#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kw1 s ARG 6 N 0.00 3.79 0.19 0.03 1.04 -1.26 -5.06 118.95 117.67 3kw1 s ARG 6 Ca 0.00 -0.44 -0.33 0.00 -1.04 0.00 0.00 55.73 53.92 3kw1 s ARG 6 Cb 0.00 -3.15 -0.13 0.00 -2.04 0.00 0.00 34.95 29.62 3kw1 s ARG 6 CO 0.00 0.13 1.59 0.28 -0.04 0.00 0.00 175.30 177.26 3kw1 n VAL 7 N 3.95 0.19 -0.16 4.99 0.31 -1.26 -1.33 118.33 125.03 3kw1 n VAL 7 Ca -0.17 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3kw1 n VAL 7 Cb 0.52 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 3kw1 n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kw1 n GLY 8 N 3.29 0.83 3.67 2.92 0.00 0.14 -5.01 105.19 111.02 3kw1 n GLY 8 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3kw1 n GLY 8 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kw1 s GLU 9 N -0.67 4.19 -0.08 1.61 2.12 -0.44 -4.77 118.70 120.65 3kw1 s GLU 9 Ca 0.00 2.30 0.00 0.00 0.36 0.00 0.00 54.97 57.63 3kw1 s GLU 9 Cb 0.00 -3.85 -0.03 0.00 0.26 0.00 0.00 34.13 30.51 3kw1 s GLU 9 CO 0.00 -0.81 -0.06 1.03 -0.54 0.00 0.00 175.26 174.88 3kw1 s ARG 10 N 3.50 2.87 -0.04 4.30 0.52 -1.26 -0.94 118.95 127.91 3kw1 s ARG 10 Ca 0.75 -0.54 0.06 0.00 -0.52 0.00 0.00 55.73 55.48 3kw1 s ARG 10 Cb -0.37 -2.63 -0.01 0.00 0.52 0.00 0.00 34.95 32.45 3kw1 s ARG 10 CO 0.32 0.61 -0.22 0.12 0.02 0.00 0.00 175.30 176.15 3kw1 s PHE 11 N -0.66 2.08 -0.12 -0.53 5.36 -0.09 -4.97 117.98 119.05 3kw1 s PHE 11 Ca 0.10 -0.52 -0.01 0.00 -0.96 0.00 0.00 56.93 55.54 3kw1 s PHE 11 Cb -0.11 -1.36 -0.02 0.00 -0.34 0.00 0.00 43.02 41.18 3kw1 s PHE 11 CO 0.02 -0.13 -0.08 -0.08 -1.46 0.00 0.00 175.22 173.49 3kw1 s THR 12 N -0.27 3.57 -0.09 0.12 -1.32 -1.26 -0.87 115.64 115.52 3kw1 s THR 12 Ca 0.02 -0.49 0.01 0.00 -1.21 0.00 0.00 61.69 60.02 3kw1 s THR 12 Cb -0.11 -2.52 0.02 0.00 -1.51 0.00 0.00 72.50 68.38 3kw1 s THR 12 CO 0.01 0.53 -0.11 -2.28 -2.21 0.00 0.00 174.62 170.57 3kw1 s HIS 13 N 0.02 1.56 0.07 9.09 2.46 0.58 -4.99 115.29 124.08 3kw1 s HIS 13 Ca -0.01 -0.69 0.04 0.00 0.47 0.00 0.00 55.06 54.87 3kw1 s HIS 13 Cb -0.14 -1.19 -0.04 0.00 -0.13 0.00 0.00 32.58 31.08 3kw1 s HIS 13 CO 0.03 -0.40 -0.01 -0.51 -2.47 0.00 0.00 174.74 171.38 3kw1 s ASP 14 N 1.10 5.00 -0.25 9.88 1.01 -1.26 -0.79 116.67 131.36 3kw1 s ASP 14 Ca -0.06 -0.16 -0.03 0.00 0.71 0.00 0.00 52.55 53.01 3kw1 s ASP 14 Cb -0.14 -1.20 0.14 0.00 1.01 0.00 0.00 42.92 42.73 3kw1 s ASP 14 CO -0.02 0.19 0.43 0.12 0.21 0.00 0.00 175.17 176.11 3kw1 s PHE 15 N -1.26 -0.98 -0.10 4.23 5.36 -0.41 -4.99 117.98 119.83 3kw1 s PHE 15 Ca 0.24 1.14 -0.29 0.00 -0.96 0.00 0.00 56.93 57.06 3kw1 s PHE 15 Cb -0.12 0.19 -0.04 0.00 -0.34 0.00 0.00 43.02 42.71 3kw1 s PHE 15 CO 0.17 -0.71 1.54 0.08 -1.46 0.00 0.00 175.22 174.83 3kw1 s VAL 16 N 2.62 3.80 -0.09 3.12 1.01 -1.26 0.03 120.40 129.64 3kw1 s VAL 16 Ca 0.12 0.96 -0.30 0.00 0.00 0.00 0.00 61.98 62.76 3kw1 s VAL 16 Cb -0.15 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3kw1 s VAL 16 CO -0.16 -0.10 1.53 -0.69 0.00 0.00 0.00 175.10 175.67 3kw1 s VAL 17 N 3.98 3.80 0.55 2.92 1.01 -0.00 -4.91 120.40 127.75 3kw1 s VAL 17 Ca 0.68 0.97 -0.07 0.00 0.00 0.00 0.00 61.98 63.55 3kw1 s VAL 17 Cb -0.29 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3kw1 s VAL 17 CO 0.25 -0.08 0.89 -2.16 0.00 0.00 0.00 175.10 174.00 3kw1 s PRO 18 N 3.84 3.39 0.54 2.72 0.05 -1.26 0.54 135.00 144.82 3kw1 s PRO 18 Ca 0.67 0.31 0.20 0.00 0.05 0.00 0.00 61.00 62.24 3kw1 s PRO 18 Cb -0.30 -2.26 1.42 0.00 0.05 0.00 0.00 34.50 33.41 3kw1 s PRO 18 CO 0.25 -0.45 2.15 -1.00 0.05 0.00 0.00 177.00 178.01 3kw1 h PRO 19 N -0.05 0.00 -0.86 0.56 0.13 -1.95 -2.96 132.00 126.88 3kw1 h PRO 19 Ca -0.46 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 3kw1 h PRO 19 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 3kw1 h PRO 19 CO 0.62 0.00 0.10 -2.39 -0.23 0.00 0.00 178.00 176.10 3kw1 n HIS 20 N -4.34 1.16 -1.79 1.56 1.44 -1.26 -4.21 115.22 107.78 3kw1 n HIS 20 Ca -0.01 -0.60 -0.21 0.00 -2.01 0.00 0.00 57.72 54.89 3kw1 n HIS 20 Cb 0.15 -0.39 0.07 0.00 0.12 0.00 0.00 29.99 29.94 3kw1 n HIS 20 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kw1 n LYS 21 N 0.12 3.05 -3.62 -1.40 4.76 -1.12 -4.77 118.16 115.17 3kw1 n LYS 21 Ca 0.18 -3.81 -0.21 0.00 -2.87 0.00 0.00 58.31 51.60 3kw1 n LYS 21 Cb 0.82 -2.17 -0.03 0.00 -1.84 0.00 0.00 35.03 31.82 3kw1 n LYS 21 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3kw1 s THR 22 N -4.35 2.94 0.24 -0.18 -4.23 -1.26 -2.02 115.64 106.78 3kw1 s THR 22 Ca 0.52 -1.34 -0.13 0.00 -1.18 0.00 0.00 61.69 59.56 3kw1 s THR 22 Cb 0.42 -3.06 0.31 0.00 1.34 0.00 0.00 72.50 71.52 3kw1 s THR 22 CO 0.02 -0.06 1.48 0.52 -0.54 0.00 0.00 174.62 176.04 3kw1 n VAL 23 N -1.50 -0.46 0.30 2.29 0.31 -1.17 -1.37 118.33 116.72 3kw1 n VAL 23 Ca 0.02 2.21 0.18 0.00 -0.01 0.00 0.00 64.34 66.75 3kw1 n VAL 23 Cb 0.61 -2.98 0.81 0.00 -0.91 0.00 0.00 33.84 31.37 3kw1 n VAL 23 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 3kw1 h ARG 24 N 0.00 0.00 0.00 5.55 0.11 -1.88 -2.16 114.38 115.99 3kw1 h ARG 24 Ca 0.38 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.44 3kw1 h ARG 24 Cb 0.62 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.70 3kw1 h ARG 24 CO -0.96 0.00 -1.14 0.72 0.10 0.00 0.00 179.97 178.69 3kw1 n HIS 25 N -3.05 0.90 -0.11 4.08 8.25 -0.47 -2.91 115.22 121.92 3kw1 n HIS 25 Ca -0.00 0.27 -0.08 0.00 -0.26 0.00 0.00 57.72 57.65 3kw1 n HIS 25 Cb 0.24 -0.95 -0.00 0.00 1.12 0.00 0.00 29.99 30.40 3kw1 n HIS 25 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3kw1 h LEU 26 N 0.00 0.37 -6.94 2.41 5.85 -1.09 -3.35 115.31 112.56 3kw1 h LEU 26 Ca -0.03 -0.00 -0.61 0.00 0.84 0.00 0.00 57.88 58.08 3kw1 h LEU 26 Cb 1.09 -0.08 -0.40 0.00 0.37 0.00 0.00 40.66 41.64 3kw1 h LEU 26 CO 0.01 0.26 -0.73 -0.31 -0.34 0.00 0.00 178.44 177.33 3kw1 s TYR 27 N -6.16 2.34 0.44 1.25 2.02 -1.23 -4.93 117.35 111.07 3kw1 s TYR 27 Ca -0.13 -2.71 0.35 0.00 -0.37 0.00 0.00 57.07 54.21 3kw1 s TYR 27 Cb 0.10 -2.02 1.80 0.00 -0.40 0.00 0.00 41.96 41.45 3kw1 s TYR 27 CO 0.71 -0.73 2.17 -1.35 -1.57 0.00 0.00 175.55 174.79 3kw1 h PRO 28 N 6.18 0.00 0.00 -1.71 0.11 -1.67 -2.15 132.00 132.76 3kw1 h PRO 28 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3kw1 h PRO 28 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3kw1 h PRO 28 CO 0.54 0.04 0.00 -0.85 -0.21 0.00 0.00 178.00 177.52 3kw1 n GLU 29 N -3.32 0.95 -3.58 1.05 0.00 -1.26 -4.77 120.64 109.71 3kw1 n GLU 29 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.74 3kw1 n GLU 29 Cb 0.19 -1.17 -0.11 0.00 0.00 0.00 0.00 31.44 30.35 3kw1 n GLU 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3kw1 s SER 30 N -1.37 5.77 0.33 -1.84 0.15 -0.81 -4.90 113.70 111.03 3kw1 s SER 30 Ca 0.15 -1.03 0.05 0.00 0.70 0.00 0.00 55.95 55.82 3kw1 s SER 30 Cb 0.07 -2.04 0.69 0.00 -1.71 0.00 0.00 66.02 63.04 3kw1 s SER 30 CO 0.12 -0.41 1.87 -0.65 1.20 0.00 0.00 173.24 175.37 3kw1 h PRO 31 N 8.46 0.81 0.00 5.44 0.11 -1.88 -2.91 132.00 142.03 3kw1 h PRO 31 Ca -0.25 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 3kw1 h PRO 31 Cb 1.10 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 3kw1 h PRO 31 CO 0.68 0.54 -0.18 0.93 -0.21 0.00 0.00 178.00 179.76 3kw1 h GLU 32 N 0.83 0.00 0.00 1.05 3.07 -1.96 -2.84 114.58 114.74 3kw1 h GLU 32 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3kw1 h GLU 32 Cb 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 3kw1 h GLU 32 CO -0.20 0.18 -1.24 1.19 -1.40 0.00 0.00 179.01 177.53 3kw1 n PHE 33 N -3.49 0.10 0.28 4.33 3.72 -1.12 -4.65 117.46 116.63 3kw1 n PHE 33 Ca -0.01 0.03 0.15 0.00 -0.05 0.00 0.00 57.45 57.57 3kw1 n PHE 33 Cb 0.34 -0.29 0.79 0.00 -0.94 0.00 0.00 39.48 39.38 3kw1 n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kw1 h ALA 34 N 2.58 1.20 0.00 4.37 0.00 -1.31 -1.79 119.26 124.31 3kw1 h ALA 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kw1 h ALA 34 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3kw1 h ALA 34 CO 0.00 -0.20 -0.05 0.39 0.00 0.00 0.00 179.25 179.39 3kw1 n GLU 35 N -2.70 1.53 -1.40 0.00 1.02 -1.26 -4.98 120.64 112.86 3kw1 n GLU 35 Ca -0.02 -2.08 -0.35 0.00 -0.02 0.00 0.00 57.16 54.69 3kw1 n GLU 35 Cb 0.26 -1.24 0.10 0.00 -0.02 0.00 0.00 31.44 30.54 3kw1 n GLU 35 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3kw1 s PHE 36 N -2.03 1.91 0.28 -0.32 0.40 -0.67 -4.95 117.98 112.60 3kw1 s PHE 36 Ca 0.20 1.59 -0.26 0.00 -0.60 0.00 0.00 56.93 57.85 3kw1 s PHE 36 Cb 0.17 -3.59 -0.16 0.00 0.51 0.00 0.00 43.02 39.95 3kw1 s PHE 36 CO 0.02 -2.92 0.56 -2.30 0.70 0.00 0.00 175.22 171.27 3kw1 n PRO 37 N -2.67 0.35 -1.88 0.24 -0.02 -1.26 -4.82 135.00 124.94 3kw1 n PRO 37 Ca 0.15 0.12 -0.42 0.00 -2.02 0.00 0.00 63.50 61.33 3kw1 n PRO 37 Cb 0.49 -1.24 -0.00 0.00 -0.02 0.00 0.00 33.50 32.74 3kw1 n PRO 37 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kw1 n GLU 38 N 0.94 3.16 -4.35 -0.52 -0.58 -1.26 -4.55 120.64 