#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpk h ALA 13 N 0.00 -0.76 0.18 -1.58 0.00 -2.06 -2.11 119.26 112.93 1kpk h ALA 13 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1kpk h ALA 13 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1kpk h ALA 13 CO 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 179.25 178.28 1kpk h ALA 14 N -0.46 -0.24 0.00 0.00 0.00 -2.08 -3.34 119.26 113.14 1kpk h ALA 14 Ca -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1kpk h ALA 14 Cb 0.62 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1kpk h ALA 14 CO 0.13 -0.27 0.00 0.54 0.00 0.00 0.00 179.25 179.65 1kpk n ARG 15 N -4.93 0.18 -0.12 0.00 1.74 -1.25 -2.36 116.66 109.92 1kpk n ARG 15 Ca -0.06 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.86 1kpk n ARG 15 Cb 0.21 -1.43 -0.12 0.00 -1.02 0.00 0.00 32.46 30.11 1kpk n ARG 15 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1kpk n LEU 16 N -0.93 2.59 -0.24 0.55 7.94 -0.79 -4.31 117.00 121.81 1kpk n LEU 16 Ca 0.04 -0.11 0.04 0.00 -1.11 0.00 0.00 56.01 54.86 1kpk n LEU 16 Cb 0.02 -0.67 0.15 0.00 0.53 0.00 0.00 43.42 43.45 1kpk n LEU 16 CO 0.03 0.85 0.87 0.03 -1.11 0.00 0.00 177.39 178.06 1kpk h ARG 17 N 0.00 0.17 -0.37 1.96 3.08 -1.58 -0.96 114.38 116.68 1kpk h ARG 17 Ca -0.53 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 59.59 1kpk h ARG 17 Cb 1.87 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 31.80 1kpk h ARG 17 CO -0.07 0.11 -0.23 0.00 -1.07 0.00 0.00 179.97 178.71 1kpk h ARG 18 N 0.18 -0.17 -0.02 0.04 3.08 -1.77 0.16 114.38 115.88 1kpk h ARG 18 Ca 0.39 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.45 1kpk h ARG 18 Cb 0.66 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 1kpk h ARG 18 CO -0.56 -0.11 0.17 0.00 -1.07 0.00 0.00 179.97 178.41 1kpk h ARG 19 N -0.18 0.00 0.00 0.04 3.08 -1.37 -1.05 114.38 114.90 1kpk h ARG 19 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1kpk h ARG 19 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1kpk h ARG 19 CO -0.48 0.00 -0.07 1.96 -1.07 0.00 0.00 179.97 180.31 1kpk h GLN 20 N 0.00 0.00 -0.78 0.04 4.20 -0.49 -3.27 115.11 114.81 1kpk h GLN 20 Ca 0.01 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.79 1kpk h GLN 20 Cb 0.36 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.04 1kpk h GLN 20 CO -0.00 0.00 -0.50 -0.07 -0.67 0.00 0.00 178.83 177.59 1kpk h LEU 21 N -0.35 -1.82 -1.42 1.46 3.38 -0.82 0.79 115.31 116.52 1kpk h LEU 21 Ca 0.00 0.27 0.26 0.00 0.09 0.00 0.00 57.88 58.50 1kpk h LEU 21 Cb 0.07 0.80 -0.09 0.00 0.09 0.00 0.00 40.66 41.53 1kpk h LEU 21 CO 0.00 -0.22 0.67 0.40 0.09 0.00 0.00 178.44 179.38 1kpk h ILE 22 N -0.05 0.54 0.00 1.22 2.04 -1.42 3.63 117.51 123.47 1kpk h ILE 22 Ca 0.13 -0.13 -0.18 0.00 1.00 0.00 0.00 64.86 65.68 1kpk h ILE 22 Cb 0.37 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1kpk h ILE 22 CO -0.76 0.07 -0.83 0.03 0.00 0.00 0.00 178.15 176.66 1kpk h ARG 23 N 0.37 0.08 0.00 2.37 3.08 0.24 -3.15 114.38 117.37 1kpk h ARG 23 Ca 0.58 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.54 1kpk h ARG 23 Cb 1.51 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.58 1kpk h ARG 23 CO -0.26 0.86 -0.00 1.96 -1.07 0.00 0.00 179.97 181.45 1kpk h GLN 24 N 0.04 0.00 -0.08 0.04 4.20 0.67 -3.25 115.11 116.72 1kpk h GLN 24 Ca -0.02 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.70 1kpk h GLN 24 Cb 1.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.21 1kpk h GLN 24 CO 0.11 0.36 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.47 1kpk h LEU 25 N -1.00 -0.31 0.00 1.46 3.38 0.60 0.60 115.31 120.03 1kpk h LEU 25 Ca -0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1kpk h LEU 25 Cb 0.36 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1kpk h LEU 25 CO -0.00 -0.06 0.00 0.18 0.09 0.00 0.00 178.44 178.65 1kpk n LEU 26 N -3.18 0.00 -0.03 1.67 4.77 -1.19 0.18 117.00 119.22 1kpk n LEU 26 Ca -0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 1kpk n LEU 26 Cb 0.05 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1kpk n LEU 26 CO -0.00 0.00 0.08 1.21 -1.33 0.00 0.00 177.39 177.35 1kpk n GLU 27 N -0.91 4.19 -1.47 3.23 4.07 0.17 -5.08 120.64 124.84 1kpk n GLU 27 Ca 0.00 -0.20 -0.39 0.00 -0.06 0.00 0.00 57.16 56.51 1kpk n GLU 27 Cb 0.00 -0.74 0.03 0.00 -0.06 0.00 0.00 31.44 30.66 1kpk n GLU 27 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1kpk n ARG 28 N -0.70 0.56 -1.80 5.31 0.63 0.13 -4.36 116.66 116.44 1kpk n ARG 28 Ca 0.01 0.22 -0.01 0.00 -0.92 0.00 0.00 57.85 57.15 1kpk n ARG 28 Cb 0.05 -1.67 0.00 0.00 0.45 0.00 0.00 32.46 31.29 1kpk n ARG 28 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1kpk n ASP 29 N 0.70 -3.05 -4.53 6.15 4.64 -1.26 -5.04 116.55 114.16 1kpk n ASP 29 Ca 0.11 -0.04 -0.40 0.00 -1.38 0.00 0.00 54.79 53.09 1kpk n ASP 29 Cb 0.45 -1.72 -0.11 0.00 -1.04 0.00 0.00 41.12 38.70 1kpk n ASP 29 CO 0.00 0.00 0.00 -1.59 -0.82 0.00 0.00 177.20 174.79 1kpk s LYS 30 N -3.06 3.55 -0.26 -0.67 0.00 -1.26 -5.04 119.74 113.00 1kpk s LYS 30 Ca 0.02 -0.60 -0.02 0.00 0.00 0.00 0.00 55.97 55.37 1kpk s LYS 30 Cb -0.00 -3.74 0.13 0.00 0.00 0.00 0.00 37.83 34.21 1kpk s LYS 30 CO 0.14 -0.40 0.30 0.99 0.00 0.00 0.00 175.35 176.39 1kpk s THR 31 N 1.71 -0.45 -0.04 3.79 2.01 -1.26 -5.03 115.64 116.37 1kpk s THR 31 Ca 0.06 -0.29 -0.33 0.00 0.31 0.00 0.00 61.69 61.45 1kpk s THR 31 Cb -0.17 -0.87 -0.11 0.00 0.01 0.00 0.00 72.50 71.36 1kpk s THR 31 CO 0.10 -0.31 1.92 -2.65 -0.69 0.00 0.00 174.62 172.99 1kpk n PRO 32 N 5.33 2.43 0.05 4.92 -0.02 -1.26 -4.83 135.00 141.63 1kpk n PRO 32 Ca -0.03 0.89 0.15 0.00 -2.02 0.00 0.00 63.50 62.49 1kpk n PRO 32 Cb 0.48 -2.78 0.25 0.00 -0.02 0.00 0.00 33.50 31.43 1kpk n PRO 32 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1kpk h LEU 33 N 9.72 0.00 0.13 2.45 5.85 -2.00 0.41 115.31 131.86 1kpk h LEU 33 Ca -0.49 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 57.96 1kpk h LEU 33 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1kpk h LEU 33 CO 0.95 0.00 -1.24 0.00 -0.34 0.00 0.00 178.44 177.80 1kpk h ALA 34 N 0.32 0.09 -0.73 1.25 0.00 -1.99 -2.41 119.26 115.80 1kpk h ALA 34 Ca 0.25 -0.88 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 1kpk h ALA 34 Cb 2.42 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 20.19 1kpk h ALA 34 CO -0.00 0.97 0.24 0.82 0.00 0.00 0.00 179.25 181.28 1kpk h ILE 35 N 0.08 1.26 0.23 0.00 2.04 -0.54 -0.45 117.51 120.12 1kpk h ILE 35 Ca -0.13 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 1kpk h ILE 35 Cb 1.97 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1kpk h ILE 35 CO 0.20 0.35 -0.11 -0.07 0.00 0.00 0.00 178.15 178.52 1kpk h LEU 36 N 1.08 -0.26 -1.67 1.44 3.38 -1.58 0.21 115.31 117.92 1kpk h LEU 36 Ca 0.24 0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.50 1kpk h LEU 36 Cb 0.29 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1kpk h LEU 36 CO -0.01 -0.14 0.91 0.15 0.09 0.00 0.00 178.44 179.44 1kpk h PHE 37 N -0.40 0.00 0.06 1.13 3.57 -1.45 0.22 116.94 120.07 1kpk h PHE 37 Ca -0.03 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 1kpk h PHE 37 Cb 0.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1kpk h PHE 37 CO 0.11 0.00 -0.47 1.98 -2.23 0.00 0.00 178.31 177.71 1kpk h MET 38 N 0.00 0.12 -0.46 1.11 4.05 -0.84 -3.14 114.93 115.77 1kpk h MET 38 Ca 0.46 -0.20 0.03 0.00 -0.28 0.00 0.00 59.70 59.71 1kpk h MET 38 Cb 2.28 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 33.13 1kpk h MET 38 CO -0.00 1.10 0.30 0.00 0.23 0.00 0.00 176.91 178.54 1kpk h ALA 39 N -0.01 1.79 -0.03 0.39 0.00 0.19 0.59 119.26 122.19 1kpk h ALA 39 Ca -0.09 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1kpk h ALA 39 Cb 1.29 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1kpk h ALA 39 CO 0.04 0.16 0.03 0.00 0.00 0.00 0.00 179.25 179.48 1kpk h ALA 40 N 1.74 1.62 0.12 0.00 0.00 -0.74 -0.19 119.26 121.81 1kpk h ALA 40 Ca 0.18 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.78 1kpk h ALA 40 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1kpk h ALA 40 CO -0.05 -0.04 -1.64 0.28 0.00 0.00 0.00 179.25 177.80 1kpk h VAL 41 N 0.00 0.87 -0.97 0.00 2.07 0.16 -3.12 116.25 115.25 1kpk h VAL 41 Ca 0.01 -2.38 0.11 0.00 0.82 0.00 0.00 66.70 65.27 1kpk h VAL 41 Cb 0.07 2.60 -0.08 0.00 -1.52 0.00 0.00 31.29 32.37 1kpk h VAL 41 CO -0.00 0.75 0.62 0.58 0.02 0.00 0.00 177.57 179.54 1kpk h VAL 42 N -0.19 0.94 -0.19 2.57 2.07 -0.32 -1.70 116.25 119.44 1kpk h VAL 42 Ca -0.35 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 1kpk h VAL 42 Cb 1.86 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1kpk h VAL 42 CO 0.06 0.18 0.02 1.23 0.02 0.00 0.00 177.57 179.08 1kpk h GLY 43 N 0.97 0.34 1.63 2.17 0.00 -1.17 0.41 103.07 107.42 1kpk h GLY 43 Ca 0.47 -0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.60 1kpk h GLY 43 CO -0.23 0.22 0.16 -0.84 0.00 0.00 0.00 176.54 175.85 1kpk h THR 44 N 0.10 0.96 0.00 4.70 2.02 -1.28 -0.01 112.91 119.39 1kpk h THR 44 Ca 0.06 -0.05 -0.12 0.00 0.77 0.00 0.00 66.41 67.07 1kpk h THR 44 Cb 0.34 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1kpk h THR 44 CO 0.01 0.02 -0.92 0.18 0.37 0.00 0.00 175.52 175.18 1kpk n LEU 45 N -4.49 1.84 -0.29 2.58 4.32 -0.72 -2.06 117.00 118.19 1kpk n LEU 45 Ca 0.02 0.53 0.11 0.00 -0.02 0.00 0.00 56.01 56.64 1kpk n LEU 45 Cb 0.21 -0.91 0.26 0.00 -1.62 0.00 0.00 43.42 41.37 1kpk n LEU 45 CO 0.35 -0.11 0.96 0.58 -1.22 0.00 0.00 177.39 177.95 1kpk h VAL 46 N -1.00 0.40 -0.02 4.08 2.07 -0.15 0.52 116.25 122.14 1kpk h VAL 46 Ca -0.18 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1kpk h VAL 46 Cb 0.91 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1kpk h VAL 46 CO -0.11 0.05 -0.04 1.23 0.02 0.00 0.00 177.57 178.72 1kpk h GLY 47 N 0.26 0.07 2.00 2.17 0.00 -1.16 -2.53 103.07 103.89 1kpk h GLY 47 Ca 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1kpk h GLY 47 CO -0.59 0.08 0.00 -0.10 0.00 0.00 0.00 176.54 175.92 1kpk n LEU 48 N -4.77 0.10 -0.10 3.11 7.94 -0.08 -1.53 117.00 121.67 1kpk n LEU 48 Ca -0.08 0.54 -0.19 0.00 -1.11 0.00 0.00 56.01 55.17 1kpk n LEU 48 Cb 0.30 -0.55 -0.11 0.00 0.53 0.00 0.00 43.42 43.59 1kpk n LEU 48 CO 0.35 -0.55 -0.32 0.00 -1.11 0.00 0.00 177.39 175.76 1kpk h ALA 49 N 2.04 0.20 -0.63 1.96 0.00 0.15 -3.30 119.26 119.69 1kpk h ALA 49 Ca 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 54.91 53.90 1kpk h ALA 49 Cb 0.03 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1kpk h ALA 49 CO 0.00 0.54 0.41 0.00 0.00 0.00 0.00 179.25 180.20 1kpk h ALA 50 N -0.42 0.80 -0.90 0.00 0.00 -0.85 0.25 119.26 118.14 1kpk h ALA 50 Ca -0.26 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.69 1kpk h ALA 50 Cb 1.19 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 1kpk h ALA 50 CO -0.16 0.21 0.55 -0.24 0.00 0.00 0.00 179.25 179.62 1kpk h VAL 51 N 0.84 1.00 -0.01 0.00 3.04 -1.57 0.79 116.25 120.33 1kpk h VAL 51 Ca 0.23 -0.33 -0.00 0.00 -1.01 0.00 0.00 66.70 65.59 1kpk h VAL 51 Cb -0.08 -0.06 -0.00 0.00 -2.01 0.00 0.00 31.29 29.14 1kpk h VAL 51 CO -0.06 0.18 -0.01 0.00 -1.01 0.00 0.00 177.57 176.67 1kpk h ALA 52 N 1.45 0.01 0.33 3.17 0.00 -1.45 -1.40 119.26 121.37 1kpk h ALA 52 Ca 0.41 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1kpk h ALA 52 Cb 0.27 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1kpk h ALA 52 CO -0.21 -0.24 -0.48 0.35 0.00 0.00 0.00 179.25 178.67 1kpk h PHE 53 N -0.44 -1.36 -0.06 0.00 3.57 0.08 -1.73 116.94 117.00 1kpk h PHE 53 Ca 0.00 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1kpk h PHE 53 Cb 0.48 0.55 -0.05 0.00 2.79 0.00 0.00 35.95 39.72 1kpk h PHE 53 CO 0.09 -0.60 -0.49 0.22 -2.23 0.00 0.00 178.31 175.29 1kpk h ASP 54 N -0.85 -1.54 -0.59 0.41 3.58 0.53 0.09 116.42 118.05 1kpk h ASP 54 Ca -0.04 0.18 0.17 0.00 0.42 0.00 0.00 57.03 57.76 1kpk h ASP 54 Cb 0.77 0.59 -0.02 0.00 1.72 0.00 0.00 39.33 42.39 1kpk h ASP 54 CO -0.14 -0.46 0.48 0.50 -2.88 0.00 0.00 179.24 176.74 1kpk h LYS 55 N -0.58 0.00 0.02 0.28 3.11 -1.23 1.00 116.57 119.17 1kpk h LYS 55 Ca 0.02 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.71 1kpk h LYS 55 Cb 0.64 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.88 1kpk h LYS 55 CO -0.36 0.00 -0.61 0.78 -2.81 0.00 0.00 179.45 176.45 1kpk h GLY 56 N 0.00 0.43 2.00 5.01 0.00 -0.19 -2.68 103.07 107.64 1kpk h GLY 56 Ca 0.28 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1kpk h GLY 56 CO -0.00 0.69 -0.13 -2.08 0.00 0.00 0.00 176.54 175.02 1kpk h VAL 57 N -0.15 0.74 0.00 4.60 2.07 0.89 0.20 116.25 124.60 1kpk h VAL 57 Ca -0.08 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1kpk h VAL 57 Cb 1.34 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1kpk h VAL 57 CO 0.12 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.84 1kpk h ALA 58 N 1.87 1.00 0.06 1.67 0.00 -0.84 -3.20 119.26 119.82 1kpk h ALA 58 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1kpk h ALA 58 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1kpk h ALA 58 CO 0.02 0.00 -1.72 2.35 0.00 0.00 0.00 179.25 179.90 1kpk h TRP 59 N 0.00 0.23 0.00 0.00 7.01 -0.62 -2.90 115.95 119.67 1kpk h TRP 59 Ca 0.00 -0.17 0.00 0.00 2.11 0.00 0.00 58.89 60.83 1kpk h TRP 59 Cb 0.74 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.79 1kpk h TRP 59 CO 0.00 1.30 0.00 -0.07 -2.79 0.00 0.00 178.44 176.88 1kpk h LEU 60 N 0.03 0.00 0.00 0.65 3.38 -1.48 0.72 115.31 118.61 1kpk h LEU 60 Ca -0.30 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.54 1kpk h LEU 60 Cb 2.