbr h VAL 178 CO 0.00 0.35 0.00 0.35 0.02 0.00 0.00 177.57 178.29 3kbr n THR 179 N -3.99 0.01 -0.22 2.57 -2.24 -0.73 -4.75 114.28 104.92 3kbr n THR 179 Ca -0.02 -0.50 -0.07 0.00 -2.27 0.00 0.00 64.05 61.19 3kbr n THR 179 Cb 0.41 1.18 0.04 0.00 -2.10 0.00 0.00 70.33 69.86 3kbr n THR 179 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3kbr h ILE 180 N 1.77 1.21 0.00 2.28 2.10 -1.49 -1.73 117.51 121.65 3kbr h ILE 180 Ca 0.00 -0.56 -0.10 0.00 1.08 0.00 0.00 64.86 65.28 3kbr h ILE 180 Cb 0.38 0.43 -0.01 0.00 -1.09 0.00 0.00 36.82 36.52 3kbr h ILE 180 CO 0.00 0.24 -0.48 -0.26 -1.08 0.00 0.00 178.15 176.56 3kbr h PHE 181 N 0.86 0.00 0.00 2.19 0.04 -1.85 -2.58 116.94 115.59 3kbr h PHE 181 Ca 0.22 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.97 3kbr h PHE 181 Cb 0.08 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 3kbr h PHE 181 CO -0.00 0.48 -0.08 0.37 -0.60 0.00 0.00 178.31 178.48 3kbr h GLN 182 N 0.00 0.00 0.00 1.51 5.75 -1.64 -2.14 115.11 118.59 3kbr h GLN 182 Ca -0.00 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.41 3kbr h GLN 182 Cb 0.95 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.49 3kbr h GLN 182 CO 0.06 0.08 -0.39 1.96 -2.65 0.00 0.00 178.83 177.89 3kbr h GLN 183 N 0.00 0.00 0.02 1.69 1.08 -1.10 0.98 115.11 117.79 3kbr h GLN 183 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3kbr h GLN 183 Cb 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 3kbr h GLN 183 CO 0.01 0.39 -0.01 0.82 -0.95 0.00 0.00 178.83 179.09 3kbr h ILE 184 N 0.00 1.32 -0.97 2.54 2.04 -1.50 0.12 117.51 121.05 3kbr h ILE 184 Ca -0.00 -1.08 0.07 0.00 1.00 0.00 0.00 64.86 64.85 3kbr h ILE 184 Cb 0.73 2.04 -0.07 0.00 -0.74 0.00 0.00 36.82 38.78 3kbr h ILE 184 CO 0.05 0.27 0.63 0.58 0.00 0.00 0.00 178.15 179.68 3kbr h VAL 185 N -0.50 1.06 0.00 1.67 2.07 -1.45 -1.75 116.25 117.35 3kbr h VAL 185 Ca -0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3kbr h VAL 185 Cb 0.48 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3kbr h VAL 185 CO 0.01 0.20 0.00 0.47 0.02 0.00 0.00 177.57 178.27 3kbr n ASP 186 N -4.51 0.00 0.00 0.57 10.43 0.32 -4.91 116.55 118.46 3kbr n ASP 186 Ca 0.15 -0.48 0.00 0.00 2.57 0.00 0.00 54.79 57.03 3kbr n ASP 186 Cb 0.21 -0.16 0.00 0.00 1.84 0.00 0.00 41.12 43.01 3kbr n ASP 186 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3kbr n GLY 187 N 0.99 0.66 0.20 0.44 0.00 -0.66 -4.91 105.19 101.93 3kbr n GLY 187 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 3kbr n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kbr h LYS 188 N 2.03 0.00 -3.42 1.61 6.56 -1.22 -3.46 116.57 118.68 3kbr h LYS 188 Ca 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.51 3kbr h LYS 188 Cb 0.00 0.00 -0.15 0.00 -0.57 0.00 0.00 32.23 31.51 3kbr h LYS 188 CO 0.00 0.00 -0.22 0.00 -2.06 0.00 0.00 179.45 177.17 3kbr s ALA 189 N -3.29 -0.66 -0.00 3.86 0.00 -1.16 -4.97 121.76 115.54 3kbr s ALA 189 Ca 0.06 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.93 3kbr s ALA 189 Cb 0.08 0.45 -0.25 0.00 0.00 0.00 0.00 23.12 