113.47 3kw1 n GLU 38 Ca 0.14 -2.86 -0.24 0.00 -0.42 0.00 0.00 57.16 53.79 3kw1 n GLU 38 Cb 0.31 -3.14 -0.12 0.00 -0.57 0.00 0.00 31.44 27.91 3kw1 n GLU 38 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3kw1 s VAL 39 N 2.24 1.95 -0.23 2.62 -7.23 -1.26 -4.45 120.40 114.04 3kw1 s VAL 39 Ca 0.46 -1.86 -0.40 0.00 -1.81 0.00 0.00 61.98 58.37 3kw1 s VAL 39 Cb 0.13 -1.86 -0.16 0.00 0.56 0.00 0.00 36.38 35.05 3kw1 s VAL 39 CO -0.06 -0.20 1.68 0.33 -0.31 0.00 0.00 175.10 176.54 3kw1 n PHE 40 N 0.47 1.96 -2.55 2.82 7.35 -0.01 -3.06 117.46 124.44 3kw1 n PHE 40 Ca -0.14 0.57 -0.40 0.00 -0.76 0.00 0.00 57.45 56.72 3kw1 n PHE 40 Cb 0.56 -2.43 -0.05 0.00 0.35 0.00 0.00 39.48 37.91 3kw1 n PHE 40 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kw1 s ALA 41 N 3.07 3.37 0.24 3.13 0.00 -0.86 -4.79 121.76 125.93 3kw1 s ALA 41 Ca 0.97 0.81 -0.13 0.00 0.00 0.00 0.00 51.96 53.61 3kw1 s ALA 41 Cb -1.07 -3.29 0.31 0.00 0.00 0.00 0.00 23.12 19.07 3kw1 s ALA 41 CO 0.64 -0.06 1.59 1.15 0.00 0.00 0.00 175.76 179.07 3kw1 h THR 42 N 3.06 0.16 -0.57 0.00 2.02 -1.93 -0.53 112.91 115.12 3kw1 h THR 42 Ca -0.46 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 3kw1 h THR 42 Cb 1.21 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 3kw1 h THR 42 CO 0.67 0.00 0.33 1.23 0.37 0.00 0.00 175.52 178.12 3kw1 h GLY 43 N -0.02 0.82 2.00 2.16 0.00 -1.98 -0.07 103.07 105.98 3kw1 h GLY 43 Ca 0.37 -0.34 -0.16 0.00 0.00 0.00 0.00 47.33 47.20 3kw1 h GLY 43 CO -0.84 0.33 -0.78 0.74 0.00 0.00 0.00 176.54 175.98 3kw1 h PHE 44 N 0.78 0.00 -0.17 5.60 0.04 -1.65 -1.85 116.94 119.69 3kw1 h PHE 44 Ca 0.20 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.78 3kw1 h PHE 44 Cb -0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.14 3kw1 h PHE 44 CO 0.00 0.78 -0.66 1.98 -0.60 0.00 0.00 178.31 179.82 3kw1 h MET 45 N 0.00 0.65 -0.63 1.51 4.05 -0.44 -1.35 114.93 118.71 3kw1 h MET 45 Ca -0.01 -0.47 0.05 0.00 -0.28 0.00 0.00 59.70 58.99 3kw1 h MET 45 Cb 1.47 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 32.30 3kw1 h MET 45 CO 0.10 1.09 0.35 0.28 0.23 0.00 0.00 176.91 178.97 3kw1 h VAL 46 N 0.47 0.99 0.00 -5.77 2.07 -0.99 0.38 116.25 113.39 3kw1 h VAL 46 Ca -0.02 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 3kw1 h VAL 46 Cb 1.25 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3kw1 h VAL 46 CO 0.13 0.12 -0.31 1.23 0.02 0.00 0.00 177.57 178.76 3kw1 h GLY 47 N 0.67 0.00 1.70 2.17 0.00 -0.90 -1.16 103.07 105.54 3kw1 h GLY 47 Ca 0.28 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.41 3kw1 h GLY 47 CO -0.16 0.00 -0.83 -2.00 0.00 0.00 0.00 176.54 173.55 3kw1 h LEU 48 N 0.00 0.34 -0.74 3.11 5.85 -0.74 -0.86 115.31 122.27 3kw1 h LEU 48 Ca -0.00 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.36 3kw1 h LEU 48 Cb 0.95 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 3kw1 h LEU 48 CO 0.04 1.03 -0.10 0.24 -0.34 0.00 0.00 178.44 179.31 3kw1 h MET 49 N 0.17 0.86 0.02 1.25 2.86 -0.24 -2.14 114.93 117.70 3kw1 h MET 49 Ca -0.04 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.31 3kw1 h MET 49 Cb 1.43 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.02 3kw1 h MET 49 CO 0.13 0.92 -0.01 0.93 1.06 0.00 0.00 176.91 179.94 3kw1 h GLU 50 N 0.77 -0.02 -0.68 1.72 5.08 -1.09 -2.73 114.58 117.63 3kw1 h GLU 50 Ca 0.13 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.64 3kw1 h GLU 50 Cb 0.60 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.75 3kw1 h GLU 50 CO 0.04 0.27 0.10 2.35 -1.00 0.00 0.00 179.01 180.77 3kw1 h TRP 51 N -0.31 0.14 -0.32 4.33 7.01 -1.07 0.16 115.95 125.89 3kw1 h TRP 51 Ca -0.00 0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.08 3kw1 h TRP 51 Cb 0.30 0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.37 3kw1 h TRP 51 CO 0.02 -0.12 0.10 0.00 -2.79 0.00 0.00 178.44 175.65 3kw1 h ALA 52 N 1.59 0.36 -0.40 2.65 0.00 -1.26 -1.23 119.26 120.97 3kw1 h ALA 52 Ca 0.37 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 3kw1 h ALA 52 Cb 0.62 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3kw1 h ALA 52 CO -0.52 -0.30 0.00 0.00 0.00 0.00 0.00 179.25 178.44 3kw1 h VAL 54 N 0.54 0.85 -0.52 0.00 2.07 -0.59 -1.38 116.25 117.21 3kw1 h VAL 54 Ca 0.11 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3kw1 h VAL 54 Cb 0.47 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3kw1 h VAL 54 CO 0.02 0.10 0.23 0.03 0.02 0.00 0.00 177.57 177.97 3kw1 h ARG 55 N 0.57 0.77 -0.78 1.57 