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.74 1kpk h LEU 60 CO 0.10 0.00 -1.02 1.56 0.09 0.00 0.00 178.44 179.17 1kpk h GLN 61 N 0.00 0.00 0.02 1.13 4.20 -1.61 -1.02 115.11 117.84 1kpk h GLN 61 Ca 0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 1kpk h GLN 61 Cb 0.52 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.32 1kpk h GLN 61 CO 0.00 0.33 -0.80 -0.97 -0.67 0.00 0.00 178.83 176.72 1kpk h ASN 62 N 0.00 0.66 0.02 1.46 -0.00 -1.03 -2.73 115.58 113.96 1kpk h ASN 62 Ca -0.09 -0.78 -0.00 0.00 -0.00 0.00 0.00 56.30 55.43 1kpk h ASN 62 Cb 1.44 -0.20 0.00 0.00 -0.00 0.00 0.00 38.32 39.56 1kpk h ASN 62 CO 0.05 1.36 -0.01 1.56 -0.00 0.00 0.00 177.43 180.39 1kpk h GLN 63 N 0.04 -0.03 -0.08 6.67 1.08 -0.98 0.11 115.11 121.92 1kpk h GLN 63 Ca -0.11 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1kpk h GLN 63 Cb 1.51 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.94 1kpk h GLN 63 CO 0.16 0.52 0.20 -0.09 -0.95 0.00 0.00 178.83 178.67 1kpk h ARG 64 N -0.60 0.00 0.00 1.46 2.43 -1.30 0.67 114.38 117.04 1kpk h ARG 64 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1kpk h ARG 64 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1kpk h ARG 64 CO 0.01 0.00 -1.04 -1.33 -1.51 0.00 0.00 179.97 176.09 1kpk n MET 65 N -3.30 0.18 0.09 0.20 2.81 -1.03 -4.07 117.12 112.00 1kpk n MET 65 Ca -0.01 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1kpk n MET 65 Cb 0.29 -1.54 -0.03 0.00 -0.71 0.00 0.00 33.22 31.23 1kpk n MET 65 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1kpk h GLY 66 N 4.72 0.00 1.49 3.03 0.00 0.24 -3.22 103.07 109.32 1kpk h GLY 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1kpk h GLY 66 CO 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.45 1kpk n ALA 67 N -2.30 2.64 -0.55 3.60 0.00 -0.75 -3.37 120.51 119.78 1kpk n ALA 67 Ca -0.02 -0.19 0.08 0.00 0.00 0.00 0.00 53.44 53.32 1kpk n ALA 67 Cb 0.80 -1.40 0.35 0.00 0.00 0.00 0.00 19.45 19.21 1kpk n ALA 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1kpk n LEU 68 N -1.31 4.76 0.00 0.00 4.77 -1.22 -3.49 117.00 120.51 1kpk n LEU 68 Ca 0.11 -2.41 0.00 0.00 -0.03 0.00 0.00 56.01 53.68 1kpk n LEU 68 Cb 0.30 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1kpk n LEU 68 CO 0.26 0.73 0.04 0.52 -1.33 0.00 0.00 177.39 177.62 1kpk n VAL 69 N 0.96 0.00 0.04 4.08 0.31 -1.22 -4.15 118.33 118.36 1kpk n VAL 69 Ca 0.25 -0.20 -0.22 0.00 -0.01 0.00 0.00 64.34 64.15 1kpk n VAL 69 Cb 0.92 1.24 -0.14 0.00 -0.91 0.00 0.00 33.84 34.95 1kpk n VAL 69 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1kpk h HIS 70 N 0.00 0.60 -0.75 3.52 6.17 -1.65 -3.35 115.15 119.69 1kpk h HIS 70 Ca 0.00 -0.44 -0.53 0.00 0.71 0.00 0.00 60.37 60.11 1kpk h HIS 70 Cb 0.12 -0.02 -0.34 0.00 2.52 0.00 0.00 27.41 29.69 1kpk h HIS 70 CO 0.00 1.68 -0.24 0.25 0.71 0.00 0.00 177.93 180.33 1kpk n THR 71 N -3.66 2.84 0.13 6.26 -2.24 -1.23 -4.78 114.28 111.61 1kpk n THR 71 Ca -0.27 -3.64 -0.07 0.00 -2.27 0.00 0.00 64.05 57.81 1kpk n THR 71 Cb 1.03 -1.02 0.04 0.00 -2.10 0.00 0.00 70.33 68.28 1kpk n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kpk n ALA 72 N -0.83 3.63 -0.11 6.98 0.00 -1.26 -4.11 120.51 124.81 1kpk n ALA 72 Ca 0.47 -0.75 -0.16 0.00 0.00 0.00 0.00 53.44 53.00 1kpk n ALA 72 Cb 0.89 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.15 1kpk n ALA 72 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1kpk n ASP 73 N 0.32 1.92 -4.48 0.00 8.00 -1.26 -4.97 116.55 116.08 1kpk n ASP 73 Ca 0.15 0.38 -0.34 0.00 0.71 0.00 0.00 54.79 55.69 1kpk n ASP 73 Cb 0.72 -0.80 -0.12 0.00 -0.02 0.00 0.00 41.12 40.90 1kpk n ASP 73 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1kpk s ASN 74 N -6.49 4.69 0.27 -2.24 4.22 -1.26 -5.03 114.94 109.10 1kpk s ASN 74 Ca -0.31 -0.15 -0.01 0.00 -2.14 0.00 0.00 52.86 50.25 1kpk s ASN 74 Cb 0.08 -1.76 0.37 0.00 1.28 0.00 0.00 41.25 41.22 1kpk s ASN 74 CO 0.44 0.17 1.78 1.88 -2.04 0.00 0.00 177.10 179.33 1kpk h TYR 75 N 6.68 0.81 -0.34 1.54 -1.99 -1.93 -2.68 116.97 119.06 1kpk h TYR 75 Ca -0.30 -0.10 0.05 0.00 2.00 0.00 0.00 58.73 60.37 1kpk h TYR 75 Cb 1.19 -0.22 -0.04 0.00 2.00 0.00 0.00 36.73 39.66 1kpk h TYR 75 CO 0.53 0.74 0.08 -1.00 -0.00 0.00 0.00 178.16 178.51 1kpk h PRO 76 N 0.72 0.20 -0.02 4.88 0.13 -1.97 0.28 132.00 136.21 1kpk h PRO 76 Ca 0.14 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1kpk h PRO 76 Cb 0.42 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.50 1kpk h PRO 76 CO 0.02 0.13 -0.01 1.25 -0.23 0.00 0.00 178.00 179.15 1kpk h LEU 77 N 0.20 0.05 0.22 1.56 5.85 -1.92 -3.12 115.31 118.15 1kpk h LEU 77 Ca 0.16 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1kpk h LEU 77 Cb 0.17 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1kpk h LEU 77 CO -0.20 0.46 -0.45 0.25 -0.34 0.00 0.00 178.44 178.16 1kpk h LEU 78 N -0.36 -1.31 0.00 2.25 7.12 -1.30 0.60 115.31 122.32 1kpk h LEU 78 Ca 0.01 0.13 0.00 0.00 0.13 0.00 0.00 57.88 58.14 1kpk h LEU 78 Cb 0.44 0.46 0.00 0.00 -0.53 0.00 0.00 40.66 41.04 1kpk h LEU 78 CO 0.00 -0.51 0.05 0.18 -0.13 0.00 0.00 178.44 178.03 1kpk n LEU 79 N -5.04 0.00 -0.08 2.25 4.77 0.96 -1.93 117.00 117.92 1kpk n LEU 79 Ca -0.08 0.23 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 1kpk n LEU 79 Cb 0.37 -0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1kpk n LEU 79 CO 0.17 -0.23 -1.03 0.41 -1.33 0.00 0.00 177.39 175.38 1kpk n THR 80 N -1.19 0.89 0.23 -5.08 -1.04 -0.34 -4.01 114.28 103.74 1kpk n THR 80 Ca 0.00 -0.29 0.07 0.00 -2.04 0.00 0.00 64.05 61.79 1kpk n THR 80 Cb 0.05 -1.34 0.61 0.00 -1.82 0.00 0.00 70.33 67.83 1kpk n THR 80 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1kpk h VAL 81 N -0.26 1.02 0.79 12.58 -1.51 -0.51 0.19 116.25 128.55 1kpk h VAL 81 Ca -0.38 -0.08 -0.03 0.00 -1.23 0.00 0.00 66.70 64.98 1kpk h VAL 81 Cb 1.46 0.99 -0.00 0.00 -2.13 0.00 0.00 31.29 31.60 1kpk h VAL 81 CO -0.14 0.03 -0.46 0.00 -1.23 0.00 0.00 177.57 175.76 1kpk h ALA 82 N 1.96 -1.21 -0.79 5.19 0.00 -1.60 0.24 119.26 123.05 1kpk h ALA 82 Ca 0.01 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1kpk h ALA 82 Cb 0.03 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1kpk h ALA 82 CO -0.00 -1.19 0.52 0.35 0.00 0.00 0.00 179.25 178.93 1kpk h PHE 83 N -1.17 0.89 0.43 0.00 3.04 -1.49 -3.08 116.94 115.56 1kpk h PHE 83 Ca -0.10 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.85 1kpk h PHE 83 Cb 0.93 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.15 1kpk h PHE 83 CO -0.09 0.48 -0.21 1.25 -2.02 0.00 0.00 178.31 177.73 1kpk h LEU 84 N 0.89 -0.49 -0.75 0.59 5.85 -0.19 -0.75 115.31 120.45 1kpk h LEU 84 Ca 0.34 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.07 1kpk h LEU 84 Cb 0.19 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.28 1kpk h LEU 84 CO -0.11 -0.23 0.42 0.00 -0.34 0.00 0.00 178.44 178.18 1kpk h SER 86 N 0.73 0.47 -0.70 0.00 0.02 -1.56 -1.80 113.55 110.71 1kpk h SER 86 Ca 0.36 -0.42 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1kpk h SER 86 Cb 0.30 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1kpk h SER 86 CO -0.23 0.79 0.43 0.00 -1.14 0.00 0.00 176.83 176.69 1kpk h ALA 87 N 0.69 0.91 0.34 3.77 0.00 -0.69 0.22 119.26 124.50 1kpk h ALA 87 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1kpk h ALA 87 Cb 0.62 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1kpk h ALA 87 CO 0.03 0.21 -0.17 0.28 0.00 0.00 0.00 179.25 179.60 1kpk h VAL 88 N 0.85 0.66 -0.40 0.00 2.07 -0.75 -1.50 116.25 117.18 1kpk h VAL 88 Ca 0.28 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.79 1kpk h VAL 88 Cb 0.02 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1kpk h VAL 88 CO -0.11 0.00 0.21 -0.07 0.02 0.00 0.00 177.57 177.61 1kpk h LEU 89 N -0.46 0.52 -1.18 2.57 3.38 -1.07 -1.94 115.31 117.14 1kpk h LEU 89 Ca -0.05 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 57.88 1kpk h LEU 89 Cb 0.35 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1kpk h LEU 89 CO 0.07 0.48 0.58 0.00 0.09 0.00 0.00 178.44 179.66 1kpk h ALA 90 N 1.06 1.55 -1.65 1.53 0.00 -0.52 -1.06 119.26 120.17 1kpk h ALA 90 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1kpk h ALA 90 Cb 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1kpk h ALA 90 CO -0.02 0.31 0.00 -1.33 0.00 0.00 0.00 179.25 178.21 1kpk n MET 91 N -4.50 0.00 -0.43 0.00 2.81 -0.57 -0.74 117.12 113.69 1kpk n MET 91 Ca 0.14 0.36 0.34 0.00 -1.81 0.00 0.00 57.70 56.73 1kpk n MET 91 Cb 0.22 -1.22 0.55 0.00 -0.71 0.00 0.00 33.22 32.05 1kpk n MET 91 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1kpk n PHE 92 N -1.37 0.26 0.00 2.03 -0.00 -0.79 -0.97 117.46 116.62 1kpk n PHE 92 Ca 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 57.45 57.71 1kpk n PHE 92 Cb 0.00 -0.64 0.00 0.00 -0.00 0.00 0.00 39.48 38.84 1kpk n PHE 92 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1kpk n GLY 93 N -1.53 -0.93 0.39 7.13 0.00 -0.42 -2.92 105.19 106.91 1kpk n GLY 93 Ca 0.31 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.48 1kpk n GLY 93 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1kpk h TYR 94 N 0.00 0.00 0.00 1.61 -1.99 0.89 -2.36 116.97 115.12 1kpk h TYR 94 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1kpk h TYR 94 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1kpk h TYR 94 CO 0.06 0.00 0.00 0.34 -0.00 0.00 0.00 178.16 178.56 1kpk n PHE 95 N -3.05 0.00 -0.37 4.88 -0.00 -0.39 -1.39 117.46 117.13 1kpk n PHE 95 Ca 0.06 0.00 0.32 0.00 -0.00 0.00 0.00 57.45 57.83 1kpk n PHE 95 Cb 0.83 -0.12 0.53 0.00 -0.00 0.00 0.00 39.48 40.72 1kpk n PHE 95 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1kpk n LEU 96 N -0.87 0.17 0.07 -2.13 7.99 -0.91 0.57 117.00 121.89 1kpk n LEU 96 Ca 0.00 1.09 -0.11 0.00 -0.01 0.00 0.00 56.01 56.98 1kpk n LEU 96 Cb 0.00 -0.54 -0.08 0.00 -0.11 0.00 0.00 43.42 42.70 1kpk n LEU 96 CO 0.00 -1.18 0.43 0.58 -1.51 0.00 0.00 177.39 175.71 1kpk h VAL 97 N 0.00 0.83 -0.61 4.08 2.07 -1.54 -2.65 116.25 118.43 1kpk h VAL 97 Ca 0.69 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 1kpk h VAL 97 Cb 2.23 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 33.33 1kpk h VAL 97 CO -0.37 0.20 0.15 0.03 0.02 0.00 0.00 177.57 177.60 1kpk h ARG 98 N -0.83 0.94 0.00 1.57 2.47 0.14 0.83 114.38 119.49 1kpk h ARG 98 Ca -0.03 -0.21 -0.03 0.00 -1.26 0.00 0.00 59.98 58.45 1kpk h ARG 98 Cb 0.52 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 1kpk h ARG 98 CO 0.04 0.84 -0.42 -0.22 0.56 0.00 0.00 179.97 180.77 1kpk h LYS 99 N 0.90 0.00 0.00 0.04 1.63 -1.19 -3.42 116.57 114.53 1kpk h LYS 99 Ca 0.19 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.99 1kpk h LYS 99 Cb 0.32 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1kpk h LYS 99 CO -0.00 0.24 -0.63 1.88 -3.45 0.00 0.00 179.45 177.49 1kpk h TYR 100 N -1.00 0.00 -0.14 1.91 -1.99 -1.62 -3.45 116.97 110.68 1kpk h TYR 100 Ca -0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1kpk h TYR 100 Cb 0.52 0.00 -0.15 0.00 2.00 0.00 0.00 36.73 39.10 1kpk h TYR 100 CO -0.06 0.02 -0.10 0.00 -0.00 0.00 0.00 178.16 178.02 1kpk n ALA 101 N -2.15 -3.80 0.00 3.88 0.00 -1.07 -4.87 120.51 112.50 1kpk n ALA 101 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1kpk n ALA 101 Cb 0.55 -3.33 0.00 0.00 0.00 0.00 0.00 19.45 16.67 1kpk n ALA 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1kpk n PRO 102 N 2.41 0.00 0.03 0.00 -0.04 0.26 -1.79 135.00 135.87 1kpk n PRO 102 Ca 0.10 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.38 1kpk n PRO 102 Cb 0.66 -1.05 -0.14 0.00 -0.04 0.00 0.00 33.50 32.93 1kpk n PRO 102 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1kpk h GLU 103 N 0.00 0.23 -1.00 0.54 4.39 -1.95 -3.35 114.58 