23.39 3kbr s ALA 189 CO 0.61 -0.49 0.83 -0.44 0.00 0.00 0.00 175.76 176.26 3kbr h ASP 190 N 2.90 0.21 -0.57 0.00 3.32 -1.19 -3.39 116.42 117.70 3kbr h ASP 190 Ca -0.33 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.39 3kbr h ASP 190 Cb 1.21 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3kbr h ASP 190 CO 0.48 1.28 0.00 0.00 -1.72 0.00 0.00 179.24 179.28 3kbr n LEU 191 N -3.32 0.00 0.00 1.55 -0.00 -1.19 -4.22 117.00 109.82 3kbr n LEU 191 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 3kbr n LEU 191 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.45 3kbr n LEU 191 CO 0.48 0.00 0.00 1.07 -0.00 0.00 0.00 177.39 178.94 3kbr n THR 194 N 0.00 0.00 -1.62 1.47 5.66 -0.76 -1.48 114.28 117.55 3kbr n THR 194 Ca 0.00 0.00 -0.46 0.00 -3.05 0.00 0.00 64.05 60.54 3kbr n THR 194 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 3kbr n THR 194 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3kbr n ASP 195 N 0.00 1.86 -0.35 1.09 8.00 -1.26 -0.37 116.55 125.52 3kbr n ASP 195 Ca 0.00 1.15 0.04 0.00 0.71 0.00 0.00 54.79 56.69 3kbr n ASP 195 Cb 0.00 -1.31 0.19 0.00 -0.02 0.00 0.00 41.12 39.98 3kbr n ASP 195 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kbr h ALA 196 N 3.28 1.37 -0.79 2.24 0.00 -1.38 0.54 119.26 124.53 3kbr h ALA 196 Ca -0.43 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 3kbr h ALA 196 Cb 1.32 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3kbr h ALA 196 CO 0.69 0.30 0.43 0.97 0.00 0.00 0.00 179.25 181.64 3kbr h ILE 197 N 1.04 1.23 -0.29 0.00 2.10 -1.89 0.16 117.51 119.86 3kbr h ILE 197 Ca 0.44 -0.59 -0.09 0.00 1.08 0.00 0.00 64.86 65.70 3kbr h ILE 197 Cb 0.30 0.17 -0.01 0.00 -1.09 0.00 0.00 36.82 36.19 3kbr h ILE 197 CO -0.21 0.26 -0.18 -0.08 -1.08 0.00 0.00 178.15 176.86 3kbr h GLU 198 N 1.10 0.64 -0.67 2.19 4.81 -1.58 -2.06 114.58 119.01 3kbr h GLU 198 Ca 0.28 -0.30 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3kbr h GLU 198 Cb 0.03 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 3kbr h GLU 198 CO -0.04 0.88 0.40 0.00 -0.73 0.00 0.00 179.01 179.52 3kbr h ALA 199 N 0.74 0.89 -0.31 2.92 0.00 -0.56 0.17 119.26 123.12 3kbr h ALA 199 Ca 0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kbr h ALA 199 Cb 0.71 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3kbr h ALA 199 CO 0.05 0.12 0.12 -0.09 0.00 0.00 0.00 179.25 179.45 3kbr h ARG 200 N 0.76 0.47 -0.35 0.00 2.43 -0.91 -1.38 114.38 115.40 3kbr h ARG 200 Ca 0.29 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3kbr h ARG 200 Cb 0.10 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3kbr h ARG 200 CO -0.14 0.49 0.06 1.25 -1.51 0.00 0.00 179.97 180.12 3kbr h LEU 201 N 0.35 0.55 -1.38 3.80 6.46 -0.99 -2.76 115.31 121.34 3kbr h LEU 201 Ca 0.10 -0.25 -0.04 0.00 -0.12 0.00 0.00 57.88 57.57 3kbr h LEU 201 Cb 0.20 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 3kbr h LEU 201 CO -0.01 0.67 -0.04 1.56 -0.62 0.00 0.00 178.44 180.00 3kbr h GLN 202 N 0.42 0.36 0.00 1.25 1.08 -0.91 -0.75 115.11 116.56 3kbr h GLN 202 Ca 