3.08 -1.02 -2.79 114.38 115.78 3kw1 h ARG 55 Ca 0.34 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 3kw1 h ARG 55 Cb 0.35 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 3kw1 h ARG 55 CO -0.27 0.66 0.35 0.00 -1.07 0.00 0.00 179.97 179.64 3kw1 h ALA 56 N 1.07 1.14 0.00 0.04 0.00 -1.02 -3.08 119.26 117.42 3kw1 h ALA 56 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kw1 h ALA 56 Cb 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3kw1 h ALA 56 CO -0.02 0.63 -0.08 0.00 0.00 0.00 0.00 179.25 179.79 3kw1 n MET 57 N -4.30 0.09 -0.26 0.00 0.00 -0.54 -4.19 117.12 107.91 3kw1 n MET 57 Ca 0.07 0.07 -0.05 0.00 0.00 0.00 0.00 57.70 57.79 3kw1 n MET 57 Cb 0.16 -1.60 0.06 0.00 0.00 0.00 0.00 33.22 31.84 3kw1 n MET 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kw1 h ALA 58 N 2.84 0.93 0.00 3.17 0.00 -1.39 -1.99 119.26 122.81 3kw1 h ALA 58 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kw1 h ALA 58 Cb 0.58 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kw1 h ALA 58 CO 0.00 0.35 0.03 -2.30 0.00 0.00 0.00 179.25 177.33 3kw1 n PRO 59 N -4.57 0.04 -0.00 0.00 -0.02 -1.26 -2.95 135.00 126.24 3kw1 n PRO 59 Ca 0.07 0.52 0.05 0.00 -2.02 0.00 0.00 63.50 62.12 3kw1 n PRO 59 Cb 0.02 -1.66 -0.06 0.00 -0.02 0.00 0.00 33.50 31.77 3kw1 n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3kw1 n TYR 60 N -1.71 0.00 -2.39 6.00 4.01 -0.76 -4.98 117.16 117.33 3kw1 n TYR 60 Ca -0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.36 3kw1 n TYR 60 Cb 0.04 -0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 3kw1 n TYR 60 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kw1 s LEU 61 N -2.72 4.12 0.51 7.72 1.43 -1.15 -5.00 118.68 123.58 3kw1 s LEU 61 Ca 0.02 2.20 -0.04 0.00 -1.03 0.00 0.00 54.13 55.29 3kw1 s LEU 61 Cb 0.08 -4.15 -0.01 0.00 0.03 0.00 0.00 46.19 42.13 3kw1 s LEU 61 CO 0.43 -0.66 0.80 -1.61 0.23 0.00 0.00 176.35 175.53 3kw1 s GLU 62 N -2.48 3.24 0.08 1.70 0.41 -1.26 -5.00 118.70 115.39 3kw1 s GLU 62 Ca 0.59 -0.01 -0.35 0.00 -0.41 0.00 0.00 54.97 54.79 3kw1 s GLU 62 Cb -0.26 -2.38 -0.15 0.00 -1.78 0.00 0.00 34.13 29.56 3kw1 s GLU 62 CO 0.33 -0.37 1.55 -2.30 -0.49 0.00 0.00 175.26 173.97 3kw1 n PRO 63 N -2.32 1.79 -0.07 0.39 -0.02 -1.26 -2.18 135.00 131.33 3kw1 n PRO 63 Ca 0.02 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3kw1 n PRO 63 Cb 0.56 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3kw1 n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kw1 n GLY 64 N 3.30 0.78 3.89 -1.23 0.00 -1.26 -5.06 105.19 105.61 3kw1 n GLY 64 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3kw1 n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kw1 s GLU 65 N -0.72 3.40 0.00 1.61 2.02 -0.93 -1.08 118.70 123.00 3kw1 s GLU 65 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.65 3kw1 s GLU 65 Cb 0.00 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.16 3kw1 s GLU 65 CO 0.00 0.67 0.00 0.41 0.02 0.00 0.00 175.26 176.36 3kw1 n GLY 66 N 0.95 4.81 3.23 -1.39 0.00 -0.26 -4.81 105.19 107.73 3kw1 n GLY 66 Ca -0.11 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 3kw1 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kw1 s SER 67 N -0.05 -0.12 0.14 1.61 1.04 -1.26 -1.76 113.70 113.30 3kw1 s SER 67 Ca 0.00 -0.14 0.08 0.00 0.48 0.00 0.00 55.95 56.38 3kw1 s SER 67 Cb 0.00 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 3kw1 s SER 67 CO 0.00 -0.55 -0.19 -0.76 0.98 0.00 0.00 173.24 172.71 3kw1 s LEU 68 N -1.84 2.37 0.17 2.42 1.43 0.22 -4.91 118.68 118.53 3kw1 s LEU 68 Ca -0.08 -0.78 -0.30 0.00 -1.03 0.00 0.00 54.13 51.94 3kw1 s LEU 68 Cb -0.02 -0.85 -0.07 0.00 0.03 0.00 0.00 46.19 45.27 3kw1 s LEU 68 CO -0.01 0.01 0.95 -0.83 0.23 0.00 0.00 176.35 176.70 3kw1 s GLY 69 N -2.31 3.05 -0.00 -3.19 0.00 -1.26 -0.63 107.32 102.98 3kw1 s GLY 69 Ca 0.11 0.60 0.03 0.00 0.00 0.00 0.00 44.72 45.46 3kw1 s GLY 69 CO 0.05 1.35 0.10 -1.30 0.00 0.00 0.00 173.10 173.30 3kw1 n THR 70 N 2.24 0.00 -3.63 0.90 -2.24 0.30 -4.90 114.28 106.96 3kw1 n THR 70 Ca 0.01 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.38 3kw1 n THR 70 Cb 0.48 0.78 -0.07 0.00 -2.10 0.00 0.00 70.33 69.43 3kw1 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kw1 s ALA 71 N -1.63 -1.89 -0.03 6.98 0.00 -1.16 -4.96 121.76 119.08 3kw1 s ALA 71 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 51.96 53.87 3kw1 s ALA 71 Cb 0.02 -1.26 0.03 0.00 0.00 0.00 0.00 23.12 21.90 3kw1 s ALA 71 CO 0.12 -0.28 0.02 -1.50 0.00 0.00 0.00 175.76 174.11 3kw1 s ILE 72 N 0.19 0.05 -0.27 0.00 1.10 -1.26 -1.50 121.20 119.51 3kw1 s ILE 72 Ca 0.01 0.16 -0.03 0.00 -0.51 0.00 0.00 60.65 60.28 3kw1 s ILE 72 Cb -0.05 -0.17 0.09 0.00 0.15 0.00 0.00 42.46 42.48 3kw1 s ILE 72 CO -0.03 0.12 0.11 0.00 -2.11 0.00 0.00 174.94 173.04 3kw1 s VAL 74 N 2.01 0.15 0.41 0.00 -7.23 -1.26 -0.29 120.40 114.18 3kw1 s VAL 74 Ca 0.08 -1.24 0.02 0.00 -1.81 0.00 0.00 61.98 59.02 3kw1 s VAL 74 Cb -0.16 -1.27 -0.01 0.00 0.56 0.00 0.00 36.38 35.50 3kw1 s VAL 74 CO -0.30 -0.69 0.60 0.42 -0.31 0.00 0.00 175.10 174.83 3kw1 s THR 75 N -3.58 4.16 -0.22 5.32 -4.23 -0.88 -4.93 115.64 111.29 3kw1 s THR 75 Ca 0.03 -0.63 -0.04 0.00 -1.18 0.00 0.00 61.69 59.87 3kw1 s THR 75 Cb 0.04 -3.51 0.07 0.00 1.34 0.00 0.00 72.50 70.44 3kw1 s THR 75 CO -0.09 -0.31 0.10 -2.28 -0.54 0.00 0.00 174.62 171.49 3kw1 s HIS 76 N -2.42 0.39 -0.15 3.99 2.46 -1.26 -3.58 115.29 114.72 3kw1 s HIS 76 Ca 0.46 -0.61 0.03 0.00 0.47 0.00 0.00 55.06 55.41 3kw1 s HIS 76 Cb -0.10 -0.84 -0.03 0.00 -0.13 0.00 0.00 32.58 31.48 3kw1 s HIS 76 CO 0.36 -0.63 0.14 0.25 -2.47 0.00 0.00 174.74 172.39 3kw1 n THR 77 N 5.22 0.00 -3.88 0.89 -2.24 0.17 -4.98 114.28 109.46 3kw1 n THR 77 Ca -0.07 -0.43 -0.10 0.00 -2.27 0.00 0.00 64.05 61.18 3kw1 n THR 77 Cb 0.46 1.00 -0.09 0.00 -2.10 0.00 0.00 70.33 69.60 3kw1 n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kw1 s ALA 78 N -1.27 -0.24 -0.12 6.98 0.00 -1.22 -4.98 121.76 120.91 3kw1 s ALA 78 Ca 0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 3kw1 s ALA 78 Cb 0.02 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 3kw1 s ALA 78 CO 0.12 -0.31 0.18 0.00 0.00 0.00 0.00 175.76 175.76 3kw1 s ALA 79 N -2.29 3.81 -0.27 0.00 0.00 -1.26 -4.77 121.76 116.97 3kw1 s ALA 79 Ca -0.07 -0.59 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 3kw1 s ALA 79 Cb -0.03 -2.08 0.05 0.00 0.00 0.00 0.00 23.12 21.06 3kw1 s ALA 79 CO -0.03 0.48 -0.05 0.99 0.00 0.00 0.00 175.76 177.16 3kw1 s THR 80 N -0.68 2.71 0.76 0.00 2.01 -1.26 -5.02 115.64 114.17 3kw1 s THR 80 Ca 0.15 -1.35 -0.11 0.00 0.31 0.00 0.00 61.69 60.68 3kw1 s THR 80 Cb -0.12 -2.51 0.05 0.00 0.01 0.00 0.00 72.50 69.92 3kw1 s THR 80 CO 0.04 0.01 1.09 -2.16 -0.69 0.00 0.00 174.62 172.90 3kw1 s PRO 81 N 1.23 2.40 0.50 4.92 0.04 -1.26 -0.83 135.00 142.00 3kw1 s PRO 81 Ca -0.05 0.71 -0.23 0.00 0.04 0.00 0.00 61.00 61.47 3kw1 s PRO 81 Cb -0.19 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 3kw1 s PRO 81 CO -0.03 -1.41 1.32 -2.30 0.04 0.00 0.00 177.00 174.61 3kw1 n PRO 82 N -3.30 1.80 0.00 0.56 -0.02 -1.26 -3.74 135.00 129.04 3kw1 n PRO 82 Ca 0.07 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3kw1 n PRO 82 Cb 0.56 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3kw1 n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kw1 n GLY 83 N 0.78 2.91 3.82 -1.23 0.00 0.19 -5.01 105.19 106.64 3kw1 n GLY 83 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3kw1 n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kw1 s LEU 84 N 0.00 3.89 -0.29 0.99 1.43 -1.24 -4.76 118.68 118.70 3kw1 s LEU 84 Ca 0.00 1.69 -0.26 0.00 -1.03 0.00 0.00 54.13 54.53 3kw1 s LEU 84 Cb 0.00 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.69 3kw1 s LEU 84 CO 0.00 -0.42 0.91 -0.89 0.23 0.00 0.00 176.35 176.18 3kw1 s THR 85 N -2.23 4.70 -0.15 5.49 2.01 -1.26 -0.82 115.64 123.38 3kw1 s THR 85 Ca 0.62 1.49 -0.20 0.00 0.31 0.00 0.00 61.69 63.91 3kw1 s THR 85 Cb -0.10 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 3kw1 s THR 85 CO 0.16 -0.29 0.56 -0.69 -0.69 0.00 0.00 174.62 173.67 3kw1 s VAL 86 N 3.17 5.10 -0.28 3.82 1.01 0.11 -3.94 120.40 129.39 3kw1 s VAL 86 Ca 0.38 1.09 -0.08 0.00 0.00 0.00 0.00 61.98 63.38 3kw1 s VAL 86 Cb -0.14 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 3kw1 s VAL 86 CO 0.12 0.23 0.09 -0.89 0.00 0.00 0.00 175.10 174.64 3kw1 s THR 87 N 1.20 4.22 -0.00 3.92 2.01 0.50 -1.29 115.64 126.19 3kw1 s THR 87 Ca 0.28 -0.42 -0.17 0.00 0.31 0.00 0.00 61.69 61.70 3kw1 s THR 87 Cb -0.16 -3.08 -0.06 0.00 0.01 0.00 0.00 72.50 69.21 3kw1 s THR 87 CO 0.11 0.19 0.47 -0.69 -0.69 0.00 0.00 174.62 174.01 3kw1 s VAL 88 N 1.57 4.98 -0.12 3.82 1.01 0.03 -1.40 120.40 130.29 3kw1 s VAL 88 Ca 0.05 0.97 0.02 0.00 0.00 0.00 0.00 61.98 63.01 3kw1 s VAL 88 Cb -0.16 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 3kw1 s VAL 88 CO 0.04 0.52 -0.19 -0.89 0.00 0.00 0.00 175.10 174.58 3kw1 