113.44 1kpk h GLU 103 Ca 0.00 -0.39 -0.04 0.00 0.34 0.00 0.00 59.36 59.27 1kpk h GLU 103 Cb 0.00 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1kpk h GLU 103 CO 0.00 1.06 0.05 0.00 -1.16 0.00 0.00 179.01 178.96 1kpk n ALA 104 N -2.80 2.75 -2.72 3.43 0.00 -0.74 -4.81 120.51 115.62 1kpk n ALA 104 Ca -0.24 -0.24 -0.34 0.00 0.00 0.00 0.00 53.44 52.63 1kpk n ALA 104 Cb 1.05 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.36 1kpk n ALA 104 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1kpk s GLY 105 N 0.69 1.73 0.00 0.00 0.00 -1.26 -4.28 107.32 104.20 1kpk s GLY 105 Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.92 1kpk s GLY 105 CO 0.01 -0.47 0.00 0.61 0.00 0.00 0.00 173.10 173.25 1kpk n GLY 106 N 2.59 0.41 0.00 0.20 0.00 -1.11 -4.78 105.19 102.50 1kpk n GLY 106 Ca -0.18 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1kpk n GLY 106 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kpk n SER 107 N 0.41 0.00 0.00 1.61 2.88 -1.26 -1.96 113.62 115.30 1kpk n SER 107 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1kpk n SER 107 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1kpk n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1kpk n GLY 108 N 2.19 0.54 0.12 0.46 0.00 -1.26 -4.10 105.19 103.14 1kpk n GLY 108 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1kpk n GLY 108 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1kpk h ILE 109 N 0.00 0.96 -0.51 -0.61 5.03 -1.94 -1.10 117.51 119.34 1kpk h ILE 109 Ca 0.00 -1.19 0.15 0.00 -0.12 0.00 0.00 64.86 63.70 1kpk h ILE 109 Cb 0.00 1.61 -0.02 0.00 -3.03 0.00 0.00 36.82 35.38 1kpk h ILE 109 CO 0.00 0.25 0.46 1.55 -0.68 0.00 0.00 178.15 179.72 1kpk h PRO 110 N -0.82 0.00 0.00 2.37 0.13 -1.95 0.71 132.00 132.44 1kpk h PRO 110 Ca -0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 1kpk h PRO 110 Cb 0.54 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 1kpk h PRO 110 CO 0.03 0.00 -0.09 1.49 -0.23 0.00 0.00 178.00 179.20 1kpk h GLU 111 N 0.00 0.00 -0.31 0.86 4.22 -1.89 -3.01 114.58 114.45 1kpk h GLU 111 Ca 0.24 0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.77 1kpk h GLU 111 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1kpk h GLU 111 CO -0.00 0.18 0.22 0.82 -2.18 0.00 0.00 179.01 178.05 1kpk h ILE 112 N -1.00 0.85 0.00 2.32 1.08 -0.60 0.52 117.51 120.68 1kpk h ILE 112 Ca -0.01 -0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.43 1kpk h ILE 112 Cb 0.24 0.84 -0.00 0.00 -3.07 0.00 0.00 36.82 34.83 1kpk h ILE 112 CO -0.01 0.00 -0.15 -0.08 -0.69 0.00 0.00 178.15 177.23 1kpk h GLU 113 N 0.01 0.00 0.17 2.37 4.81 0.33 -2.53 114.58 119.74 1kpk h GLU 113 Ca 0.15 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.07 1kpk h GLU 113 Cb 0.58 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.97 1kpk h GLU 113 CO -0.00 0.15 -1.54 0.78 -0.73 0.00 0.00 179.01 177.67 1kpk h GLY 114 N 1.02 0.40 1.60 1.92 0.00 0.14 -3.31 103.07 104.84 1kpk h GLY 114 Ca -0.00 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 46.30 1kpk h GLY 114 CO 0.02 0.90 0.15 0.00 0.00 0.00 0.00 176.54 177.61 1kpk n ALA 115 N -2.87 0.83 1.14 3.60 0.00 -0.48 0.12 120.51 122.85 1kpk n ALA 115 Ca -0.23 0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1kpk n ALA 115 Cb 1.00 -1.05 0.33 0.00 0.00 0.00 0.00 19.45 19.73 1kpk n ALA 115 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1kpk n LEU 116 N -2.15 0.78 -0.10 0.00 4.77 -1.13 -3.15 117.00 116.02 1kpk n LEU 116 Ca -0.01 -0.14 0.07 0.00 -0.03 0.00 0.00 56.01 55.90 1kpk n LEU 116 Cb 0.17 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1kpk n LEU 116 CO 0.08 0.16 0.05 -0.62 -1.33 0.00 0.00 177.39 175.72 1kpk n GLU 117 N -1.02 2.08 -2.01 3.23 -0.58 0.31 -4.61 120.64 118.04 1kpk n GLU 117 Ca 0.09 -0.22 -0.02 0.00 -0.42 0.00 0.00 57.16 56.60 1kpk n GLU 117 Cb 0.34 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 1kpk n GLU 117 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1kpk n ASP 118 N -1.01 -4.08 -3.56 1.62 8.00 -0.79 -5.11 116.55 111.63 1kpk n ASP 118 Ca 0.04 0.09 -0.06 0.00 0.71 0.00 0.00 54.79 55.57 1kpk n ASP 118 Cb 0.25 -2.54 -0.02 0.00 -0.02 0.00 0.00 41.12 38.80 1kpk n ASP 118 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1kpk s GLN 119 N -2.21 0.59 -1.27 -1.24 -0.21 -1.24 -4.99 119.66 109.10 1kpk s GLN 119 Ca 0.05 -0.23 -0.11 0.00 0.02 0.00 0.00 55.36 55.09 1kpk s GLN 119 Cb -0.01 0.26 -0.00 0.00 1.00 0.00 0.00 33.01 34.26 1kpk s GLN 119 CO 0.27 -0.26 0.62 0.54 -2.12 0.00 0.00 175.29 174.33 1kpk n ARG 120 N -0.19 -2.26 -0.94 2.91 5.12 -1.26 -3.41 116.66 116.63 1kpk n ARG 120 Ca -0.04 0.42 -0.36 0.00 -1.93 0.00 0.00 57.85 55.93 1kpk n ARG 120 Cb 0.60 -4.26 0.06 0.00 -1.16 0.00 0.00 32.46 27.70 1kpk n ARG 120 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1kpk n PRO 121 N -4.34 -0.22 -3.96 5.56 -0.04 -1.26 -4.54 135.00 126.21 1kpk n PRO 121 Ca -0.20 -0.06 -0.35 0.00 -0.04 0.00 0.00 63.50 62.85 1kpk n PRO 121 Cb 0.64 -1.17 -0.11 0.00 -0.04 0.00 0.00 33.50 32.81 1kpk n PRO 121 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1kpk s VAL 122 N -2.07 4.53 -0.73 0.52 1.01 -1.26 -5.03 120.40 117.37 1kpk s VAL 122 Ca 0.42 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.33 1kpk s VAL 122 Cb -0.06 -3.06 0.19 0.00 0.00 0.00 0.00 36.38 33.44 1kpk s VAL 122 CO 0.73 0.41 0.59 -2.11 0.00 0.00 0.00 175.10 174.72 1kpk n ARG 123 N 4.08 2.10 -0.25 2.72 0.00 -1.26 -4.93 116.66 119.12 1kpk n ARG 123 Ca -0.16 -4.53 0.01 0.00 -0.00 0.00 0.00 57.85 53.17 1kpk n ARG 123 Cb 0.52 -2.30 0.14 0.00 -0.00 0.00 0.00 32.46 30.81 1kpk n ARG 123 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.63 177.74 1kpk h TRP 124 N 5.23 0.64 -0.98 2.89 0.09 -1.96 -1.71 115.95 120.15 1kpk h TRP 124 Ca 0.16 0.03 0.28 0.00 0.09 0.00 0.00 58.89 59.45 1kpk h TRP 124 Cb 0.74 -0.18 -0.04 0.00 0.08 0.00 0.00 29.16 29.76 1kpk h TRP 124 CO 0.70 0.24 1.20 0.11 0.09 0.00 0.00 178.44 180.78 1kpk h TRP 125 N 0.61 0.00 0.00 0.12 0.09 -1.96 -1.11 115.95 113.70 1kpk h TRP 125 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.33 1kpk h TRP 125 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.60 1kpk h TRP 125 CO -0.10 0.00 0.00 0.54 0.09 0.00 0.00 178.44 178.97 1kpk n ARG 126 N -3.22 0.00 -0.32 0.12 1.74 -0.71 -4.79 116.66 109.47 1kpk n ARG 126 Ca 0.22 0.00 0.31 0.00 -0.77 0.00 0.00 57.85 57.61 1kpk n ARG 126 Cb 1.49 -0.16 0.57 0.00 -1.02 0.00 0.00 32.46 33.34 1kpk n ARG 126 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1kpk n VAL 127 N -2.09 -0.37 0.00 1.55 0.31 -0.83 -2.27 118.33 114.63 1kpk n VAL 127 Ca 0.00 1.86 0.00 0.00 -0.01 0.00 0.00 64.34 66.19 1kpk n VAL 127 Cb 0.00 -3.03 0.00 0.00 -0.91 0.00 0.00 33.84 29.90 1kpk n VAL 127 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1kpk n LEU 128 N -5.02 0.00 0.32 7.52 4.77 -0.43 -0.24 117.00 123.92 1kpk n LEU 128 Ca 0.36 0.81 0.20 0.00 -0.03 0.00 0.00 56.01 57.35 1kpk n LEU 128 Cb 1.25 -0.31 1.10 0.00 -2.33 0.00 0.00 43.42 43.14 1kpk n LEU 128 CO 0.04 -0.31 1.17 1.55 -1.33 0.00 0.00 177.39 178.51 1kpk h PRO 129 N 0.00 0.00 0.19 3.23 0.13 -1.72 -0.72 132.00 133.12 1kpk h PRO 129 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1kpk h PRO 129 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1kpk h PRO 129 CO 0.00 0.00 -0.09 0.28 -0.23 0.00 0.00 178.00 177.96 1kpk h VAL 130 N 0.00 0.00 -0.93 1.56 2.07 -1.21 -2.31 116.25 115.43 1kpk h VAL 130 Ca 0.01 -0.32 0.11 0.00 0.82 0.00 0.00 66.70 67.31 1kpk h VAL 130 Cb 0.09 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.78 1kpk h VAL 130 CO -0.00 0.00 0.57 0.50 0.02 0.00 0.00 177.57 178.66 1kpk h LYS 131 N -0.58 0.89 0.84 1.57 1.63 -0.49 1.51 116.57 121.93 1kpk h LYS 131 Ca -0.03 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.68 1kpk h LYS 131 Cb 0.20 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1kpk h LYS 131 CO 0.04 0.59 -0.43 0.35 -3.45 0.00 0.00 179.45 176.55 1kpk h PHE 132 N 0.92 -1.14 -0.05 1.91 -0.00 -1.23 -0.86 116.94 116.49 1kpk h PHE 132 Ca 0.46 -0.02 -0.19 0.00 -0.00 0.00 0.00 57.97 58.21 1kpk h PHE 132 Cb 0.43 0.39 -0.00 0.00 -0.00 0.00 0.00 35.95 36.76 1kpk h PHE 132 CO -0.03 -0.68 -0.79 0.74 -0.00 0.00 0.00 178.31 177.55 1kpk h PHE 133 N -1.17 0.50 0.57 0.41 0.04 -1.13 -1.47 116.94 114.69 1kpk h PHE 133 Ca -0.11 -0.24 -0.02 0.00 2.80 0.00 0.00 57.97 60.40 1kpk h PHE 133 Cb 0.91 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.97 1kpk h PHE 133 CO -0.01 1.01 -0.40 0.78 -0.60 0.00 0.00 178.31 179.10 1kpk h GLY 134 N 1.38 -1.04 1.02 -1.45 0.00 0.21 0.10 103.07 103.29 1kpk h GLY 134 Ca -0.04 0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.68 1kpk h GLY 134 CO 0.13 -0.36 0.17 -1.33 0.00 0.00 0.00 176.54 175.15 1kpk h GLY 135 N -0.93 1.07 0.58 4.60 0.00 -1.24 0.36 103.07 107.51 1kpk h GLY 135 Ca -0.07 -0.66 0.15 0.00 0.00 0.00 0.00 47.33 46.76 1kpk h GLY 135 CO 0.03 0.61 0.57 -2.00 0.00 0.00 0.00 176.54 175.75 1kpk h LEU 136 N 0.92 0.00 0.00 3.11 5.85 -0.94 0.34 115.31 124.59 1kpk h LEU 136 Ca 0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1kpk h LEU 136 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1kpk h LEU 136 CO -0.00 0.00 -0.05 1.23 -0.34 0.00 0.00 178.44 179.27 1kpk h GLY 137 N 0.00 0.00 0.30 3.75 0.00 0.11 -3.06 103.07 104.17 1kpk h GLY 137 Ca 0.24 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.67 1kpk h GLY 137 CO -0.00 0.00 0.13 -0.91 0.00 0.00 0.00 176.54 175.75 1kpk h THR 138 N -0.80 0.70 -0.12 4.70 1.35 -0.17 0.46 112.91 119.03 1kpk h THR 138 Ca 0.00 -0.09 -0.13 0.00 -0.55 0.00 0.00 66.41 65.63 1kpk h THR 138 Cb 0.05 0.41 0.01 0.00 -1.73 0.00 0.00 68.15 66.89 1kpk h THR 138 CO 0.00 0.05 -0.45 -0.07 -0.25 0.00 0.00 175.52 174.80 1kpk h LEU 139 N 0.27 0.60 -1.34 3.87 3.38 -0.61 -2.75 115.31 118.72 1kpk h LEU 139 Ca 0.28 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1kpk h LEU 139 Cb 0.38 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1kpk h LEU 139 CO -0.35 1.12 0.00 1.23 0.09 0.00 0.00 178.44 180.53 1kpk h GLY 140 N 0.11 0.00 2.00 0.83 0.00 -1.38 0.87 103.07 105.49 1kpk h GLY 140 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.18 1kpk h GLY 140 CO 0.09 0.00 -0.61 -1.33 0.00 0.00 0.00 176.54 174.69 1kpk h GLY 141 N 0.91 0.00 0.00 4.60 0.00 -0.62 -3.37 103.07 104.59 1kpk h GLY 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1kpk h GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1kpk n GLY 142 N 0.98 1.59 3.85 4.60 0.00 0.30 -4.46 105.19 112.05 1kpk n GLY 142 Ca 0.01 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1kpk n GLY 142 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1kpk s MET 143 N -0.77 3.69 -1.24 1.61 -1.94 -1.11 -3.02 119.30 116.52 1kpk s MET 143 Ca 0.00 0.91 -0.10 0.00 -1.71 0.00 0.00 55.69 54.79 1kpk s MET 143 Cb 0.00 -2.10 -0.07 0.00 2.01 0.00 0.00 34.83 34.68 1kpk s MET 143 CO 0.00 -0.49 2.44 0.28 -0.01 0.00 0.00 175.02 177.24 1kpk n VAL 144 N -2.14 3.22 -4.79 -6.03 0.31 -1.26 -3.90 118.33 103.75 1kpk n VAL 144 Ca 0.07 -2.08 -0.25 0.00 -0.01 0.00 0.00 64.34 62.07 1kpk n VAL 144 Cb 0.54 -2.39 -0.16 0.00 -0.91 0.00 0.00 33.84 30.92 1kpk n VAL 144 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1kpk s LEU 145 N 0.47 1.96 0.66 7.52 1.43 -1.26 -4.66 118.68 124.80 1kpk s LEU 145 Ca 0.54 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 53.23 1kpk s LEU 145 Cb 0.14 -0.89 0.01 0.00 0.03 0.00 0.00 46.19 45.48 1kpk s LEU 145 CO -0.04 0.17 1.03 -0.83 0.23 0.00 0.00 176.35 176.91 1kpk s GLY 146 N -0.17 1.62 -0.08 -3.19 0.00 0.18 -4.63 107.32 101.06 1kpk s GLY 146 Ca 0.01 -0.45 0.20 0.00 0.00 0.00 0.00 44.72 44.48 1kpk s GLY 146 CO 0.01 -0.12 1.61 -0.96 0.00 0.00 0.00 173.10 173.64 1kpk n ARG 147 N -2.85 3.43 0.05 2.90 1.85 -1.26 -1.71 116.66 119.07 1kpk n ARG 147 Ca 0.06 -2.83 -0.06 0.00 -1.00 0.00 0.00 57.85 54.02 1kpk n ARG 147 Cb 0.57 -1.80 -0.04 0.00 -1.05 0.00 0.00 32.46 30.14 1kpk n ARG 147 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1kpk h GLU 148 N 4.23 -0.23 0.00 2.89 3.07 -1.93 -3.11 114.58 119.51 1kpk h GLU 148 Ca 0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1kpk h GLU 148 Cb 1.31 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 1kpk h GLU 148 CO 0.16 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.18 1kpk n GLY 149 N 1.03 -2.14 0.40 -3.84 0.00 -1.26 0.35 105.19 99.73 1kpk n GLY 149 Ca -0.05 0.42 -0.08 0.00 0.00 0.00 0.00 46.02 46.32 1kpk n GLY 149 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kpk h PRO 150 N 0.00 -0.17 -0.46 1.61 0.13 -1.71 -1.13 132.00 130.27 1kpk h PRO 150 