0.11 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3kbr h GLN 202 Cb 0.35 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 3kbr h GLN 202 CO 0.01 0.42 0.00 0.66 -0.95 0.00 0.00 178.83 178.97 3kbr h SER 203 N 0.35 0.00 0.13 1.46 4.64 -0.98 0.28 113.55 119.43 3kbr h SER 203 Ca 0.08 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.17 3kbr h SER 203 Cb 0.30 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3kbr h SER 203 CO 0.01 0.00 -1.11 -0.09 -0.87 0.00 0.00 176.83 174.77 3kbr h ARG 204 N 0.00 0.28 0.00 4.77 9.65 -0.92 -3.14 114.38 125.01 3kbr h ARG 204 Ca 0.00 -0.47 -0.03 0.00 -1.10 0.00 0.00 59.98 58.38 3kbr h ARG 204 Cb 0.45 0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 29.20 3kbr h ARG 204 CO 0.00 1.23 -0.13 -0.07 2.80 0.00 0.00 179.97 183.79 3kbr h LEU 205 N -0.34 0.00 -6.72 3.80 3.38 -0.65 -3.35 115.31 111.43 3kbr h LEU 205 Ca -0.22 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.15 3kbr h LEU 205 Cb 1.70 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 42.06 3kbr h LEU 205 CO 0.11 0.13 -0.81 -1.00 0.09 0.00 0.00 178.44 176.96 3kbr s HIS 206 N -4.73 1.70 0.65 1.13 3.76 0.92 -4.96 115.29 113.77 3kbr s HIS 206 Ca -0.04 -2.39 0.29 0.00 -0.15 0.00 0.00 55.06 52.77 3kbr s HIS 206 Cb 0.16 -1.51 1.56 0.00 1.11 0.00 0.00 32.58 33.90 3kbr s HIS 206 CO 0.68 -0.77 1.89 -1.35 -0.85 0.00 0.00 174.74 174.34 3kbr h PRO 207 N 6.21 0.00 -0.33 8.40 0.11 -1.69 0.78 132.00 145.48 3kbr h PRO 207 Ca 0.12 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.33 3kbr h PRO 207 Cb 0.90 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 3kbr h PRO 207 CO 0.44 0.00 0.30 1.05 -0.21 0.00 0.00 178.00 179.58 3kbr h GLU 208 N 0.00 0.00 -6.23 1.05 4.11 -1.93 -3.44 114.58 108.14 3kbr h GLU 208 Ca 0.03 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.87 3kbr h GLU 208 Cb 0.78 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.95 3kbr h GLU 208 CO -0.00 0.00 -0.59 -0.51 0.07 0.00 0.00 179.01 177.98 3kbr s LEU 209 N -8.00 3.68 0.02 3.06 1.43 0.27 -2.37 118.68 116.76 3kbr s LEU 209 Ca -0.05 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 3kbr s LEU 209 Cb 0.17 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 3kbr s LEU 209 CO 0.61 0.09 -0.11 0.00 0.23 0.00 0.00 176.35 177.17 3kbr s ALA 211 N -0.60 3.51 0.36 0.00 0.00 -1.26 -1.56 121.76 122.21 3kbr s ALA 211 Ca 0.01 0.05 -0.27 0.00 0.00 0.00 0.00 51.96 51.74 3kbr s ALA 211 Cb -0.06 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 3kbr s ALA 211 CO 0.00 -0.64 1.24 0.08 0.00 0.00 0.00 175.76 176.44 3kbr s VAL 212 N 2.12 2.92 -0.43 0.00 1.01 -0.16 -5.00 120.40 120.87 3kbr s VAL 212 Ca 0.38 0.86 0.06 0.00 0.00 0.00 0.00 61.98 63.28 3kbr s VAL 212 Cb -0.17 -3.52 0.20 0.00 0.00 0.00 0.00 36.38 32.89 3kbr s VAL 212 CO 0.13 0.15 0.48 0.00 0.00 0.00 0.00 175.10 175.86 3kbr n HIS 213 N 0.49 -1.41 -0.90 5.22 1.44 -1.26 -4.70 115.22 114.10 3kbr n HIS 213 Ca 0.02 -2.97 -0.29 0.00 -2.01 0.00 0.00 57.72 52.47 3kbr n HIS 213 Cb 0.44 0.39 0.22 0.00 0.12 0.00 0.00 29.99 