s THR 89 N -0.75 2.50 -0.18 3.92 2.01 -0.18 -0.31 115.64 122.66 3kw1 s THR 89 Ca 0.26 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.42 3kw1 s THR 89 Cb -0.17 -2.02 0.03 0.00 0.01 0.00 0.00 72.50 70.35 3kw1 s THR 89 CO 0.14 0.54 -0.16 0.00 -0.69 0.00 0.00 174.62 174.45 3kw1 s ALA 90 N 0.48 2.18 -0.20 7.40 0.00 -0.05 -1.38 121.76 130.19 3kw1 s ALA 90 Ca -0.13 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 50.62 3kw1 s ALA 90 Cb -0.17 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.75 3kw1 s ALA 90 CO 0.05 -0.53 -0.12 -2.00 0.00 0.00 0.00 175.76 173.17 3kw1 s GLU 91 N 1.34 3.18 0.10 0.00 2.12 0.31 -0.91 118.70 124.84 3kw1 s GLU 91 Ca 0.02 -0.73 -0.31 0.00 0.36 0.00 0.00 54.97 54.32 3kw1 s GLU 91 Cb -0.14 -2.81 -0.08 0.00 0.26 0.00 0.00 34.13 31.36 3kw1 s GLU 91 CO -0.11 -0.21 1.54 -1.17 -0.54 0.00 0.00 175.26 174.78 3kw1 s LEU 92 N 1.39 4.36 -0.11 2.70 2.96 -0.11 -0.79 118.68 129.07 3kw1 s LEU 92 Ca 0.05 2.45 0.07 0.00 -0.22 0.00 0.00 54.13 56.48 3kw1 s LEU 92 Cb -0.14 -3.58 -0.12 0.00 0.50 0.00 0.00 46.19 42.86 3kw1 s LEU 92 CO -0.08 -0.80 -0.02 0.54 -1.32 0.00 0.00 176.35 174.68 3kw1 n ARG 93 N 4.73 1.64 -3.53 1.98 5.12 0.70 0.23 116.66 127.53 3kw1 n ARG 93 Ca 0.14 0.02 -0.15 0.00 -1.93 0.00 0.00 57.85 55.93 3kw1 n ARG 93 Cb 0.41 -1.27 -0.05 0.00 -1.16 0.00 0.00 32.46 30.39 3kw1 n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kw1 s SER 94 N -4.62 -0.53 -0.10 0.55 1.04 -0.93 -4.84 113.70 104.28 3kw1 s SER 94 Ca -0.09 0.30 0.13 0.00 0.48 0.00 0.00 55.95 56.77 3kw1 s SER 94 Cb 0.04 0.52 0.25 0.00 0.10 0.00 0.00 66.02 66.93 3kw1 s SER 94 CO 0.39 -0.73 1.12 0.52 0.98 0.00 0.00 173.24 175.52 3kw1 n VAL 95 N 0.42 1.25 -1.50 5.02 0.31 -1.26 -1.38 118.33 121.19 3kw1 n VAL 95 Ca -0.18 -1.70 -0.22 0.00 -0.01 0.00 0.00 64.34 62.22 3kw1 n VAL 95 Cb 0.60 0.08 -0.22 0.00 -0.91 0.00 0.00 33.84 33.40 3kw1 n VAL 95 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3kw1 n GLU 96 N -0.81 0.04 0.00 5.55 0.28 -1.11 -4.45 120.64 120.14 3kw1 n GLU 96 Ca 0.11 -0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 3kw1 n GLU 96 Cb 0.71 -1.20 0.00 0.00 1.43 0.00 0.00 31.44 32.38 3kw1 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kw1 n GLY 97 N 5.63 2.21 0.57 -1.84 0.00 -1.26 -2.43 105.19 108.08 3kw1 n GLY 97 Ca 0.66 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.81 3kw1 n GLY 97 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kw1 n ARG 98 N 4.99 1.77 -4.32 1.61 0.00 -1.26 -4.88 116.66 114.56 3kw1 n ARG 98 Ca 0.00 -1.14 -0.34 0.00 -0.00 0.00 0.00 57.85 56.37 3kw1 n ARG 98 Cb 0.00 -1.44 -0.14 0.00 0.00 0.00 0.00 32.46 30.87 3kw1 n ARG 98 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 3kw1 s ARG 99 N -1.88 3.33 -0.03 -0.14 1.04 -1.02 -1.61 118.95 118.65 3kw1 s ARG 99 Ca 0.35 -0.68 0.07 0.00 -1.04 0.00 0.00 55.73 54.43 3kw1 s ARG 99 Cb 0.19 -2.78 -0.02 0.00 -2.04 0.00 0.00 34.95 30.30 3kw1 s ARG 99 CO 0.30 -0.01 -0.24 -0.51 -0.04 0.00 0.00 175.30 174.79 3kw1 s LEU 100 N 0.95 2.05 -0.09 -1.89 1.02 -0.66 -2.75 118.68 117.31 3kw1 s LEU 100 Ca -0.02 -0.45 0.01 0.00 0.02 0.00 0.00 54.13 53.69 3kw1 s LEU 100 Cb -0.15 -1.27 0.02 0.00 0.02 0.00 0.00 46.19 44.81 3kw1 s LEU 100 CO -0.01 0.28 -0.10 -0.55 0.02 0.00 0.00 176.35 176.00 3kw1 s SER 101 N -0.47 1.97 -0.08 2.29 0.15 -0.48 -1.04 113.70 116.04 3kw1 s SER 101 Ca 0.06 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.42 3kw1 s SER 101 Cb -0.10 -0.83 -0.02 0.00 -1.71 0.00 0.00 66.02 63.35 3kw1 s SER 101 CO 0.00 -0.04 -0.11 0.26 1.20 0.00 0.00 173.24 174.55 3kw1 s TRP 102 N 1.18 2.82 -0.27 3.44 0.52 0.03 -0.22 118.94 126.44 3kw1 s TRP 102 Ca -0.05 -0.24 -0.28 0.00 0.02 0.00 0.00 56.10 55.56 3kw1 s TRP 102 Cb -0.14 -1.73 0.01 0.00 -1.15 0.00 0.00 33.47 30.46 3kw1 s TRP 102 CO -0.02 0.11 1.00 0.50 0.02 0.00 0.00 176.95 178.56 3kw1 s ARG 103 N -0.40 4.16 -0.01 4.98 6.06 0.03 -0.59 118.95 133.17 3kw1 s ARG 103 Ca 0.05 1.14 0.03 0.00 -2.50 0.00 0.00 55.73 54.45 3kw1 s ARG 103 Cb -0.12 -3.68 -0.03 0.00 0.06 0.00 0.00 34.95 31.18 3kw1 s ARG 103 CO 0.02 -0.70 -0.10 0.14 -2.50 0.00 0.00 175.30 172.16 3kw1 s VAL 104 N 3.27 3.44 0.05 7.11 -7.23 -0.32 -0.53 120.40 126.19 3kw1 s VAL 104 Ca 0.42 -0.77 -0.09 0.00 -1.81 0.00 0.00 61.98 59.73 3kw1 s VAL 104 Cb -0.14 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.35 3kw1 s VAL 104 CO 0.10 0.46 0.19 -0.94 -0.31 0.00 0.00 175.10 174.59 3kw1 s SER 105 N -1.20 0.06 0.01 