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1kpk h PRO 150 Cb 0.00 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.15 1kpk h PRO 150 CO 0.00 -0.12 0.30 1.79 -0.23 0.00 0.00 178.00 179.74 1kpk h THR 151 N -0.18 1.12 -0.44 1.56 1.35 -0.87 0.34 112.91 115.79 1kpk h THR 151 Ca 0.19 -0.24 0.03 0.00 -0.55 0.00 0.00 66.41 65.84 1kpk h THR 151 Cb 0.55 0.46 -0.04 0.00 -1.73 0.00 0.00 68.15 67.40 1kpk h THR 151 CO -0.75 0.12 0.23 0.58 -0.25 0.00 0.00 175.52 175.45 1kpk h VAL 152 N 0.62 0.99 0.46 6.82 2.07 0.42 0.47 116.25 128.10 1kpk h VAL 152 Ca 0.17 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1kpk h VAL 152 Cb -0.06 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1kpk h VAL 152 CO -0.04 0.08 -0.22 -0.61 0.02 0.00 0.00 177.57 176.81 1kpk h GLN 153 N 0.46 -0.60 -1.49 1.57 4.15 -0.92 0.65 115.11 118.93 1kpk h GLN 153 Ca 0.19 0.04 0.43 0.00 0.77 0.00 0.00 58.65 60.08 1kpk h GLN 153 Cb 0.07 0.14 -0.06 0.00 0.21 0.00 0.00 27.48 27.84 1kpk h GLN 153 CO -0.12 -0.40 1.08 0.82 -1.93 0.00 0.00 178.83 178.28 1kpk h ILE 154 N -1.12 0.25 0.07 2.39 2.04 -0.32 0.31 117.51 121.13 1kpk h ILE 154 Ca -0.06 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1kpk h ILE 154 Cb 0.48 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1kpk h ILE 154 CO 0.10 0.00 -0.03 1.23 0.00 0.00 0.00 178.15 179.45 1kpk h GLY 155 N 0.00 -0.09 0.68 5.37 0.00 0.30 0.27 103.07 109.59 1kpk h GLY 155 Ca 0.71 0.03 0.06 0.00 0.00 0.00 0.00 47.33 48.14 1kpk h GLY 155 CO -0.01 -0.03 0.43 -1.33 0.00 0.00 0.00 176.54 175.60 1kpk h GLY 156 N -0.68 1.11 0.89 4.60 0.00 0.19 0.16 103.07 109.34 1kpk h GLY 156 Ca -0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1kpk h GLY 156 CO 0.01 0.19 -0.34 3.43 0.00 0.00 0.00 176.54 179.83 1kpk h ASN 157 N 0.78 -0.80 0.00 0.19 4.21 -0.93 0.14 115.58 119.18 1kpk h ASN 157 Ca 0.33 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.84 1kpk h ASN 157 Cb 0.20 0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 1kpk h ASN 157 CO -0.19 -0.50 0.36 0.40 -1.29 0.00 0.00 177.43 176.22 1kpk h ILE 158 N -1.06 0.00 0.00 2.81 1.08 -0.04 0.78 117.51 121.08 1kpk h ILE 158 Ca -0.10 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1kpk h ILE 158 Cb 0.75 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 1kpk h ILE 158 CO 0.16 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.23 1kpk n GLY 159 N -1.26 -1.33 0.31 5.37 0.00 0.53 -3.44 105.19 105.38 1kpk n GLY 159 Ca -0.01 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.20 1kpk n GLY 159 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1kpk h ARG 160 N 0.00 0.00 -0.37 1.61 0.11 -0.73 -2.24 114.38 112.76 1kpk h ARG 160 Ca 0.00 0.00 0.07 0.00 0.10 0.00 0.00 59.98 60.15 1kpk h ARG 160 Cb 0.00 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.02 1kpk h ARG 160 CO 0.00 0.02 -0.05 1.98 0.10 0.00 0.00 179.97 182.02 1kpk h MET 161 N 0.00 0.05 0.00 0.08 4.05 -0.96 0.38 114.93 118.52 1kpk h MET 161 Ca -0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1kpk h MET 161 Cb 0.18 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 1kpk h MET 161 CO 0.00 0.03 0.00 1.33 0.23 0.00 0.00 176.91 178.50 1kpk n VAL 162 N -5.24 0.23 0.08 -5.77 0.24 -0.86 -0.91 118.33 106.11 1kpk n VAL 162 Ca 0.02 0.06 -0.17 0.00 -2.04 0.00 0.00 64.34 62.20 1kpk n VAL 162 Cb 0.20 -0.62 -0.09 0.00 -1.47 0.00 0.00 33.84 31.85 1kpk n VAL 162 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1kpk h LEU 163 N 0.00 0.67 0.08 1.34 5.85 -0.22 -3.10 115.31 119.93 1kpk h LEU 163 Ca 0.00 -0.59 -0.28 0.00 0.84 0.00 0.00 57.88 57.85 1kpk h LEU 163 Cb 0.39 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1kpk h LEU 163 CO 0.00 1.41 -1.41 0.44 -0.34 0.00 0.00 178.44 178.53 1kpk h ASP 164 N 0.24 0.28 0.23 1.25 5.19 -0.27 0.81 116.42 124.14 1kpk h ASP 164 Ca -0.13 -0.37 -0.07 0.00 -0.62 0.00 0.00 57.03 55.84 1kpk h ASP 164 Cb 1.77 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 41.18 1kpk h ASP 164 CO 0.20 1.30 -0.28 0.40 -3.12 0.00 0.00 179.24 177.74 1kpk h ILE 165 N 0.05 1.23 -0.07 0.35 2.04 -1.13 -2.70 117.51 117.29 1kpk h ILE 165 Ca -0.19 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1kpk h ILE 165 Cb 1.96 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.55 1kpk h ILE 165 CO 0.15 0.31 0.00 0.49 0.00 0.00 0.00 178.15 179.11 1kpk n PHE 166 N -4.17 0.07 -2.66 1.37 3.72 -1.17 -5.06 117.46 109.56 1kpk n PHE 166 Ca -0.02 -0.07 -0.08 0.00 -0.05 0.00 0.00 57.45 57.23 1kpk n PHE 166 Cb 0.35 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.90 1kpk n PHE 166 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1kpk n ARG 167 N 0.69 -0.53 -4.14 -1.08 1.85 0.23 -4.98 116.66 108.70 1kpk n ARG 167 Ca 0.08 0.72 -0.29 0.00 -1.00 0.00 0.00 57.85 57.36 1kpk n ARG 167 Cb 0.33 -0.95 -0.08 0.00 -1.05 0.00 0.00 32.46 30.71 1kpk n ARG 167 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1kpk s LEU 168 N -1.06 3.48 0.47 2.89 1.43 -0.90 -5.02 118.68 119.96 1kpk s LEU 168 Ca 0.08 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.03 1kpk s LEU 168 Cb -0.01 -2.17 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 1kpk s LEU 168 CO 0.18 0.14 0.37 -0.54 0.23 0.00 0.00 176.35 176.73 1kpk s LYS 169 N -2.57 2.38 0.00 1.70 3.01 -1.26 -4.89 119.74 118.12 1kpk s LYS 169 Ca 0.27 -1.75 0.00 0.00 -1.01 0.00 0.00 55.97 53.48 1kpk s LYS 169 Cb -0.11 -2.23 0.00 0.00 -1.01 0.00 0.00 37.83 34.48 1kpk s LYS 169 CO 0.19 -0.36 0.00 0.41 0.51 0.00 0.00 175.35 176.11 1kpk n GLY 170 N -1.60 -0.14 0.07 -3.33 0.00 -1.26 -4.06 105.19 94.87 1kpk n GLY 170 Ca 0.02 -1.76 -0.07 0.00 0.00 0.00 0.00 46.02 44.20 1kpk n GLY 170 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1kpk h ASP 171 N 0.00 0.00 0.00 1.61 3.45 -1.97 -3.24 116.42 116.27 1kpk h ASP 171 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1kpk h ASP 171 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1kpk h ASP 171 CO 0.00 0.95 0.00 1.21 -1.57 0.00 0.00 179.24 179.83 1kpk n GLU 172 N -3.19 0.00 0.32 3.56 4.07 -1.26 -0.63 120.64 123.51 1kpk n GLU 172 Ca -0.08 0.32 0.15 0.00 -0.06 0.00 0.00 57.16 57.49 1kpk n GLU 172 Cb 0.97 -1.06 0.80 0.00 -0.06 0.00 0.00 31.44 32.09 1kpk n GLU 172 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1kpk h ALA 173 N -1.94 1.30 0.00 4.31 0.00 -1.73 -1.61 119.26 119.59 1kpk h ALA 173 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kpk h ALA 173 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1kpk h ALA 173 CO 0.00 -0.30 -0.09 -0.09 0.00 0.00 0.00 179.25 178.77 1kpk h ARG 174 N 0.00 0.00 -0.95 0.00 2.43 -1.46 -3.01 114.38 111.38 1kpk h ARG 174 Ca 0.00 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.36 1kpk h ARG 174 Cb 0.61 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.06 1kpk h ARG 174 CO 0.00 0.00 0.53 0.45 -1.51 0.00 0.00 179.97 179.44 1kpk h HIS 175 N -0.68 0.93 0.00 2.20 3.86 -0.65 -2.78 115.15 118.03 1kpk h HIS 175 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1kpk h HIS 175 Cb 0.09 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.30 1kpk h HIS 175 CO -0.04 0.16 0.00 2.41 0.86 0.00 0.00 177.93 181.32 1kpk n THR 176 N -4.85 0.00 0.16 2.45 -1.04 -0.63 -1.79 114.28 108.59 1kpk n THR 176 Ca 0.22 1.26 0.04 0.00 -2.04 0.00 0.00 64.05 63.53 1kpk n THR 176 Cb 0.57 -2.24 0.20 0.00 -1.82 0.00 0.00 70.33 67.04 1kpk n THR 176 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1kpk n LEU 177 N -1.71 0.19 -0.05 -4.42 7.99 -1.14 -0.50 117.00 117.36 1kpk n LEU 177 Ca 0.00 0.42 -0.02 0.00 -0.01 0.00 0.00 56.01 56.39 1kpk n LEU 177 Cb 0.00 -0.28 -0.01 0.00 -0.11 0.00 0.00 43.42 43.02 1kpk n LEU 177 CO 0.00 -0.48 -0.18 0.25 -1.51 0.00 0.00 177.39 175.47 1kpk h LEU 178 N 0.00 0.00 -0.77 2.23 5.85 -1.44 -3.27 115.31 117.91 1kpk h LEU 178 Ca 0.00 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.89 1kpk h LEU 178 Cb 0.99 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.88 1kpk h LEU 178 CO 0.00 0.52 -0.06 0.00 -0.34 0.00 0.00 178.44 178.56 1kpk h ALA 179 N -1.23 0.72 -0.42 1.25 0.00 0.02 0.14 119.26 119.74 1kpk h ALA 179 Ca 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1kpk h ALA 179 Cb 0.27 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1kpk h ALA 179 CO 0.00 -0.43 0.25 1.79 0.00 0.00 0.00 179.25 180.86 1kpk h THR 180 N 0.06 1.13 -0.83 0.00 1.35 -1.47 0.37 112.91 113.53 1kpk h THR 180 Ca 0.41 -0.31 0.19 0.00 -0.55 0.00 0.00 66.41 66.15 1kpk h THR 180 Cb 0.70 0.59 -0.05 0.00 -1.73 0.00 0.00 68.15 67.66 1kpk h THR 180 CO -0.72 0.14 0.56 1.23 -0.25 0.00 0.00 175.52 176.47 1kpk h GLY 181 N 0.55 0.67 0.39 5.82 0.00 -0.82 0.53 103.07 110.21 1kpk h GLY 181 Ca 0.15 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1kpk h GLY 181 CO -0.03 0.02 -0.20 0.00 0.00 0.00 0.00 176.54 176.33 1kpk h ALA 182 N 1.62 0.02 0.37 3.60 0.00 -0.06 -2.28 119.26 122.53 1kpk h ALA 182 Ca 0.42 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1kpk h ALA 182 Cb 1.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1kpk h ALA 182 CO -0.13 0.05 -0.18 0.00 0.00 0.00 0.00 179.25 178.99 1kpk h ALA 183 N 0.23 -0.49 -0.27 0.00 0.00 0.78 0.11 119.26 119.61 1kpk h ALA 183 Ca -0.03 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1kpk h ALA 183 Cb 0.97 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1kpk h ALA 183 CO 0.04 -0.77 0.37 0.00 0.00 0.00 0.00 179.25 178.88 1kpk h ALA 184 N 0.13 1.87 -0.48 0.00 0.00 -0.08 0.22 119.26 120.92 1kpk h ALA 184 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1kpk h ALA 184 Cb 0.39 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1kpk h ALA 184 CO 0.08 -0.51 0.00 0.41 0.00 0.00 0.00 179.25 179.24 1kpk n GLY 185 N -1.41 -1.60 0.38 0.00 0.00 0.25 -2.20 105.19 100.62 1kpk n GLY 185 Ca 0.04 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.27 1kpk n GLY 185 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1kpk h LEU 186 N 0.00 0.54 0.09 0.99 5.85 -0.52 -1.39 115.31 120.87 1kpk h LEU 186 Ca 0.00 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1kpk h LEU 186 Cb 0.00 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1kpk h LEU 186 CO 0.00 0.10 -0.04 0.00 -0.34 0.00 0.00 178.44 178.16 1kpk h ALA 187 N 1.66 -0.12 0.00 1.25 0.00 -0.65 -2.55 119.26 118.85 1kpk h ALA 187 Ca 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1kpk h ALA 187 Cb 1.39 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1kpk h ALA 187 CO -0.37 -0.56 0.00 0.00 0.00 0.00 0.00 179.25 178.32 1kpk n ALA 188 N -2.15 2.07 0.13 0.00 0.00 -0.61 -0.18 120.51 119.78 1kpk n ALA 188 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1kpk n ALA 188 Cb 0.08 -1.42 0.10 0.00 0.00 0.00 0.00 19.45 18.22 1kpk n ALA 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kpk h ALA 189 N 2.61 0.74 0.00 0.00 0.00 -0.89 -3.34 119.26 118.37 1kpk h ALA 189 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1kpk h ALA 189 Cb 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1kpk h ALA 189 CO 0.00 0.76 0.00 1.19 0.00 0.00 0.00 179.25 181.20 1kpk n PHE 190 N -3.44 0.00 -3.61 0.00 0.99 -1.16 -4.96 117.46 105.29 1kpk n PHE 190 Ca 0.00 -0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.22 1kpk n PHE 190 Cb 0.70 -0.00 0.07 0.00 -1.00 0.00 0.00 39.48 39.25 1kpk n PHE 190 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1kpk n ASN 191 N -0.00 -5.29 -3.53 4.37 5.15 0.75 -4.90 115.26 111.80 1kpk n ASN 191 Ca 0.00 -0.59 -0.27 0.00 -0.60 0.00 0.00 54.58 53.12 1kpk n ASN 191 Cb 0.09 -4.90 -0.09 0.00 -0.53 0.00 0.00 39.78 34.35 1kpk n ASN 191 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kpk n ALA 192 N -4.80 3.66 -0.20 5.20 0.00 -0.34 -4.95 120.51 119.08 1kpk n ALA 192 Ca -0.05 -4.48 0.01 0.00 0.00 0.00 0.00 53.44 48.92 1kpk n ALA 192 Cb 0.58 -0.92 0.11 0.00 0.00 0.00 0.00 19.45 19.22 1kpk n ALA 192 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1kpk h PRO 193 N 4.56 0.22 -0.50 0.00 0.13 -1.91 0.21 132.00 134.72 1kpk h PRO 193 Ca 0.18 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.23 1kpk h PRO 193 Cb 0.72 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.78 1kpk h PRO 193 CO 0.74 0.15 0.05 -0.07 -0.23 0.00 0.00 178.00 178.64 1kpk h LEU 194 N 0.23 0.76 -0.42 1.56 3.38 -1.96 -2.11 115.31 116.74 1kpk h LEU 194 Ca 0.32 -0.16 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 1kpk h LEU 194 Cb 0.48 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1kpk h LEU 194 CO -0.43 0.79 -0.70 0.00 0.09 0.00 0.00 178.44 178.20 1kpk h ALA 195 N 1.30 0.61 0.03 1.53 0.00 -1.59 -2.14 119.26 119.00 1kpk h ALA 195 Ca 0.15 -0.59 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1kpk