31.16 3kbr n HIS 213 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 3kbr s PRO 214 N -0.07 -0.47 0.37 -1.40 0.02 -1.26 -4.99 135.00 127.20 3kbr s PRO 214 Ca 0.33 0.52 0.27 0.00 0.02 0.00 0.00 61.00 62.14 3kbr s PRO 214 Cb 0.08 -1.63 1.26 0.00 0.02 0.00 0.00 34.50 34.22 3kbr s PRO 214 CO -0.16 -3.34 1.33 0.94 -0.33 0.00 0.00 177.00 175.44 3kbr n GLN 215 N -4.60 -0.03 -3.90 5.54 -0.06 -1.26 -4.84 117.38 108.23 3kbr n GLN 215 Ca 0.05 1.07 -0.10 0.00 -2.00 0.00 0.00 57.00 56.02 3kbr n GLN 215 Cb 0.57 -2.10 -0.10 0.00 -4.06 0.00 0.00 30.24 24.55 3kbr n GLN 215 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 3kbr s PRO 217 N -5.02 0.45 -0.05 3.69 0.02 -1.26 -5.25 135.00 127.57 3kbr s PRO 217 Ca -0.06 -0.48 -0.04 0.00 0.02 0.00 0.00 61.00 60.43 3kbr s PRO 217 Cb 0.26 0.18 -0.28 0.00 0.02 0.00 0.00 34.50 34.69 3kbr s PRO 217 CO 0.69 -0.10 0.66 0.35 -0.33 0.00 0.00 177.00 178.27 3kbr h PHE 218 N 4.32 0.48 -2.01 6.54 3.57 -1.88 -3.47 116.94 124.48 3kbr h PHE 218 Ca -0.31 -0.35 -0.06 0.00 3.53 0.00 0.00 57.97 60.78 3kbr h PHE 218 Cb 1.20 -0.02 -0.19 0.00 2.79 0.00 0.00 35.95 39.73 3kbr h PHE 218 CO 0.61 1.52 0.18 0.34 -2.23 0.00 0.00 178.31 178.73 3kbr s ASP 219 N -6.98 -0.66 -0.08 0.41 2.15 -1.24 -4.99 116.67 105.28 3kbr s ASP 219 Ca -0.14 0.78 0.02 0.00 0.43 0.00 0.00 52.55 53.64 3kbr s ASP 219 Cb 0.06 0.62 -0.02 0.00 -0.30 0.00 0.00 42.92 43.28 3kbr s ASP 219 CO 0.83 -0.58 -0.14 0.12 -0.17 0.00 0.00 175.17 175.23 3kbr s PHE 220 N -1.06 2.75 0.15 -5.34 5.36 -1.26 -4.28 117.98 114.30 3kbr s PHE 220 Ca -0.10 -0.35 -0.18 0.00 -0.96 0.00 0.00 56.93 55.34 3kbr s PHE 220 Cb -0.00 -1.72 0.04 0.00 -0.34 0.00 0.00 43.02 41.00 3kbr s PHE 220 CO 0.09 0.03 0.47 0.00 -1.46 0.00 0.00 175.22 174.35 3kbr s ALA 221 N -0.29 -1.10 0.11 11.12 0.00 -0.89 -4.82 121.76 125.90 3kbr s ALA 221 Ca 0.02 0.05 0.11 0.00 0.00 0.00 0.00 51.96 52.14 3kbr s ALA 221 Cb -0.13 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 3kbr s ALA 221 CO 0.03 -0.71 -0.26 -1.21 0.00 0.00 0.00 175.76 173.61 3kbr s GLU 222 N -3.80 1.44 0.11 0.00 2.02 -1.26 0.49 118.70 117.69 3kbr s GLU 222 Ca 0.04 -1.30 -0.16 0.00 0.02 0.00 0.00 54.97 53.57 3kbr s GLU 222 Cb 0.01 -1.87 -0.07 0.00 0.10 0.00 0.00 34.13 32.30 3kbr s GLU 222 CO -0.10 0.45 0.54 0.15 0.02 0.00 0.00 175.26 176.32 3kbr s LYS 223 N -1.92 4.04 0.35 1.61 -0.14 0.22 -0.75 119.74 123.14 3kbr s LYS 223 Ca 0.13 0.55 -0.13 0.00 -1.36 0.00 0.00 55.97 55.17 3kbr s LYS 223 Cb -0.10 -3.05 0.03 0.00 -1.68 0.00 0.00 37.83 33.04 3kbr s LYS 223 CO 0.05 0.55 0.67 0.00 -0.76 0.00 0.00 175.35 175.86 3kbr s ALA 224 N -1.33 -0.38 -0.16 5.17 0.00 -0.53 -1.06 121.76 123.47 3kbr s ALA 224 Ca 0.34 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 51.32 3kbr s ALA 224 Cb -0.16 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 3kbr s ALA 224 CO 0.19 -0.93 0.13 0.71 0.00 0.00 0.00 175.76 175.85 3kbr s TYR 225 N -2.85 3.48 -0.08 0.00 2.02 -1.26 -4.25 117.35 114.40 3kbr s TYR 225 Ca 0.19 0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 