4.85 1.04 -0.48 -1.04 113.70 116.95 3kw1 s SER 105 Ca 0.15 -0.46 0.02 0.00 0.48 0.00 0.00 55.95 56.14 3kw1 s SER 105 Cb -0.11 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.30 3kw1 s SER 105 CO 0.05 -0.61 -0.07 0.00 0.98 0.00 0.00 173.24 173.59 3kw1 s ALA 106 N -2.95 0.55 0.03 5.32 0.00 -0.18 -1.01 121.76 123.52 3kw1 s ALA 106 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.52 3kw1 s ALA 106 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 3kw1 s ALA 106 CO -0.06 0.09 -0.04 -3.38 0.00 0.00 0.00 175.76 172.37 3kw1 s HIS 107 N -0.52 0.38 -0.25 0.00 -3.43 -0.49 -0.91 115.29 110.08 3kw1 s HIS 107 Ca -0.01 -0.57 0.13 0.00 -0.80 0.00 0.00 55.06 53.80 3kw1 s HIS 107 Cb -0.05 -0.26 0.59 0.00 -1.43 0.00 0.00 32.58 31.44 3kw1 s HIS 107 CO 0.00 -0.18 1.55 -0.40 -2.00 0.00 0.00 174.74 173.71 3kw1 n ASP 108 N 1.42 3.87 0.00 7.38 5.68 -0.55 -0.37 116.55 133.98 3kw1 n ASP 108 Ca -0.23 -3.26 0.00 0.00 -0.50 0.00 0.00 54.79 50.81 3kw1 n ASP 108 Cb 0.55 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 3kw1 n ASP 108 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kw1 n GLY 109 N -0.54 2.92 0.23 6.12 0.00 -1.25 -4.34 105.19 108.33 3kw1 n GLY 109 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 3kw1 n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kw1 n VAL 110 N -1.30 1.32 -4.04 1.61 0.31 -1.26 -5.07 118.33 109.90 3kw1 n VAL 110 Ca 0.00 -0.37 -0.13 0.00 -0.01 0.00 0.00 64.34 63.83 3kw1 n VAL 110 Cb 0.00 -1.72 -0.13 0.00 -0.91 0.00 0.00 33.84 31.09 3kw1 n VAL 110 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3kw1 s ASP 111 N -6.97 0.51 0.22 4.52 1.01 -1.26 -5.12 116.67 109.59 3kw1 s ASP 111 Ca -0.33 -0.32 -0.32 0.00 0.71 0.00 0.00 52.55 52.29 3kw1 s ASP 111 Cb 0.12 0.02 -0.13 0.00 1.01 0.00 0.00 42.92 43.93 3kw1 s ASP 111 CO 0.44 -0.12 1.53 -0.62 0.21 0.00 0.00 175.17 176.61 3kw1 n GLU 112 N 2.16 2.27 -0.00 8.23 -0.58 -1.26 -1.48 120.64 129.97 3kw1 n GLU 112 Ca -0.19 0.81 0.05 0.00 -0.42 0.00 0.00 57.16 57.42 3kw1 n GLU 112 Cb 0.57 -2.54 -0.08 0.00 -0.57 0.00 0.00 31.44 28.81 3kw1 n GLU 112 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 3kw1 n ILE 113 N 2.61 0.00 0.00 -3.67 -5.35 -0.08 -4.11 119.36 108.76 3kw1 n ILE 113 Ca 0.13 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 3kw1 n ILE 113 Cb 0.32 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.57 3kw1 n ILE 113 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kw1 n GLY 114 N 1.83 1.15 3.59 3.28 0.00 -1.17 0.44 105.19 114.32 3kw1 n GLY 114 Ca -0.01 -1.00 -0.05 0.00 0.00 0.00 0.00 46.02 44.95 3kw1 n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kw1 s SER 115 N 0.00 -0.18 0.00 1.61 1.04 -1.24 -1.01 113.70 113.92 3kw1 s SER 115 Ca 0.00 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.53 3kw1 s SER 115 Cb 0.00 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.29 3kw1 s SER 115 CO 0.00 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.59 3kw1 n GLY 116 N 0.22 -0.51 3.14 7.32 0.00 -0.21 -2.07 105.19 113.08 3kw1 n GLY 116 Ca -0.03 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 3kw1 n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kw1 s THR 117 N -2.75 0.45 -0.06 2.61 -4.23 0.60 -1.17 115.64 111.09 3kw1 s THR 117 Ca 0.00 -1.88 -0.02 0.00 -1.18 0.00 0.00 61.69 58.60 3kw1 s THR 117 Cb 0.00 -1.67 0.04 0.00 1.34 0.00 0.00 72.50 72.21 3kw1 s THR 117 CO 0.00 -0.87 0.12 -2.28 -0.54 0.00 0.00 174.62 171.05 3kw1 s HIS 118 N -3.78 -0.12 0.03 3.99 5.04 0.24 -1.46 115.29 119.23 3kw1 s HIS 118 Ca 0.11 0.43 0.04 0.00 -1.54 0.00 0.00 55.06 54.11 3kw1 s HIS 118 Cb 0.07 -0.17 -0.04 0.00 0.04 0.00 0.00 32.58 32.48 3kw1 s HIS 118 CO -0.06 -0.17 -0.06 -1.21 -2.34 0.00 0.00 174.74 170.90 3kw1 s GLU 119 N 1.42 2.50 0.08 2.88 2.02 -0.56 -0.79 118.70 126.25 3kw1 s GLU 119 Ca -0.06 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.18 3kw1 s GLU 119 Cb -0.12 -2.49 -0.03 0.00 0.10 0.00 0.00 34.13 31.59 3kw1 s GLU 119 CO -0.05 0.58 -0.10 1.03 0.02 0.00 0.00 175.26 176.74 3kw1 s ARG 120 N -1.67 0.76 -0.09 1.61 0.52 -0.21 -0.54 118.95 119.33 3kw1 s ARG 120 Ca 0.19 -1.04 0.03 0.00 -0.52 0.00 0.00 55.73 54.39 3kw1 s ARG 120 Cb -0.11 -0.48 0.01 0.00 0.52 0.00 0.00 34.95 34.88 3kw1 s ARG 120 CO 0.10 0.08 -0.19 0.00 0.02 0.00 0.00 175.30 175.32 3kw1 s ALA 121 N -2.11 1.76 0.10 2.13 0.00 0.20 -1.65 121.76 122.19 3kw1 s ALA 121 Ca 0.01 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 