h ALA 195 Cb 0.39 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1kpk h ALA 195 CO 0.01 0.75 -0.09 0.78 0.00 0.00 0.00 179.25 180.70 1kpk h GLY 196 N 1.24 -0.12 0.66 0.00 0.00 -0.29 -2.18 103.07 102.37 1kpk h GLY 196 Ca -0.03 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1kpk h GLY 196 CO 0.12 -0.09 -0.32 -2.22 0.00 0.00 0.00 176.54 174.03 1kpk h ILE 197 N -0.16 0.00 0.00 2.60 2.04 -1.38 -2.87 117.51 117.74 1kpk h ILE 197 Ca 0.03 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1kpk h ILE 197 Cb 0.19 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1kpk h ILE 197 CO -0.07 0.00 0.37 0.18 0.00 0.00 0.00 178.15 178.63 1kpk n LEU 198 N -4.73 0.23 -0.02 1.44 4.77 -0.81 -0.77 117.00 117.12 1kpk n LEU 198 Ca -0.11 0.46 -0.16 0.00 -0.03 0.00 0.00 56.01 56.16 1kpk n LEU 198 Cb 0.35 -0.38 -0.13 0.00 -2.33 0.00 0.00 43.42 40.92 1kpk n LEU 198 CO 0.26 -0.54 0.27 0.15 -1.33 0.00 0.00 177.39 176.20 1kpk h PHE 199 N 0.00 0.24 0.00 -1.77 3.57 -1.16 -3.15 116.94 114.67 1kpk h PHE 199 Ca 0.00 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1kpk h PHE 199 Cb 0.73 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1kpk h PHE 199 CO 0.00 1.10 0.00 -0.89 -2.23 0.00 0.00 178.31 176.29 1kpk n ILE 200 N -4.42 0.00 -2.09 1.41 2.08 0.05 -1.20 119.36 115.19 1kpk n ILE 200 Ca -0.11 0.00 -0.00 0.00 0.56 0.00 0.00 62.75 63.19 1kpk n ILE 200 Cb 0.61 -0.31 -0.01 0.00 -0.75 0.00 0.00 39.64 39.18 1kpk n ILE 200 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1kpk n ILE 201 N -0.41 0.00 0.00 1.39 -5.35 -1.22 -4.02 119.36 109.75 1kpk n ILE 201 Ca 0.00 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 1kpk n ILE 201 Cb 0.01 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 1kpk n ILE 201 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1kpk n GLU 202 N 0.09 4.29 0.00 6.28 2.13 -1.05 -5.02 120.64 127.36 1kpk n GLU 202 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1kpk n GLU 202 Cb 0.72 -0.43 0.00 0.00 0.27 0.00 0.00 31.44 32.00 1kpk n GLU 202 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1kpk n GLU 203 N -0.08 0.00 0.00 5.31 4.07 -0.34 -4.93 120.64 124.66 1kpk n GLU 203 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1kpk n GLU 203 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1kpk n GLU 203 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 1kpk n MET 204 N 0.00 0.00 -1.09 5.31 2.81 -1.09 -4.61 117.12 118.44 1kpk n MET 204 Ca 0.00 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.53 1kpk n MET 204 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 1kpk n MET 204 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1kpk n ARG 205 N -0.48 0.00 -1.67 0.03 -4.01 -1.26 -4.79 116.66 104.49 1kpk n ARG 205 Ca 0.00 0.00 -0.47 0.00 -1.04 0.00 0.00 57.85 56.34 1kpk n ARG 205 Cb 0.00 -0.83 -0.04 0.00 -3.04 0.00 0.00 32.46 28.54 1kpk n ARG 205 CO 0.00 0.00 0.00 -0.35 -3.04 0.00 0.00 177.63 174.24 1kpk n PRO 206 N 1.08 2.12 0.00 2.89 -0.04 -1.26 -4.92 135.00 134.87 1kpk n PRO 206 Ca 0.10 0.77 0.12 0.00 -0.04 0.00 0.00 63.50 64.45 1kpk n PRO 206 Cb 0.32 -2.55 0.09 0.00 -0.04 0.00 0.00 33.50 31.31 1kpk n PRO 206 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1kpk n GLN 207 N 4.12 2.17 -0.22 0.54 6.02 -1.26 -4.53 117.38 124.22 1kpk n GLN 207 Ca 0.18 -1.80 0.06 0.00 -0.01 0.00 0.00 57.00 55.43 1kpk n GLN 207 Cb 0.29 -1.46 0.16 0.00 1.02 0.00 0.00 30.24 30.25 1kpk n GLN 207 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1kpk n PHE 208 N 1.16 0.52 -3.64 1.08 3.01 -1.26 -4.99 117.46 113.34 1kpk n PHE 208 Ca 0.13 -0.59 -0.07 0.00 1.01 0.00 0.00 57.45 57.93 1kpk n PHE 208 Cb 0.58 -0.09 -0.07 0.00 -0.01 0.00 0.00 39.48 39.89 1kpk n PHE 208 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 1kpk s ARG 209 N -1.44 0.45 0.11 -1.08 1.70 -1.26 -5.14 118.95 112.29 1kpk s ARG 209 Ca 0.25 0.59 -0.14 0.00 -0.47 0.00 0.00 55.73 55.96 1kpk s ARG 209 Cb 0.16 0.19 -0.09 0.00 -0.57 0.00 0.00 34.95 34.64 1kpk s ARG 209 CO 0.13 -0.06 0.25 0.98 -1.08 0.00 0.00 175.30 175.51 1kpk n TYR 210 N 2.57 -0.33 -3.47 5.89 9.36 -1.26 -4.93 117.16 124.99 1kpk n TYR 210 Ca -0.14 0.48 -0.23 0.00 3.32 0.00 0.00 57.90 61.34 1kpk n TYR 210 Cb 0.56 -1.00 0.02 0.00 -0.63 0.00 0.00 39.34 38.30 1kpk n TYR 210 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1kpk s THR 211 N -0.55 1.99 -0.08 2.97 2.01 -1.26 -5.05 115.64 115.67 1kpk s THR 211 Ca 0.33 -1.26 0.16 0.00 0.31 0.00 0.00 61.69 61.23 1kpk s THR 211 Cb -0.46 -2.24 0.34 0.00 0.01 0.00 0.00 72.50 70.14 1kpk s THR 211 CO 0.29 0.00 1.15 0.18 -0.69 0.00 0.00 174.62 175.56 1kpk n LEU 212 N -1.95 1.55 -4.76 4.42 4.32 -1.26 -5.05 117.00 114.27 1kpk n LEU 212 Ca 0.06 -2.58 -0.39 0.00 -0.02 0.00 0.00 56.01 53.08 1kpk n LEU 212 Cb 0.63 -0.22 -0.05 0.00 -1.62 0.00 0.00 43.42 42.15 1kpk n LEU 212 CO 0.40 0.77 0.40 -0.63 -1.22 0.00 0.00 177.39 177.11 1kpk s ILE 213 N -1.41 4.75 -0.57 -0.08 1.01 -1.26 -4.50 121.20 119.14 1kpk s ILE 213 Ca 0.29 1.49 -0.18 0.00 0.00 0.00 0.00 60.65 62.25 1kpk s ILE 213 Cb 0.30 -4.05 0.10 0.00 0.01 0.00 0.00 42.46 38.83 1kpk s ILE 213 CO -0.08 0.41 0.66 -0.55 0.00 0.00 0.00 174.94 175.38 1kpk s SER 214 N -0.29 6.19 0.14 3.58 0.15 -1.26 -4.94 113.70 117.26 1kpk s SER 214 Ca 0.35 -1.38 -0.27 0.00 0.70 0.00 0.00 55.95 55.35 1kpk s SER 214 Cb -0.20 -2.29 -0.06 0.00 -1.71 0.00 0.00 66.02 61.76 1kpk s SER 214 CO 0.21 -1.03 1.38 -0.38 1.20 0.00 0.00 173.24 174.62 1kpk n ILE 215 N 5.51 -0.58 -0.05 6.45 5.41 -1.26 0.11 119.36 134.95 1kpk n ILE 215 Ca -0.10 2.17 0.25 0.00 1.00 0.00 0.00 62.75 66.07 1kpk n ILE 215 Cb 0.43 -2.68 0.68 0.00 -0.71 0.00 0.00 39.64 37.35 1kpk n ILE 215 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1kpk h LYS 216 N 0.00 0.00 0.00 0.38 3.64 -1.99 0.86 116.57 119.47 1kpk h LYS 216 Ca 0.14 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.25 1kpk h LYS 216 Cb 0.35 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1kpk h LYS 216 CO -0.81 0.00 -1.05 0.00 -2.27 0.00 0.00 179.45 175.33 1kpk h ALA 217 N 1.27 0.14 0.20 5.00 0.00 0.37 -2.65 119.26 123.59 1kpk h ALA 217 Ca 0.32 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1kpk h ALA 217 Cb 1.69 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1kpk h ALA 217 CO -0.00 0.69 -0.10 0.28 0.00 0.00 0.00 179.25 180.12 1kpk h VAL 218 N 0.39 0.84 -0.33 0.00 2.07 0.13 -2.15 116.25 117.20 1kpk h VAL 218 Ca -0.13 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.25 1kpk h VAL 218 Cb 1.70 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 1kpk h VAL 218 CO 0.20 0.04 -0.33 -0.26 0.02 0.00 0.00 177.57 177.25 1kpk h PHE 219 N -0.35 -1.02 -1.07 1.57 -1.00 -0.88 0.24 116.94 114.43 1kpk h PHE 219 Ca -0.03 0.06 0.29 0.00 2.81 0.00 0.00 57.97 61.09 1kpk h PHE 219 Cb 0.27 0.49 -0.09 0.00 3.61 0.00 0.00 35.95 40.22 1kpk h PHE 219 CO -0.04 -0.26 0.70 0.82 -1.61 0.00 0.00 178.31 177.91 1kpk h ILE 220 N -0.17 0.48 0.67 -0.55 2.04 -1.37 -0.77 117.51 117.84 1kpk h ILE 220 Ca 0.06 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1kpk h ILE 220 Cb 0.31 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1kpk h ILE 220 CO -0.40 0.06 -0.32 1.23 0.00 0.00 0.00 178.15 178.72 1kpk h GLY 221 N 0.34 -0.93 -0.53 5.37 0.00 0.05 -2.78 103.07 104.58 1kpk h GLY 221 Ca 0.61 0.35 0.25 0.00 0.00 0.00 0.00 47.33 48.54 1kpk h GLY 221 CO -0.29 -0.34 0.23 -2.08 0.00 0.00 0.00 176.54 174.06 1kpk h VAL 222 N -1.13 0.27 0.78 4.60 2.07 0.41 -0.71 116.25 122.53 1kpk h VAL 222 Ca -0.09 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1kpk h VAL 222 Cb 0.69 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1kpk h VAL 222 CO 0.15 0.03 -0.37 0.40 0.02 0.00 0.00 177.57 177.80 1kpk h ILE 223 N 0.18 0.16 -0.94 4.57 2.04 -1.26 0.74 117.51 122.99 1kpk h ILE 223 Ca 0.57 -0.12 0.20 0.00 1.00 0.00 0.00 64.86 66.50 1kpk h ILE 223 Cb 1.18 0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 37.36 1kpk h ILE 223 CO -0.69 0.01 0.61 0.24 0.00 0.00 0.00 178.15 178.32 1kpk h MET 224 N -1.15 0.53 0.02 2.37 2.86 -1.07 0.55 114.93 119.03 1kpk h MET 224 Ca -0.11 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1kpk h MET 224 Cb 0.82 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1kpk h MET 224 CO 0.18 0.35 -0.01 1.03 1.06 0.00 0.00 176.91 179.52 1kpk h SER 225 N 0.55 -0.02 -0.69 1.22 0.87 -0.96 -1.79 113.55 112.72 1kpk h SER 225 Ca 0.51 -0.41 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1kpk h SER 225 Cb 1.06 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 1kpk h SER 225 CO -0.24 0.40 0.40 0.74 -0.53 0.00 0.00 176.83 177.60 1kpk h THR 226 N -0.45 1.21 -0.72 2.23 2.02 0.51 -0.77 112.91 116.93 1kpk h THR 226 Ca -0.00 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 1kpk h THR 226 Cb 0.43 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1kpk h THR 226 CO 0.00 0.22 0.21 0.40 0.37 0.00 0.00 175.52 176.72 1kpk h ILE 227 N 0.98 1.26 -0.27 3.11 2.04 0.09 -1.28 117.51 123.44 1kpk h ILE 227 Ca 0.25 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1kpk h ILE 227 Cb -0.00 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1kpk h ILE 227 CO -0.04 0.36 0.17 0.24 0.00 0.00 0.00 178.15 178.88 1kpk h MET 228 N 1.09 0.36 -0.83 2.37 2.86 -0.28 0.81 114.93 121.30 1kpk h MET 228 Ca 0.23 -0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.93 1kpk h MET 228 Cb 0.33 -0.08 -0.07 0.00 0.06 0.00 0.00 31.60 31.85 1kpk h MET 228 CO -0.00 0.27 0.48 -0.92 1.06 0.00 0.00 176.91 177.80 1kpk h TYR 229 N 0.34 0.87 -0.35 -0.22 3.20 -0.66 -1.07 116.97 119.09 1kpk h TYR 229 Ca 0.10 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 1kpk h TYR 229 Cb 0.00 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 1kpk h TYR 229 CO -0.05 0.37 -0.20 0.00 -1.64 0.00 0.00 178.16 176.65 1kpk h ARG 230 N 0.82 0.65 -0.90 1.82 2.47 -0.66 -1.18 114.38 117.39 1kpk h ARG 230 Ca 0.39 -0.24 0.12 0.00 -1.26 0.00 0.00 59.98 58.99 1kpk h ARG 230 Cb 0.34 -0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 28.53 1kpk h ARG 230 CO -0.24 0.81 0.53 0.82 0.56 0.00 0.00 179.97 182.45 1kpk h ILE 231 N 0.58 0.88 0.00 2.04 1.08 0.49 -3.32 117.51 119.25 1kpk h ILE 231 Ca 0.09 -0.29 -0.17 0.00 -0.39 0.00 0.00 64.86 64.10 1kpk h ILE 231 Cb 0.66 -0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 1kpk h ILE 231 CO 0.05 0.15 -1.40 0.49 -0.69 0.00 0.00 178.15 176.75 1kpk n PHE 232 N -4.71 0.29 -2.01 1.37 3.01 -1.09 -4.66 117.46 109.67 1kpk n PHE 232 Ca 0.16 0.13 -0.42 0.00 1.01 0.00 0.00 57.45 58.33 1kpk n PHE 232 Cb 0.34 -0.77 0.00 0.00 -0.01 0.00 0.00 39.48 39.04 1kpk n PHE 232 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1kpk n ASN 233 N -4.42 4.38 -4.77 4.37 3.02 -0.46 -4.96 115.26 112.42 1kpk n ASN 233 Ca -0.27 -2.94 -0.40 0.00 -0.03 0.00 0.00 54.58 50.93 1kpk n ASN 233 Cb 0.60 -1.60 -0.01 0.00 -0.61 0.00 0.00 39.78 38.17 1kpk n ASN 233 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1kpk s HIS 234 N 2.21 2.86 -0.96 3.10 5.65 -1.25 -3.86 115.29 123.04 1kpk s HIS 234 Ca 0.45 1.36 -0.12 0.00 0.25 0.00 0.00 55.06 56.99 1kpk s HIS 234 Cb 0.12 -3.76 0.01 0.00 -1.18 0.00 0.00 32.58 27.77 1kpk s HIS 234 CO -0.05 -2.20 0.67 -1.91 -0.65 0.00 0.00 174.74 170.60 1kpk n GLU 235 N 0.48 -1.16 -3.89 2.88 4.07 -1.26 -4.99 120.64 116.77 1kpk n GLU 235 Ca 0.01 0.64 -0.11 0.00 -0.06 0.00 0.00 57.16 57.65 1kpk n GLU 235 Cb 0.42 -3.14 -0.10 0.00 -0.06 0.00 0.00 31.44 28.56 1kpk n GLU 235 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1kpk s VAL 236 N -3.20 0.09 -0.03 6.31 1.01 -1.25 -5.14 120.40 118.20 1kpk s VAL 236 Ca 0.20 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1kpk s VAL 236 Cb -0.09 -0.48 0.03 0.00 0.00 0.00 0.00 36.38 35.84 1kpk s VAL 236 CO 0.89 -0.42 0.05 0.00 0.00 0.00 0.00 175.10 175.62 1kpk s ALA 237 N -1.56 0.03 0.11 5.51 0.00 -1.26 -5.05 121.76 119.54 1kpk s ALA 237 Ca -0.14 0.36 -0.17 0.00 0.00 0.00 0.00 51.96 52.02 1kpk s ALA 237 Cb -0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1kpk s ALA 237 CO 0.01 -0.15 1.58 -0.07 0.00 0.00 0.00 175.76 177.12 1kpk h LEU 238 N 7.40 0.55 -8.42 0.00 3.38 -1.91 -3.42 115.31 112.89 1kpk h LEU 238 Ca -0.42 -0.28 -0.64 0.00 0.09 0.00 0.00 57.88 56.63 1kpk h LEU 238 Cb 1.12 -0.15 -0.31 0.00 0.09 0.00 0.00 40.66 41.42 1kpk h LEU 238 CO 0.44 0.69 -0.87 -0.63 0.09 0.00 0.00 178.44 178.16 1kpk s ILE 239 N -5.12 1.82 -0.22 1.22 1.01 -1.26 -4.94 121.20 113.70 1kpk s ILE 239 Ca -0.13 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.53 1kpk s ILE 239 Cb 0.09 -1.54 0.08 0.00 0.01 0.00 0.00 42.46 41.10 1kpk s ILE 239 CO 0.76 0.51 0.09 -0.62 0.00 