57.00 3kbr s TYR 225 Cb -0.04 -2.04 -0.02 0.00 -0.40 0.00 0.00 41.96 39.47 3kbr s TYR 225 CO 0.13 0.50 1.02 -1.17 -1.57 0.00 0.00 175.55 174.46 3kbr s LEU 226 N -0.34 4.27 0.14 -1.29 2.96 -0.80 -0.81 118.68 122.83 3kbr s LEU 226 Ca 0.11 1.59 0.09 0.00 -0.22 0.00 0.00 54.13 55.70 3kbr s LEU 226 Cb -0.12 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 3kbr s LEU 226 CO 0.01 -0.42 -0.20 -0.76 -1.32 0.00 0.00 176.35 173.66 3kbr s LEU 227 N 1.82 2.38 0.93 -0.68 1.43 0.19 -1.48 118.68 123.28 3kbr s LEU 227 Ca 0.50 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 3kbr s LEU 227 Cb -0.20 -0.89 0.15 0.00 0.03 0.00 0.00 46.19 45.28 3kbr s LEU 227 CO 0.20 0.02 1.09 -2.16 0.23 0.00 0.00 176.35 175.74 3kbr s PRO 228 N -2.41 1.00 -1.15 1.29 0.04 -1.26 -0.31 135.00 132.20 3kbr s PRO 228 Ca 0.12 0.85 -0.22 0.00 0.04 0.00 0.00 61.00 61.80 3kbr s PRO 228 Cb -0.08 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 3kbr s PRO 228 CO 0.06 -2.43 1.84 1.03 0.04 0.00 0.00 177.00 177.54 3kbr s ARG 229 N -4.88 3.00 -0.22 4.56 0.52 -1.26 -4.28 118.95 116.40 3kbr s ARG 229 Ca 0.64 -1.22 -0.04 0.00 -0.52 0.00 0.00 55.73 54.59 3kbr s ARG 229 Cb -0.19 -5.30 0.10 0.00 0.52 0.00 0.00 34.95 30.08 3kbr s ARG 229 CO 0.58 -3.25 0.21 0.34 0.02 0.00 0.00 175.30 173.20 3kbr s ASP 230 N 6.02 1.69 0.07 0.23 -1.08 -1.26 -5.05 116.67 117.28 3kbr s ASP 230 Ca 0.63 -0.42 -0.24 0.00 -0.52 0.00 0.00 52.55 52.00 3kbr s ASP 230 Cb -0.00 0.28 -0.16 0.00 -1.46 0.00 0.00 42.92 41.57 3kbr s ASP 230 CO 0.07 -0.35 1.64 -0.33 0.52 0.00 0.00 175.17 176.72 3kbr h GLU 231 N 8.32 0.00 -0.30 4.34 4.39 -1.99 -1.53 114.58 127.81 3kbr h GLU 231 Ca -0.17 -0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.42 3kbr h GLU 231 Cb 1.13 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3kbr h GLU 231 CO 0.30 0.11 -0.29 0.00 -1.16 0.00 0.00 179.01 177.98 3kbr h ALA 232 N 0.89 0.93 -0.28 3.43 0.00 -1.99 -0.70 119.26 121.54 3kbr h ALA 232 Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 3kbr h ALA 232 Cb 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kbr h ALA 232 CO -0.00 0.61 -0.34 0.35 0.00 0.00 0.00 179.25 179.87 3kbr h PHE 233 N 0.54 0.89 -0.64 0.00 3.57 -1.96 -1.79 116.94 117.55 3kbr h PHE 233 Ca 0.07 -0.28 0.01 0.00 3.53 0.00 0.00 57.97 61.30 3kbr h PHE 233 Cb 0.77 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 3kbr h PHE 233 CO 0.03 1.05 0.42 -0.22 -2.23 0.00 0.00 178.31 177.36 3kbr h LYS 234 N 0.48 0.83 -0.42 1.11 3.64 -1.03 -0.73 116.57 120.44 3kbr h LYS 234 Ca 0.04 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3kbr h LYS 234 Cb 0.92 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 3kbr h LYS 234 CO 0.08 0.55 0.11 0.00 -2.27 0.00 0.00 179.45 177.92 3kbr h ARG 235 N 0.86 0.63 0.06 1.90 3.08 -0.95 0.56 114.38 120.51 3kbr h ARG 235 Ca 0.24 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 3kbr h ARG 235 Cb -0.08 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.86 3kbr h ARG 235 CO -0.06 0.57 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.46 