3kw1 s ALA 121 Cb -0.05 -0.71 -0.06 0.00 0.00 0.00 0.00 23.12 22.30 3kw1 s ALA 121 CO -0.00 0.19 1.17 0.08 0.00 0.00 0.00 175.76 177.20 3kw1 s VAL 122 N 0.52 3.96 0.14 0.00 1.01 -0.64 -0.61 120.40 124.77 3kw1 s VAL 122 Ca -0.16 1.49 0.07 0.00 0.00 0.00 0.00 61.98 63.37 3kw1 s VAL 122 Cb -0.17 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3kw1 s VAL 122 CO 0.06 0.16 -0.16 0.27 0.00 0.00 0.00 175.10 175.44 3kw1 s ILE 123 N 0.62 1.50 -0.22 2.22 -4.36 -0.72 -4.95 121.20 115.29 3kw1 s ILE 123 Ca 0.56 -1.78 -0.25 0.00 -0.26 0.00 0.00 60.65 58.91 3kw1 s ILE 123 Cb -0.30 -1.64 -0.01 0.00 1.25 0.00 0.00 42.46 41.77 3kw1 s ILE 123 CO 0.31 -0.37 0.86 -2.28 0.24 0.00 0.00 174.94 173.70 3kw1 s HIS 124 N -2.09 3.35 0.14 1.37 2.46 -1.26 -1.10 115.29 118.15 3kw1 s HIS 124 Ca 0.11 1.22 -0.12 0.00 0.47 0.00 0.00 55.06 56.74 3kw1 s HIS 124 Cb -0.05 -3.07 -0.02 0.00 -0.13 0.00 0.00 32.58 29.31 3kw1 s HIS 124 CO 0.04 -0.37 1.54 -0.07 -2.47 0.00 0.00 174.74 173.41 3kw1 h LEU 125 N 8.99 0.87 -0.80 8.88 3.38 -1.44 -0.85 115.31 134.33 3kw1 h LEU 125 Ca -0.24 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.26 3kw1 h LEU 125 Cb 1.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3kw1 h LEU 125 CO 0.88 1.05 -0.06 -0.33 0.09 0.00 0.00 178.44 180.07 3kw1 h GLU 126 N 0.68 0.84 -0.79 1.13 3.07 -1.94 -0.25 114.58 117.33 3kw1 h GLU 126 Ca 0.10 -0.26 -0.05 0.00 -0.50 0.00 0.00 59.36 58.65 3kw1 h GLU 126 Cb 0.69 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.48 3kw1 h GLU 126 CO 0.05 0.88 0.30 0.87 -1.40 0.00 0.00 179.01 179.71 3kw1 h LYS 127 N 0.77 1.19 -0.22 2.33 1.57 -1.80 -2.70 116.57 117.70 3kw1 h LYS 127 Ca 0.14 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 3kw1 h LYS 127 Cb 0.54 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3kw1 h LYS 127 CO 0.03 0.97 -0.07 0.35 -0.57 0.00 0.00 179.45 180.16 3kw1 h PHE 128 N 1.15 0.51 -0.70 -1.35 3.57 -0.75 -2.39 116.94 116.98 3kw1 h PHE 128 Ca 0.26 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.67 3kw1 h PHE 128 Cb 0.24 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 3kw1 h PHE 128 CO 0.02 0.70 0.46 -0.91 -2.23 0.00 0.00 178.31 176.35 3kw1 h ASN 129 N 0.17 0.74 -0.43 0.41 2.35 -1.01 -0.95 115.58 116.86 3kw1 h ASN 129 Ca 0.05 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3kw1 h ASN 129 Cb 0.55 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 3kw1 h ASN 129 CO 0.03 0.51 0.19 0.00 -1.65 0.00 0.00 177.43 176.51 3kw1 h ALA 130 N 1.59 0.56 -0.65 -0.83 0.00 -1.35 -1.89 119.26 116.69 3kw1 h ALA 130 Ca 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3kw1 h ALA 130 Cb 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3kw1 h ALA 130 CO -0.08 0.14 0.33 -0.22 0.00 0.00 0.00 179.25 179.42 3kw1 h LYS 131 N 0.55 0.90 -0.18 0.00 3.64 -0.68 -2.83 116.57 117.98 3kw1 h LYS 131 Ca 0.15 -0.11 -0.18 0.00 -1.27 0.00 0.00 60.65 59.24 3kw1 h LYS 131 Cb 0.15 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3kw1 h LYS 131 CO -0.02 0.68 -0.60 -0.39 -2.27 0.00 0.00 179.45 176.86 3kw1 h VAL 132 N 0.91 1.31 -0.22 2.00 -1.51 -1.16 -2.66 116.25 114.91 3kw1 h VAL 132 Ca 0.23 -1.83 0.06 0.00 -1.23 0.00 0.00 66.70 63.93 3kw1 h VAL 132 Cb 0.06 1.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.15 3kw1 h VAL 132 CO -0.03 0.57 0.31 0.03 -1.23 0.00 0.00 177.57 177.22 3kw1 h ARG 133 N 0.43 0.00 0.00 5.19 3.08 -1.10 -0.26 114.38 121.72 3kw1 h ARG 133 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3kw1 h ARG 133 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3kw1 h ARG 133 CO 0.13 0.00 0.00 1.96 -1.07 0.00 0.00 179.97 180.99 3kw1 h GLN 134 N 0.00 0.00 0.00 0.04 4.20 -1.34 -2.91 115.11 115.10 3kw1 h GLN 134 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3kw1 h GLN 134 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 3kw1 h GLN 134 CO -0.00 0.00 0.00 0.36 -0.67 0.00 0.00 178.83 178.52 3kw1 n LYS 135 N -2.85 1.04 -1.84 1.46 2.85 -0.12 -5.02 118.16 113.68 3kw1 n LYS 135 Ca -0.01 -1.01 -0.42 0.00 -1.05 0.00 0.00 58.31 55.83 3kw1 n LYS 135 Cb 0.17 -1.00 -0.02 0.00 -0.65 0.00 0.00 35.03 33.53 3kw1 n LYS 135 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3kw1 s THR 136 N -0.51 2.27 -2.00 0.58 2.01 -1.10 -5.15 115.64 111.74 3kw1 s THR 136 Ca 0.00 0.21 0.16 0.00 0.31 0.00 0.00 61.69 62.37 3kw1 s THR 136 Cb 0.00 -3.14 0.46 0.00 0.01 0.00 0.00 72.50 69.83 3kw1 s THR 136 CO 0.00 0.03 1.37 -2.65 -0.69 0.00 0.00 174.62 172.68