0.00 0.00 174.94 175.69 1kpk s ASP 240 N -0.22 2.95 0.08 3.58 -1.08 -1.26 -4.75 116.67 115.97 1kpk s ASP 240 Ca -0.00 -0.94 0.08 0.00 -0.52 0.00 0.00 52.55 51.17 1kpk s ASP 240 Cb -0.12 -0.39 -0.04 0.00 -1.46 0.00 0.00 42.92 40.91 1kpk s ASP 240 CO 0.02 -0.37 -0.20 -0.69 0.52 0.00 0.00 175.17 174.44 1kpk s VAL 241 N 2.03 2.66 0.00 1.11 1.01 -1.26 -4.91 120.40 121.04 1kpk s VAL 241 Ca 0.04 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.63 1kpk s VAL 241 Cb -0.16 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1kpk s VAL 241 CO -0.19 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1kpk n GLY 242 N 1.25 -1.76 3.49 4.51 0.00 -1.26 -4.95 105.19 106.47 1kpk n GLY 242 Ca -0.16 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 1kpk n GLY 242 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kpk s LYS 243 N 0.00 2.62 0.58 1.61 0.00 -1.26 -4.89 119.74 118.39 1kpk s LYS 243 Ca 0.00 -0.67 0.07 0.00 0.00 0.00 0.00 55.97 55.37 1kpk s LYS 243 Cb 0.00 -2.44 0.07 0.00 0.00 0.00 0.00 37.83 35.46 1kpk s LYS 243 CO 0.00 0.60 0.59 -0.51 0.00 0.00 0.00 175.35 176.03 1kpk s LEU 244 N -0.66 2.80 1.20 2.77 1.02 -1.26 -5.10 118.68 119.46 1kpk s LEU 244 Ca 0.10 -1.13 -0.17 0.00 0.02 0.00 0.00 54.13 52.95 1kpk s LEU 244 Cb -0.11 -1.28 0.23 0.00 0.02 0.00 0.00 46.19 45.05 1kpk s LEU 244 CO 0.01 -1.28 0.52 -1.20 0.02 0.00 0.00 176.35 174.42 1kpk n SER 245 N -2.02 -2.65 -4.83 2.29 7.64 -1.26 -5.00 113.62 107.79 1kpk n SER 245 Ca 0.06 -0.33 -0.23 0.00 1.01 0.00 0.00 58.87 59.38 1kpk n SER 245 Cb 0.63 -1.03 0.07 0.00 -1.01 0.00 0.00 64.21 62.88 1kpk n SER 245 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1kpk s ASP 246 N -2.25 4.78 -0.46 6.43 1.01 -1.26 -4.90 116.67 120.03 1kpk s ASP 246 Ca 0.59 -0.08 0.03 0.00 0.71 0.00 0.00 52.55 53.80 1kpk s ASP 246 Cb -0.15 -0.54 0.13 0.00 1.01 0.00 0.00 42.92 43.36 1kpk s ASP 246 CO 0.60 -1.54 0.22 0.00 0.21 0.00 0.00 175.17 174.66 1kpk s ALA 247 N -3.01 2.80 0.81 5.23 0.00 -1.26 -5.02 121.76 121.32 1kpk s ALA 247 Ca 0.62 -2.88 -0.13 0.00 0.00 0.00 0.00 51.96 49.57 1kpk s ALA 247 Cb -0.08 -2.02 0.09 0.00 0.00 0.00 0.00 23.12 21.10 1kpk s ALA 247 CO 0.42 -1.97 1.20 -1.25 0.00 0.00 0.00 175.76 174.16 1kpk s PRO 248 N 0.17 1.60 0.19 0.00 0.04 -1.26 -4.85 135.00 130.89 1kpk s PRO 248 Ca 0.16 1.73 -0.13 0.00 0.04 0.00 0.00 61.00 62.80 1kpk s PRO 248 Cb -0.24 -1.77 0.20 0.00 0.04 0.00 0.00 34.50 32.72 1kpk s PRO 248 CO -0.02 -2.24 1.71 -0.07 0.04 0.00 0.00 177.00 176.42 1kpk h LEU 249 N -0.98 -0.04 -0.39 -3.56 -0.00 -2.02 -1.21 115.31 107.11 1kpk h LEU 249 Ca -0.46 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 1kpk h LEU 249 Cb 1.29 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 42.09 1kpk h LEU 249 CO 0.46 0.01 0.00 -0.46 -0.00 0.00 0.00 178.44 178.44 1kpk n ASN 250 N -5.14 0.05 0.00 -0.43 0.23 -1.26 -1.50 115.26 107.21 1kpk n ASN 250 Ca 0.06 -0.26 0.00 0.00 -0.53 0.00 0.00 54.58 53.85 1kpk n ASN 250 Cb 0.26 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1kpk n ASN 250 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1kpk n THR 251 N -0.14 0.00 -0.37 5.53 -1.04 -0.46 -4.85 114.28 112.96 1kpk n THR 251 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1kpk n THR 251 Cb 0.01 -0.88 0.07 0.00 -1.82 0.00 0.00 70.33 67.72 1kpk n THR 251 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1kpk n LEU 252 N -1.83 -0.54 -0.31 -4.42 4.77 -0.56 -1.17 117.00 112.92 1kpk n LEU 252 Ca 0.00 1.69 0.16 0.00 -0.03 0.00 0.00 56.01 57.84 1kpk n LEU 252 Cb 0.44 -0.43 0.35 0.00 -2.33 0.00 0.00 43.42 41.45 1kpk n LEU 252 CO 0.00 -1.56 1.04 4.11 -1.33 0.00 0.00 177.39 179.65 1kpk h TRP 253 N 0.00 0.65 -1.04 -1.77 5.08 -1.89 0.48 115.95 117.46 1kpk h TRP 253 Ca 0.38 0.04 0.27 0.00 1.08 0.00 0.00 58.89 60.66 1kpk h TRP 253 Cb 0.62 -0.14 -0.10 0.00 -3.00 0.00 0.00 29.16 26.54 1kpk h TRP 253 CO -0.82 -0.12 0.66 -0.07 -1.28 0.00 0.00 178.44 176.81 1kpk h LEU 254 N 0.34 0.48 -0.77 0.11 3.38 -1.51 0.73 115.31 118.07 1kpk h LEU 254 Ca 0.61 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.67 1kpk h LEU 254 Cb 1.24 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1kpk h LEU 254 CO -0.58 0.09 0.00 1.88 0.09 0.00 0.00 178.44 179.91 1kpk h TYR 255 N 0.42 0.00 0.15 1.13 -1.99 -0.16 -2.42 116.97 114.09 1kpk h TYR 255 Ca 0.61 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.33 1kpk h TYR 255 Cb 1.48 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.21 1kpk h TYR 255 CO -0.00 0.00 -0.07 1.25 -0.00 0.00 0.00 178.16 179.34 1kpk h LEU 256 N 0.00 -0.17 -0.90 3.88 5.85 0.52 -1.54 115.31 122.95 1kpk h LEU 256 Ca 0.00 -0.37 0.14 0.00 0.84 0.00 0.00 57.88 58.49 1kpk h LEU 256 Cb 0.70 0.04 -0.15 0.00 0.37 0.00 0.00 40.66 41.63 1kpk h LEU 256 CO 0.00 0.41 -0.40 0.40 -0.34 0.00 0.00 178.44 178.51 1kpk h ILE 257 N -0.87 0.04 -0.99 4.05 1.08 -1.22 0.76 117.51 120.35 1kpk h ILE 257 Ca -0.02 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.50 1kpk h ILE 257 Cb 0.53 0.04 -0.06 0.00 -3.07 0.00 0.00 36.82 34.25 1kpk h ILE 257 CO 0.03 0.00 0.64 0.25 -0.69 0.00 0.00 178.15 178.38 1kpk h LEU 258 N -0.04 1.05 -0.83 1.44 5.85 -1.45 -1.50 115.31 119.82 1kpk h LEU 258 Ca 0.30 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 1kpk h LEU 258 Cb 0.57 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1kpk h LEU 258 CO -0.91 0.69 0.51 1.23 -0.34 0.00 0.00 178.44 179.62 1kpk h GLY 259 N 1.20 1.19 0.91 3.75 0.00 0.14 -0.74 103.07 109.52 1kpk h GLY 259 Ca 0.41 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.26 1kpk h GLY 259 CO -0.15 0.47 -0.03 -2.22 0.00 0.00 0.00 176.54 174.61 1kpk h ILE 260 N 1.13 0.92 -0.54 2.60 2.04 0.21 0.33 117.51 124.21 1kpk h ILE 260 Ca 0.30 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.20 1kpk h ILE 260 Cb -0.06 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 1kpk h ILE 260 CO -0.06 0.00 0.28 0.40 0.00 0.00 0.00 178.15 178.77 1kpk h ILE 261 N -0.04 0.96 0.00 -0.67 2.04 -0.88 0.45 117.51 119.37 1kpk h ILE 261 Ca 0.02 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1kpk h ILE 261 Cb 0.07 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1kpk h ILE 261 CO -0.04 0.10 -0.15 -0.26 0.00 0.00 0.00 178.15 177.80 1kpk h PHE 262 N 0.54 0.00 0.42 1.37 -1.00 -0.72 -1.88 116.94 115.67 1kpk h PHE 262 Ca 0.24 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.00 1kpk h PHE 262 Cb 0.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.70 1kpk h PHE 262 CO -0.10 0.15 -0.20 0.78 -1.61 0.00 0.00 178.31 177.33 1kpk h GLY 263 N 0.65 -0.58 1.32 -1.45 0.00 0.38 -0.40 103.07 102.98 1kpk h GLY 263 Ca -0.00 0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 1kpk h GLY 263 CO 0.02 -0.21 0.22 0.16 0.00 0.00 0.00 176.54 176.73 1kpk h ILE 264 N -0.89 1.22 -0.12 2.60 3.07 -0.53 -3.02 117.51 119.83 1kpk h ILE 264 Ca -0.06 -0.69 -0.20 0.00 1.55 0.00 0.00 64.86 65.46 1kpk h ILE 264 Cb 0.56 0.52 0.00 0.00 -0.27 0.00 0.00 36.82 37.63 1kpk h ILE 264 CO 0.09 0.27 -0.75 0.15 -1.05 0.00 0.00 178.15 176.87 1kpk h PHE 265 N 0.85 0.81 -0.99 0.16 3.57 -1.38 -3.36 116.94 116.60 1kpk h PHE 265 Ca 0.20 -0.36 0.09 0.00 3.53 0.00 0.00 57.97 61.43 1kpk h PHE 265 Cb 0.19 -0.13 -0.12 0.00 2.79 0.00 0.00 35.95 38.68 1kpk h PHE 265 CO 0.01 1.15 -0.58 0.41 -2.23 0.00 0.00 178.31 177.07 1kpk n GLY 266 N 0.62 -2.58 0.17 2.40 0.00 -0.16 -1.25 105.19 104.39 1kpk n GLY 266 Ca -0.06 1.18 -0.14 0.00 0.00 0.00 0.00 46.02 47.00 1kpk n GLY 266 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kpk h PRO 267 N 0.00 -0.32 -0.72 1.61 0.13 -1.72 -2.61 132.00 128.37 1kpk h PRO 267 Ca 0.16 0.02 0.14 0.00 -0.87 0.00 0.00 66.00 65.45 1kpk h PRO 267 Cb 0.41 0.07 -0.14 0.00 0.13 0.00 0.00 31.00 31.47 1kpk h PRO 267 CO -0.93 -0.21 -0.24 0.82 -0.23 0.00 0.00 178.00 177.21 1kpk h ILE 268 N -0.33 0.21 -0.38 -3.56 2.04 -1.55 0.63 117.51 114.57 1kpk h ILE 268 Ca -0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.90 1kpk h ILE 268 Cb 0.27 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 1kpk h ILE 268 CO 0.03 0.00 0.02 0.15 0.00 0.00 0.00 178.15 178.35 1kpk h PHE 269 N -0.04 0.02 -0.42 1.37 3.57 -0.99 -1.62 116.94 118.82 1kpk h PHE 269 Ca 0.33 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.94 1kpk h PHE 269 Cb 0.55 0.05 -0.09 0.00 2.79 0.00 0.00 35.95 39.26 1kpk h PHE 269 CO -0.62 -0.05 -0.16 -0.91 -2.23 0.00 0.00 178.31 174.33 1kpk h ASN 270 N 0.13 -0.56 -0.76 0.41 -0.26 0.56 0.81 115.58 115.91 1kpk h ASN 270 Ca 0.19 0.15 0.16 0.00 -0.56 0.00 0.00 56.30 56.24 1kpk h ASN 270 Cb 0.25 0.33 -0.11 0.00 -1.06 0.00 0.00 38.32 37.73 1kpk h ASN 270 CO -0.30 -0.20 0.23 0.11 -1.06 0.00 0.00 177.43 176.22 1kpk h LYS 271 N -0.07 0.31 0.65 0.81 1.57 -0.11 0.84 116.57 120.56 1kpk h LYS 271 Ca 0.21 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1kpk h LYS 271 Cb 0.39 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.63 1kpk h LYS 271 CO -0.47 0.20 -0.31 -1.49 -0.57 0.00 0.00 179.45 176.81 1kpk h TRP 272 N 0.32 -0.81 -0.90 -1.35 6.55 -0.45 2.04 115.95 121.35 1kpk h TRP 272 Ca 0.43 -0.02 0.18 0.00 0.95 0.00 0.00 58.89 60.44 1kpk h TRP 272 Cb 0.74 0.27 -0.11 0.00 -0.86 0.00 0.00 29.16 29.20 1kpk h TRP 272 CO -0.23 -0.50 0.47 -0.24 -1.05 0.00 0.00 178.44 176.89 1kpk h VAL 273 N -1.11 0.64 0.00 1.49 3.04 -0.58 0.50 116.25 120.23 1kpk h VAL 273 Ca -0.09 -0.20 -0.03 0.00 -1.01 0.00 0.00 66.70 65.37 1kpk h VAL 273 Cb 0.67 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.95 1kpk h VAL 273 CO 0.15 0.11 -0.10 0.25 -1.01 0.00 0.00 177.57 176.96 1kpk h LEU 274 N 0.59 0.09 -0.23 3.16 5.85 0.75 -3.30 115.31 122.22 1kpk h LEU 274 Ca 0.52 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1kpk h LEU 274 Cb 0.85 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1kpk h LEU 274 CO -0.42 0.87 -0.00 0.61 -0.34 0.00 0.00 178.44 179.16 1kpk n GLY 275 N 1.08 -0.78 0.66 3.75 0.00 0.69 -3.32 105.19 107.27 1kpk n GLY 275 Ca -0.10 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.74 1kpk n GLY 275 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1kpk n MET 276 N -0.74 1.43 -0.10 1.61 0.00 0.17 -3.70 117.12 115.79 1kpk n MET 276 Ca 0.22 -1.56 0.10 0.00 -0.00 0.00 0.00 57.70 56.46 1kpk n MET 276 Cb 0.18 -1.31 0.34 0.00 0.00 0.00 0.00 33.22 32.43 1kpk n MET 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1kpk n GLN 277 N 0.86 1.77 -0.10 2.12 10.64 -1.21 -3.59 117.38 127.87 1kpk n GLN 277 Ca 0.10 -1.16 -0.15 0.00 -1.83 0.00 0.00 57.00 53.96 1kpk n GLN 277 Cb 0.40 -1.38 -0.05 0.00 -0.86 0.00 0.00 30.24 28.35 1kpk n GLN 277 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1kpk n ASP 278 N 0.39 1.92 -0.56 2.61 8.00 -1.25 -3.91 116.55 123.75 1kpk n ASP 278 Ca 0.16 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1kpk n ASP 278 Cb 0.33 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 1kpk n ASP 278 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1kpk n LEU 279 N -4.37 0.39 0.00 0.64 4.77 -1.24 0.63 117.00 117.82 1kpk n LEU 279 Ca -0.26 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1kpk n LEU 279 Cb 0.62 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1kpk n LEU 279 CO 0.15 0.09 -0.11 0.18 -1.33 0.00 0.00 177.39 176.37 1kpk n LEU 280 N 0.40 0.00 0.11 2.23 7.99 -1.24 -4.67 117.00 121.83 1kpk n LEU 280 Ca 0.00 -0.12 0.12 0.00 -0.01 0.00 0.00 56.01 56.00 1kpk n LEU 280 Cb 0.09 0.00 0.11 0.00 -0.11 0.00 0.00 43.42 43.51 1kpk n LEU 280 CO 0.00 0.00 0.32 -0.74 -1.51 0.00 0.00 177.39 175.46 1kpk h HIS 281 N 0.00 0.00 -0.99 -1.77 2.76 0.08 -3.33 115.15 111.90 1kpk h HIS 281 Ca 0.00 0.00 -0.51 0.00 -2.20 0.00 0.00 60.37 57.66 1kpk h HIS 281 Cb 0.00 0.00 -0.19 0.00 1.55 0.00 0.00 27.41 28.77 1kpk h HIS 281 CO 0.00 0.00 0.56 0.54 -1.30 0.00 0.00 177.93 177.73 1kpk n ARG 282 N -2.54 2.30 0.00 5.26 1.74 -1.11 -1.35 116.66 120.96 1kpk n ARG 282 Ca 0.02 -2.39 0.00 0.00 -0.77 0.00 0.00 57.85 54.71 1kpk n ARG 282 Cb 0.50 -2.02 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 1kpk n ARG 282 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1kpk n VAL 283 N 0.28 0.00 -0.28 1.55 0.31 -1.25 -4.88 118.33 114.06 1kpk n VAL 283 Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.79 1kpk n VAL 283 Cb 0.53 0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.84 1kpk n VAL 283 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kpk n HIS 284 N 0.00 0.00 -0.03 3.52 1.44 -1.23 -4.81 115.22 114.11 1kpk n HIS 284 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1kpk n HIS 284 Cb 0.08 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.19 1kpk n HIS 284 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1kpk