3kbr h TYR 236 N 0.61 -0.07 -0.70 3.04 3.20 -0.95 -1.31 116.97 120.80 3kbr h TYR 236 Ca 0.14 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.03 3kbr h TYR 236 Cb 0.23 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 3kbr h TYR 236 CO 0.01 0.27 0.45 0.28 -1.64 0.00 0.00 178.16 177.53 3kbr h VAL 237 N -0.42 1.15 -0.67 1.81 2.07 -0.85 -0.34 116.25 118.99 3kbr h VAL 237 Ca -0.01 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 3kbr h VAL 237 Cb 0.38 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3kbr h VAL 237 CO 0.01 0.17 0.21 0.44 0.02 0.00 0.00 177.57 178.42 3kbr h ASP 238 N 0.91 0.96 -0.54 0.57 3.32 -0.89 -0.14 116.42 120.61 3kbr h ASP 238 Ca 0.27 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 3kbr h ASP 238 Cb -0.06 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 3kbr h ASP 238 CO -0.08 0.89 0.07 -0.61 -1.72 0.00 0.00 179.24 177.80 3kbr h GLN 239 N 0.99 0.90 -0.42 3.56 5.75 -0.52 0.15 115.11 125.53 3kbr h GLN 239 Ca 0.22 -0.25 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 3kbr h GLN 239 Cb 0.28 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 3kbr h GLN 239 CO -0.01 0.88 0.17 2.35 -2.65 0.00 0.00 178.83 179.57 3kbr h TRP 240 N 0.79 0.64 -0.12 3.99 7.01 -0.72 -1.43 115.95 126.10 3kbr h TRP 240 Ca 0.16 -0.05 -0.15 0.00 2.11 0.00 0.00 58.89 60.96 3kbr h TRP 240 Cb 0.43 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 3kbr h TRP 240 CO 0.03 0.56 -0.57 1.25 -2.79 0.00 0.00 178.44 176.92 3kbr h LEU 241 N 0.53 0.41 -0.51 0.65 5.85 -0.83 -2.05 115.31 119.37 3kbr h LEU 241 Ca 0.14 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 3kbr h LEU 241 Cb 0.19 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3kbr h LEU 241 CO -0.01 0.89 0.04 -0.74 -0.34 0.00 0.00 178.44 178.28 3kbr h HIS 242 N 0.28 0.94 -0.61 1.25 2.76 -0.47 0.25 115.15 119.56 3kbr h HIS 242 Ca 0.00 -0.15 -0.03 0.00 -2.20 0.00 0.00 60.37 57.99 3kbr h HIS 242 Cb 1.08 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.76 3kbr h HIS 242 CO 0.03 0.87 0.28 0.82 -1.30 0.00 0.00 177.93 178.63 3kbr h ILE 243 N 0.74 1.22 -0.49 6.26 2.04 -1.13 0.83 117.51 126.98 3kbr h ILE 243 Ca 0.15 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.37 3kbr h ILE 243 Cb 0.47 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3kbr h ILE 243 CO 0.02 0.26 0.32 0.00 0.00 0.00 0.00 178.15 178.75 3kbr h ALA 244 N 1.11 0.62 0.24 1.87 0.00 -0.99 0.33 119.26 122.44 3kbr h ALA 244 Ca 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3kbr h ALA 244 Cb 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kbr h ALA 244 CO -0.02 0.07 -0.12 1.49 0.00 0.00 0.00 179.25 180.67 3kbr h GLU 245 N 0.66 -0.31 0.00 0.00 4.81 -0.59 -0.48 114.58 118.67 3kbr h GLU 245 Ca 0.18 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.31 3kbr h GLU 245 Cb -0.07 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3kbr h GLU 245 CO -0.04 -0.08 -0.57 1.96 -0.73 0.00 0.00 179.01 179.54 3kbr h GLN 246 N -0.50 0.00 0.00 1.92 1.08 -0.71 -2.80 115.11 114.10 3kbr h GLN 246 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3kbr h GLN 246 Cb 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 3kbr h GLN 246 CO 0.05 0.57 0.00 -1.13 -0.95 0.00 0.00 178.83 177.38 3kbr n SER 247 N -3.83 0.72 0.00 1.46 3.41 0.09 -4.91 113.62 110.56 3kbr n SER 247 Ca -0.01 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 3kbr n SER 247 Cb 0.58 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 3kbr n SER 247 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kbr n GLY 248 N 0.82 0.84 0.26 5.00 0.00 -1.06 -4.95 105.19 106.11 3kbr n GLY 248 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 3kbr n GLY 248 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kbr h LEU 249 N 0.00 0.80 -0.15 0.99 5.85 -1.52 -1.56 115.31 119.71 3kbr h LEU 249 Ca 0.00 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3kbr h LEU 249 Cb 0.00 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3kbr h LEU 249 CO 0.00 0.71 0.05 0.25 -0.34 0.00 0.00 178.44 179.12 3kbr h LEU 250 N 0.83 0.06 -1.02 2.25 5.85 -1.41 -1.35 115.31 120.53 3kbr h LEU 250 Ca 0.21 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.96 3kbr h LEU 250 Cb 0.13 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3kbr h LEU 250 CO -0.02 0.06 0.66 -0.09 -0.34 0.00 0.00 178.44 178.70 3kbr h ARG 251 N 0.13 1.30 -0.20 1.25 2.43 -1.78 -2.60 114.38 114.91 3kbr h ARG 251 Ca 0.06 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3kbr h ARG 251 Cb 0.04 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 29.27 3kbr h ARG 251 CO -0.07 0.86 0.05 1.96 -1.51 0.00 0.00 179.97 181.26 3kbr h GLN 252 N 1.33 0.13 -1.62 0.20 4.20 -0.56 0.12 115.11 118.92 3kbr h GLN 252 Ca 0.37 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.07 3kbr h GLN 252 Cb -0.13 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3kbr h GLN 252 CO -0.09 0.08 0.00 0.54 -0.67 0.00 0.00 178.83 178.70 3kbr n ARG 253 N -5.07 0.40 0.00 1.46 5.12 -0.58 -1.50 116.66 116.49 3kbr n ARG 253 Ca -0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 3kbr n ARG 253 Cb 0.08 -1.30 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 3kbr n ARG 253 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3kbr n GLU 255 N 0.85 0.00 -0.05 5.56 1.02 0.43 -1.26 120.64 127.19 3kbr n GLU 255 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 3kbr n GLU 255 Cb 0.20 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.55 3kbr n GLU 255 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3kbr h HIS 256 N 0.00 0.43 0.04 -0.32 2.76 -1.51 -3.39 115.15 113.17 3kbr h HIS 256 Ca 0.00 -0.14 -0.37 0.00 -2.20 0.00 0.00 60.37 57.66 3kbr h HIS 256 Cb 0.00 -0.08 -0.05 0.00 1.55 0.00 0.00 27.41 28.83 3kbr h HIS 256 CO 0.00 0.79 -2.11 0.91 -1.30 0.00 0.00 177.93 176.22 3kbr n TRP 257 N -4.53 0.60 1.22 5.26 7.02 -0.39 -5.16 117.44 121.46 3kbr n TRP 257 Ca -0.07 0.17 0.13 0.00 -1.02 0.00 0.00 57.50 56.71 3kbr n TRP 257 Cb 0.40 -1.07 0.29 0.00 -2.42 0.00 0.00 31.31 28.50 3kbr n TRP 257 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95