n GLY 285 N 0.00 0.00 0.00 -1.39 0.00 -0.46 0.28 105.19 103.63 1kpk n GLY 285 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kpk n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kpk n GLY 286 N 0.35 1.19 3.59 -0.02 0.00 -1.26 -5.06 105.19 103.97 1kpk n GLY 286 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1kpk n GLY 286 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kpk n ASN 287 N 0.00 3.18 0.00 1.61 2.85 0.82 -4.79 115.26 118.93 1kpk n ASN 287 Ca 0.00 0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.74 1kpk n ASN 287 Cb 0.00 -1.52 0.00 0.00 1.24 0.00 0.00 39.78 39.50 1kpk n ASN 287 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1kpk n ILE 288 N 7.53 0.39 0.01 -1.44 -0.00 -1.26 -1.49 119.36 123.09 1kpk n ILE 288 Ca 0.31 0.14 0.00 0.00 -0.00 0.00 0.00 62.75 63.19 1kpk n ILE 288 Cb 0.42 -1.14 0.00 0.00 -0.00 0.00 0.00 39.64 38.92 1kpk n ILE 288 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 1kpk n THR 289 N -0.99 0.14 -0.22 1.39 -1.04 -1.26 -4.11 114.28 108.19 1kpk n THR 289 Ca 0.00 0.04 0.27 0.00 -2.04 0.00 0.00 64.05 62.32 1kpk n THR 289 Cb 0.04 -1.48 0.67 0.00 -1.82 0.00 0.00 70.33 67.74 1kpk n THR 289 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1kpk h LYS 290 N 0.00 0.11 0.51 -2.82 1.57 -1.81 0.37 116.57 114.50 1kpk h LYS 290 Ca 0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1kpk h LYS 290 Cb 0.86 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.15 1kpk h LYS 290 CO 0.00 0.07 -0.25 2.35 -0.57 0.00 0.00 179.45 181.06 1kpk h TRP 291 N 0.11 -0.64 -0.54 -1.35 2.91 -1.53 -0.74 115.95 114.19 1kpk h TRP 291 Ca 0.46 -0.02 0.16 0.00 1.13 0.00 0.00 58.89 60.62 1kpk h TRP 291 Cb 1.64 0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 30.48 1kpk h TRP 291 CO -0.00 -0.40 0.57 0.28 -1.03 0.00 0.00 178.44 177.87 1kpk h VAL 292 N -1.10 0.32 0.17 2.65 2.07 -0.91 0.20 116.25 119.65 1kpk h VAL 292 Ca -0.07 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.15 1kpk h VAL 292 Cb 0.53 0.54 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1kpk h VAL 292 CO 0.12 0.00 -1.42 -0.07 0.02 0.00 0.00 177.57 176.21 1kpk h LEU 293 N 0.00 0.57 -1.17 2.57 3.38 -0.36 -2.63 115.31 117.67 1kpk h LEU 293 Ca 0.25 -0.91 0.01 0.00 0.09 0.00 0.00 57.88 57.32 1kpk h LEU 293 Cb 1.40 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1kpk h LEU 293 CO -0.00 1.65 0.56 -0.03 0.09 0.00 0.00 178.44 180.71 1kpk h MET 294 N -0.10 1.12 0.80 1.13 4.05 0.85 -0.99 114.93 121.79 1kpk h MET 294 Ca -0.28 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.03 1kpk h MET 294 Cb 1.93 -0.25 0.01 0.00 -0.80 0.00 0.00 31.60 32.48 1kpk h MET 294 CO 0.16 0.74 -0.38 0.78 0.23 0.00 0.00 176.91 178.43 1kpk h GLY 295 N 1.15 -1.12 0.38 1.39 0.00 -0.96 -2.27 103.07 101.65 1kpk h GLY 295 Ca 0.31 0.42 0.14 0.00 0.00 0.00 0.00 47.33 48.20 1kpk h GLY 295 CO -0.07 -0.41 0.67 -1.33 0.00 0.00 0.00 176.54 175.41 1kpk h GLY 296 N -1.27 0.00 0.25 4.60 0.00 -1.18 0.43 103.07 105.90 1kpk h GLY 296 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1kpk h GLY 296 CO 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.60 1kpk h ALA 297 N 1.12 -0.57 -0.37 3.60 0.00 -0.64 -0.43 119.26 121.96 1kpk h ALA 297 Ca 0.23 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1kpk h ALA 297 Cb 1.58 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1kpk h ALA 297 CO -0.00 -0.55 0.06 -0.84 0.00 0.00 0.00 179.25 177.92 1kpk h ILE 298 N -0.59 1.18 -0.65 0.00 3.07 -0.77 0.15 117.51 119.90 1kpk h ILE 298 Ca -0.03 -0.67 -0.00 0.00 1.55 0.00 0.00 64.86 65.71 1kpk h ILE 298 Cb 0.25 0.84 -0.03 0.00 -0.27 0.00 0.00 36.82 37.61 1kpk h ILE 298 CO 0.06 0.24 0.41 1.23 -1.05 0.00 0.00 178.15 179.03 1kpk h GLY 299 N 0.79 0.94 0.68 0.16 0.00 -0.26 -1.67 103.07 103.71 1kpk h GLY 299 Ca 0.12 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1kpk h GLY 299 CO 0.00 0.37 -0.00 -1.33 0.00 0.00 0.00 176.54 175.58 1kpk h GLY 300 N 0.88 0.04 -0.95 4.60 0.00 -0.22 -2.70 103.07 104.72 1kpk h GLY 300 Ca 0.24 -0.03 0.41 0.00 0.00 0.00 0.00 47.33 47.94 1kpk h GLY 300 CO -0.05 0.03 0.77 -2.00 0.00 0.00 0.00 176.54 175.29 1kpk h LEU 301 N -0.29 0.30 -0.11 3.11 5.85 -0.18 0.57 115.31 124.56 1kpk h LEU 301 Ca 0.01 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1kpk h LEU 301 Cb 0.34 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1kpk h LEU 301 CO 0.00 -0.18 -0.11 0.00 -0.34 0.00 0.00 178.44 177.81 1kpk h GLY 303 N -0.13 0.35 0.46 0.00 0.00 0.33 0.74 103.07 104.84 1kpk h GLY 303 Ca 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1kpk h GLY 303 CO 0.03 0.05 -0.01 -2.00 0.00 0.00 0.00 176.54 174.61 1kpk h LEU 304 N 0.23 -0.01 -2.04 3.11 5.85 -1.13 -2.83 115.31 118.48 1kpk h LEU 304 Ca 0.27 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1kpk h LEU 304 Cb 0.75 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 1kpk h LEU 304 CO -0.05 0.52 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.42 1kpk h LEU 305 N -0.56 0.00 -2.72 2.25 3.38 -0.28 -0.08 115.31 117.30 1kpk h LEU 305 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1kpk h LEU 305 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1kpk h LEU 305 CO 0.00 0.08 -0.01 1.23 0.09 0.00 0.00 178.44 179.84 1kpk h GLY 306 N 0.37 0.00 0.00 0.83 0.00 0.71 -2.91 103.07 102.07 1kpk h GLY 306 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 1kpk h GLY 306 CO 0.01 0.00 -2.02 0.33 0.00 0.00 0.00 176.54 174.86 1kpk n PHE 307 N -3.31 0.00 -3.73 5.60 7.35 -0.13 -4.59 117.46 118.66 1kpk n PHE 307 Ca -0.03 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.29 1kpk n PHE 307 Cb 0.09 -0.71 -0.11 0.00 0.35 0.00 0.00 39.48 39.11 1kpk n PHE 307 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1kpk s VAL 308 N -2.36 3.48 -0.14 -2.13 -7.23 -0.70 -4.72 120.40 106.60 1kpk s VAL 308 Ca -0.17 -2.03 -0.02 0.00 -1.81 0.00 0.00 61.98 57.94 1kpk s VAL 308 Cb 0.05 -3.36 0.00 0.00 0.56 0.00 0.00 36.38 33.64 1kpk s VAL 308 CO 0.49 -0.71 0.16 0.00 -0.31 0.00 0.00 175.10 174.72 1kpk n ALA 309 N 4.62 -2.45 0.35 1.32 0.00 -1.25 -4.53 120.51 118.58 1kpk n ALA 309 Ca -0.03 0.16 0.14 0.00 0.00 0.00 0.00 53.44 53.72 1kpk n ALA 309 Cb 0.41 -0.68 0.52 0.00 0.00 0.00 0.00 19.45 19.70 1kpk n ALA 309 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1kpk h PRO 310 N 0.32 0.00 -0.00 0.00 0.11 -1.78 -3.04 132.00 127.62 1kpk h PRO 310 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1kpk h PRO 310 Cb 0.57 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 1kpk h PRO 310 CO 0.06 0.00 0.01 0.00 -0.21 0.00 0.00 178.00 177.85 1kpk h ALA 311 N 2.15 1.32 0.00 -0.75 0.00 -1.92 -2.53 119.26 117.53 1kpk h ALA 311 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1kpk h ALA 311 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1kpk h ALA 311 CO 0.00 -0.01 -1.27 0.25 0.00 0.00 0.00 179.25 178.22 1kpk n THR 312 N -3.53 0.92 -2.34 0.00 -2.24 -1.15 -4.85 114.28 101.09 1kpk n THR 312 Ca -0.03 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1kpk n THR 312 Cb 0.08 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 1kpk n THR 312 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1kpk n SER 313 N -2.78 0.75 -0.38 3.42 2.88 -0.95 -4.46 113.62 112.10 1kpk n SER 313 Ca -0.06 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.51 1kpk n SER 313 Cb 0.71 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.16 1kpk n SER 313 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1kpk n GLY 314 N 5.00 -2.97 0.00 0.46 0.00 -1.17 -4.28 105.19 102.24 1kpk n GLY 314 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1kpk n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kpk n GLY 315 N -2.20 -0.05 0.00 -0.02 0.00 -1.25 -4.25 105.19 97.41 1kpk n GLY 315 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1kpk n GLY 315 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kpk n GLY 316 N -0.62 1.02 0.00 -0.02 0.00 -1.26 -4.24 105.19 100.06 1kpk n GLY 316 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1kpk n GLY 316 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1kpk n PHE 317 N 0.00 0.00 0.00 1.61 1.16 -1.26 -3.15 117.46 115.82 1kpk n PHE 317 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1kpk n PHE 317 Cb 0.00 -0.19 0.00 0.00 -1.61 0.00 0.00 39.48 37.68 1kpk n PHE 317 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1kpk n ASN 318 N -1.12 0.00 0.00 5.98 3.02 -1.26 -3.12 115.26 118.76 1kpk n ASN 318 Ca 0.00 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1kpk n ASN 318 Cb 0.12 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 1kpk n ASN 318 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1kpk n LEU 319 N -0.78 0.00 0.03 3.41 4.32 -1.22 -5.10 117.00 117.66 1kpk n LEU 319 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.96 1kpk n LEU 319 Cb 0.09 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.87 1kpk n LEU 319 CO 0.00 0.00 0.50 0.40 -1.22 0.00 0.00 177.39 177.07 1kpk h ILE 320 N 0.00 0.00 0.00 -0.08 1.08 -1.49 -1.84 117.51 115.18 1kpk h ILE 320 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1kpk h ILE 320 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 1kpk h ILE 320 CO 0.00 0.00 0.42 -2.65 -0.69 0.00 0.00 178.15 175.23 1kpk n PRO 321 N -2.84 0.03 -0.09 2.37 -0.02 -1.26 -0.71 135.00 132.48 1kpk n PRO 321 Ca -0.02 0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 61.67 1kpk n PRO 321 Cb 0.07 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 1kpk n PRO 321 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1kpk n ILE 322 N -1.51 1.45 0.14 4.25 -0.00 -1.18 -2.65 119.36 119.85 1kpk n ILE 322 Ca -0.00 0.05 0.08 0.00 -0.00 0.00 0.00 62.75 62.88 1kpk n ILE 322 Cb 0.43 -2.17 0.43 0.00 -0.00 0.00 0.00 39.64 38.33 1kpk n ILE 322 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1kpk n ALA 323 N -4.30 0.89 -0.06 -1.39 0.00 0.11 -2.25 120.51 113.51 1kpk n ALA 323 Ca -0.21 0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.30 1kpk n ALA 323 Cb 0.55 -1.09 -0.07 0.00 0.00 0.00 0.00 19.45 18.84 1kpk n ALA 323 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1kpk n THR 324 N -2.07 0.76 0.32 0.00 -2.24 -0.24 -3.22 114.28 107.58 1kpk n THR 324 Ca -0.01 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1kpk n THR 324 Cb 0.12 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 1kpk n THR 324 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kpk n ALA 325 N -2.65 1.50 0.03 6.98 0.00 -0.96 -3.37 120.51 122.06 1kpk n ALA 325 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1kpk n ALA 325 Cb 0.80 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1kpk n ALA 325 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kpk n GLY 326 N 0.09 -0.13 2.67 0.00 0.00 -1.22 -4.29 105.19 102.30 1kpk n GLY 326 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1kpk n GLY 326 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kpk n ASN 327 N -2.72 -2.58 -4.42 1.61 0.23 -1.20 -4.95 115.26 101.23 1kpk n ASN 327 Ca 0.00 -3.11 -0.30 0.00 -0.53 0.00 0.00 54.58 50.64 1kpk n ASN 327 Cb 0.00 1.43 -0.13 0.00 -2.08 0.00 0.00 39.78 39.00 1kpk n ASN 327 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1kpk s PHE 328 N 0.50 2.43 0.43 -2.53 0.08 -1.26 -4.94 117.98 112.68 1kpk s PHE 328 Ca 0.32 -0.33 -0.25 0.00 0.12 0.00 0.00 56.93 56.79 1kpk s PHE 328 Cb 0.16 -1.36 -0.08 0.00 -0.57 0.00 0.00 43.02 41.17 1kpk s PHE 328 CO -0.19 0.28 1.28 -1.54 -0.10 0.00 0.00 175.22 174.96 1kpk s SER 329 N -1.73 6.16 0.23 1.36 1.04 -1.26 -4.80 113.70 114.69 1kpk s SER 329 Ca 0.15 2.60 -0.15 0.00 0.48 0.00 0.00 55.95 59.03 1kpk s SER 329 Cb -0.10 -2.63 0.27 0.00 0.10 0.00 0.00 66.02 63.66 1kpk s SER 329 CO 0.06 -0.95 1.57 -0.03 0.98 0.00 0.00 173.24 174.87 1kpk h MET 330 N 2.42 -0.03 0.13 4.02 4.05 -1.99 -0.26 114.93 123.26 1kpk h MET 330 Ca -0.50 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 1kpk h MET 330 Cb 1.25 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.05 1kpk h MET 330 CO 0.61 -0.02 -0.12 0.78 0.23 0.00 0.00 176.91 178.39 1kpk h GLY 331 N -0.03 -0.26 -0.18 1.39 0.00 -2.00 -2.25 103.07 99.74 1kpk h GLY 331 Ca 0.35 0.14 0.20 0.00 0.00 0.00 0.00 47.33 48.02 1kpk h GLY 331 CO -0.91 -0.13 0.30 1.98 0.00 0.00 0.00 176.54 177.78 1kpk h MET 332 N -0.27 0.33 0.25 4.80 -1.53 -1.45 0.31 114.93 117.37 1kpk h MET 332 Ca 0.00 -0.02 0.01 0.00 -3.44 0.00 0.00 59.70 56.25 1kpk h MET 332 Cb 0.26 -0.07 -0.04 0.00 -0.55 0.00 0.00 31.60 31.20 1kpk h MET 332 CO -0.03 0.22 -0.42 -0.07 0.14 0.00 0.00 176.91 176.75 1kpk h LEU 333 N 0.34 -1.19 -0.63 3.39 3.38 -0.68 0.17 115.31 120.09 1kpk h LEU 333 Ca 0.51 0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.73 1kpk h LEU 333 Cb 0.94 0.43 -0.11 0.00 0.09 0.00 0.00 40.66 42.01 1kpk h LEU 333 CO -0.54 -0.52 -0.01 0.58 0.09 0.00 0.00 178.44 178.04 1kpk h VAL 334 N -0.74 0.47 0.11 1.22 2.07 -0.11 0.52 116.25 119.80 1kpk h VAL 334 Ca -0.01 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1kpk h VAL 334 Cb 0.71 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1kpk h VAL 334 CO -0.16 0.02 -0.13 0.15 0.02 0.00 0.00 177.57 177.46 1kpk h PHE 335 N 0.11 -0.38 -0.94 1.57 -0.00 -0.05 -1.86 116.94 115.39 1kpk h PHE 335 Ca 0.33 0.00 0.28 0.00 -0.00 0.00 0.00 57.97 58.58 1kpk h PHE 335 Cb 0.54 0.15 -0.16 0.00 -0.00 0.00 0.00 35.95 36.47 1kpk h PHE 335 CO -0.38 -0.17 0.21 0.82 -0.00 0.00 0.00 178.31 178.79 1kpk h ILE 336 N -0.25 0.16 0.70 1.41 2.04 0.10 0.32 117.51 121.99 1kpk h ILE 336 Ca -0.01 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1kpk h ILE 336 Cb 0.22 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1kpk h ILE 336 CO -0.03 0.02 -0.48 0.15 0.00 0.00 0.00 178.15 177.81 1kpk h PHE 337 N 0.10 -1.30 0.15 1.37 3.57 0.36 -0.88 116.94 120.31 1kpk h PHE 337 Ca 0.62 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 62.10 1kpk h PHE 337 Cb 1.33 0.48 -0.00 0.00 2.79 0.00 0.00 35.95 40.55 1kpk h PHE 337 CO -0.31 -0.70 -0.08 0.28 -2.23 0.00 0.00 178.31 175.26 1kpk h VAL 338 N -1.13 0.82 -0.64 1.41 2.07 -0.36 0.17 116.25 118.60 1kpk h VAL 338 Ca -0.09 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.55 1kpk h VAL 338 Cb 0.92 0.82 -0.12 0.00 -1.52 0.00 0.00 31.29 31.39 1kpk h VAL 338 CO 0.06 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.41 1kpk h ALA 339 N 0.63 0.25 -0.20 1.67 0.00 -0.39 -0.78 119.26 120.44 1kpk h ALA 339 Ca -0.02 0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 1kpk h ALA 339 Cb 0.18 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1kpk h ALA 339 CO 0.02 -0.52 -0.54 0.00 0.00 0.00 0.00 179.25 178.21 1kpk h ARG 340 N -0.07 0.60 -0.91 0.00 3.08 -0.88 -2.63 114.38 113.56 1kpk h ARG 340 Ca 0.29 -0.37 0.22 0.00 0.07 0.00 0.00 59.98 60.19 1kpk h ARG 340 Cb 0.52 0.04 -0.12 0.00 0.08 0.00 0.00 29.97 30.49 1kpk h ARG 340 CO -0.69 0.98 0.43 0.28 -1.07 0.00 0.00 179.97 179.90 1kpk h VAL 341 N 0.46 0.50 0.00 2.04 2.07 0.80 0.27 116.25 122.39 1kpk h VAL 341 Ca 0.01 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1kpk h VAL 341 Cb 1.09 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1kpk h VAL 341 CO 0.10 0.08 0.00 -0.38 0.02 0.00 0.00 177.57 177.40 1kpk n ILE 342 N -5.01 0.00 -0.27 4.57 5.41 -0.84 -2.94 119.36 120.28 1kpk n ILE 342 Ca 0.23 0.41 0.24 0.00 1.00 0.00 0.00 62.75 64.63 1kpk n ILE 342 Cb 0.66 -0.83 0.42 0.00 -0.71 0.00 0.00 39.64 39.18 1kpk n ILE 342 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1kpk n THR 343 N -0.48 -0.20 0.33 1.39 -2.24 -1.01 0.75 114.28 112.81 1kpk n THR 343 Ca 0.00 1.23 -0.16 0.00 -2.27 0.00 0.00 64.05 62.85 1kpk n THR 343 Cb 0.00 -2.01 -0.08 0.00 -2.10 0.00 0.00 70.33 66.14 1kpk n THR 343 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1kpk h THR 344 N 0.00 0.32 0.57 4.28 2.02 -0.56 -1.97 112.91 117.56 1kpk h THR 344 Ca 0.57 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.50 1kpk h THR 344 Cb 1.71 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1kpk h THR 344 CO -0.38 0.03 -0.48 -0.07 0.37 0.00 0.00 175.52 175.00 1kpk h LEU 345 N -0.99 -1.27 -0.85 2.58 3.38 0.45 -1.58 115.31 117.03 1kpk h LEU 345 Ca -0.08 0.09 0.22 0.00 0.09 0.00 0.00 57.88 58.20 1kpk h LEU 345 Cb 0.68 0.40 -0.16 0.00 0.09 0.00 0.00 40.66 41.67 1kpk h LEU 345 CO 0.14 -0.66 -0.03 -0.11 0.09 0.00 0.00 178.44 177.87 1kpk n LEU 346 N -5.36 -0.14 0.10 1.67 7.94 -0.30 0.74 117.00 121.65 1kpk n LEU 346 Ca -0.12 1.46 -0.23 0.00 -1.11 0.00 0.00 56.01 56.01 1kpk n LEU 346 Cb 0.45 -0.51 -0.13 0.00 0.53 0.00 0.00 43.42 43.75 1kpk n LEU 346 CO 0.27 -1.46 -0.09 0.00 -1.11 0.00 0.00 177.39 175.00 1kpk h PHE 348 N 0.26 -0.34 -0.91 0.00 3.57 0.08 -3.31 116.94 116.28 1kpk h PHE 348 Ca -0.20 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.49 1kpk h PHE 348 Cb 1.95 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 40.73 1kpk h PHE 348 CO 0.12 -0.08 0.60 0.77 -2.23 0.00 0.00 178.31 177.49 1kpk h SER 349 N -1.03 0.50 -0.41 0.41 0.02 0.15 -0.20 113.55 112.98 1kpk h SER 349 Ca -0.04 0.05 0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1kpk h SER 349 Cb 0.42 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.83 1kpk h SER 349 CO 0.06 0.20 -0.15 0.77 -1.14 0.00 0.00 176.83 176.57 1kpk h SER 350 N 0.50 -0.54 0.00 3.07 4.64 -1.61 -3.42 113.55 116.20 1kpk h SER 350 Ca 0.48 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 1kpk h SER 350 Cb 1.07 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1kpk h SER 350 CO -0.21 -0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.17 1kpk n GLY 351 N -1.35 1.79 3.85 -0.77 0.00 -0.09 -5.02 105.19 103.60 1kpk n GLY 351 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1kpk n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kpk s ALA 352 N -1.79 3.21 0.19 4.61 0.00 -1.25 -2.78 121.76 123.95 1kpk s ALA 352 Ca 0.00 0.09 -0.32 0.00 0.00 0.00 0.00 51.96 51.73 1kpk s ALA 352 Cb 0.00 -2.91 -0.12 0.00 0.00 0.00 0.00 23.12 20.09 1kpk s ALA 352 CO 0.00 0.10 1.71 -0.35 0.00 0.00 0.00 175.76 177.21 1kpk n PRO 353 N -0.88 2.64 0.00 0.00 -0.04 -1.26 -2.74 135.00 132.72 1kpk n PRO 353 Ca 0.05 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 1kpk n PRO 353 Cb 0.54 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 1kpk n PRO 353 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kpk n GLY 354 N 3.88 4.55 4.01 0.55 0.00 -0.83 -4.64 105.19 112.72 1kpk n GLY 354 Ca 0.16 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 1kpk n GLY 354 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kpk s GLY 355 N 0.00 1.79 -0.03 -0.02 0.00 -0.69 -4.07 107.32 104.30 1kpk s GLY 355 Ca 0.00 -1.82 0.18 0.00 0.00 0.00 0.00 44.72 43.08 1kpk s GLY 355 CO 0.00 -1.40 1.47 0.29 0.00 0.00 0.00 173.10 173.46 1kpk n ILE 356 N -2.37 1.21 0.46 0.90 -5.35 -1.26 0.51 119.36 113.47 1kpk n ILE 356 Ca 0.13 -1.08 -0.18 0.00 -0.27 0.00 0.00 62.75 61.35 1kpk n ILE 356 Cb 0.61 0.40 -0.09 0.00 -1.74 0.00 0.00 39.64 38.82 1kpk n ILE 356 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 1kpk h PHE 357 N 3.50 -1.09 0.41 4.28 3.57 -1.95 -2.15 116.94 123.51 1kpk h PHE 357 Ca 0.00 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1kpk h PHE 357 Cb 1.02 0.36 -0.02 0.00 2.79 0.00 0.00 35.95 40.11 1kpk h PHE 357 CO 0.47 -0.68 -0.42 0.00 -2.23 0.00 0.00 178.31 175.46 1kpk h ALA 358 N -1.43 -1.08 0.00 2.41 0.00 -1.92 -2.48 119.26 114.76 1kpk h ALA 358 Ca -0.12 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1kpk h ALA 358 Cb 0.90 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1kpk h ALA 358 CO 0.20 -1.11 0.37 -1.00 0.00 0.00 0.00 179.25 177.71 1kpk h PRO 359 N -0.82 0.00 0.00 0.00 0.13 -1.74 1.30 132.00 130.87 1kpk h PRO 359 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1kpk h PRO 359 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1kpk h PRO 359 CO -0.05 0.00 -0.25 -1.33 -0.23 0.00 0.00 178.00 176.14 1kpk n MET 360 N -2.56 0.22 -0.03 0.86 2.81 -0.81 -2.26 117.12 115.35 1kpk n MET 360 Ca -0.01 0.13 -0.16 0.00 -1.81 0.00 0.00 57.70 55.85 1kpk n MET 360 Cb 0.40 -1.70 -0.13 0.00 -0.71 0.00 0.00 33.22 31.09 1kpk n MET 360 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1kpk h LEU 361 N 0.00 0.19 0.51 4.03 3.38 0.18 -2.74 115.31 120.86 1kpk h LEU 361 Ca 0.00 -0.88 -0.02 0.00 0.09 0.00 0.00 57.88 57.07 1kpk h LEU 361 Cb 0.69 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1kpk h LEU 361 CO 0.00 1.05 -0.45 0.00 0.09 0.00 0.00 178.44 179.13 1kpk h ALA 362 N 0.14 -1.14 -0.77 1.53 0.00 -1.47 0.85 119.26 118.40 1kpk h ALA 362 Ca -0.04 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.86 1kpk h ALA 362 Cb 1.12 0.66 -0.13 0.00 0.00 0.00 0.00 17.79 19.44 1kpk h ALA 362 CO 0.05 -1.16 0.04 -0.07 0.00 0.00 0.00 179.25 178.12 1kpk h LEU 363 N -0.95 -0.29 -0.38 0.00 3.38 -1.59 0.23 115.31 115.73 1kpk h LEU 363 Ca -0.07 0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1kpk h LEU 363 Cb 0.81 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1kpk h LEU 363 CO -0.03 -0.17 0.21 1.23 0.09 0.00 0.00 178.44 179.78 1kpk h GLY 364 N 0.12 0.52 1.00 0.83 0.00 -1.10 0.25 103.07 104.69 1kpk h GLY 364 Ca 0.43 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.61 1kpk h GLY 364 CO -0.65 0.13 0.46 -0.84 0.00 0.00 0.00 176.54 175.64 1kpk h THR 365 N 0.43 1.17 -0.34 4.70 2.02 0.18 0.54 112.91 121.61 1kpk h THR 365 Ca 0.15 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 1kpk h THR 365 Cb 0.03 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 1kpk h THR 365 CO -0.08 0.17 0.01 0.58 0.37 0.00 0.00 175.52 176.57 1kpk h VAL 366 N 0.94 1.25 -0.37 3.16 2.07 -0.47 0.45 116.25 123.30 1kpk h VAL 366 Ca 0.26 -0.94 -0.12 0.00 0.82 0.00 0.00 66.70 66.72 1kpk h VAL 366 Cb -0.10 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1kpk h VAL 366 CO -0.06 0.31 -0.25 0.25 0.02 0.00 0.00 177.57 177.84 1kpk h LEU 367 N 0.41 0.76 -0.50 2.57 5.85 -0.63 -1.47 115.31 122.30 1kpk h LEU 367 Ca 0.10 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.46 1kpk h LEU 367 Cb 0.43 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1kpk h LEU 367 CO 0.02 0.98 0.03 1.23 -0.34 0.00 0.00 178.44 180.36 1kpk h GLY 368 N 0.97 0.94 0.91 3.75 0.00 0.22 -1.94 103.07 107.91 1kpk h GLY 368 Ca 0.09 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 1kpk h GLY 368 CO 0.06 0.61 -0.25 -0.84 0.00 0.00 0.00 176.54 176.13 1kpk h THR 369 N 0.74 0.48 -0.75 4.70 2.02 -0.71 -1.77 112.91 117.62 1kpk h THR 369 Ca 0.15 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.50 1kpk h THR 369 Cb 0.47 0.48 -0.12 0.00 -1.74 0.00 0.00 68.15 67.24 1kpk h THR 369 CO 0.02 0.00 0.09 0.00 0.37 0.00 0.00 175.52 176.00 1kpk h ALA 370 N -0.09 0.88 -0.00 6.16 0.00 -1.18 0.33 119.26 125.36 1kpk h ALA 370 Ca -0.05 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1kpk h ALA 370 Cb 0.52 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1kpk h ALA 370 CO 0.06 -0.40 -0.08 0.35 0.00 0.00 0.00 179.25 179.17 1kpk h PHE 371 N 0.17 -0.21 0.30 0.00 3.57 -0.97 -2.48 116.94 117.32 1kpk h PHE 371 Ca 0.42 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.93 1kpk h PHE 371 Cb 0.75 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 1kpk h PHE 371 CO -0.34 -0.13 -0.43 0.78 -2.23 0.00 0.00 178.31 175.96 1kpk h GLY 372 N -0.14 -0.97 -0.43 2.40 0.00 -0.11 -0.65 103.07 103.17 1kpk h GLY 372 Ca 0.03 0.51 0.07 0.00 0.00 0.00 0.00 47.33 47.94 1kpk h GLY 372 CO -0.09 -0.31 -0.15 1.03 0.00 0.00 0.00 176.54 177.03 1kpk n MET 373 N -5.50 -0.08 0.23 4.80 2.81 0.95 0.35 117.12 120.69 1kpk n MET 373 Ca -0.09 0.66 -0.13 0.00 -1.81 0.00 0.00 57.70 56.33 1kpk n MET 373 Cb 0.40 -0.99 -0.07 0.00 -0.71 0.00 0.00 33.22 31.86 1kpk n MET 373 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1kpk h VAL 374 N 0.00 0.32 -0.82 2.03 2.07 -1.00 -3.20 116.25 115.65 1kpk h VAL 374 Ca 0.17 -0.52 0.19 0.00 0.82 0.00 0.00 66.70 67.35 1kpk h VAL 374 Cb 0.27 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1kpk h VAL 374 CO -0.43 0.06 0.55 0.00 0.02 0.00 0.00 177.57 177.77 1kpk h ALA 375 N -0.77 2.28 -0.40 1.67 0.00 0.14 -1.88 119.26 120.29 1kpk h ALA 375 Ca -0.06 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1kpk h ALA 375 Cb 0.58 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1kpk h ALA 375 CO 0.11 -0.52 0.14 0.28 0.00 0.00 0.00 179.25 179.25 1kpk h VAL 376 N 0.33 0.88 -0.00 0.00 2.07 -0.10 -2.55 116.25 116.88 1kpk h VAL 376 Ca 0.41 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.83 1kpk h VAL 376 Cb 1.12 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1kpk h VAL 376 CO -0.12 0.06 -0.42 -1.84 0.02 0.00 0.00 177.57 175.26 1kpk n GLU 377 N -5.01 0.14 -0.02 1.57 0.28 -0.76 -3.93 120.64 112.91 1kpk n GLU 377 Ca 0.02 -0.08 -0.08 0.00 -0.16 0.00 0.00 57.16 56.87 1kpk n GLU 377 Cb 0.15 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.39 1kpk n GLU 377 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1kpk n LEU 378 N -1.36 0.87 -3.41 -1.84 4.77 -0.90 -4.50 117.00 110.63 1kpk n LEU 378 Ca 0.07 0.41 -0.26 0.00 -0.03 0.00 0.00 56.01 56.20 1kpk n LEU 378 Cb 0.34 0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 1kpk n LEU 378 CO 0.33 0.36 -0.08 0.49 -1.33 0.00 0.00 177.39 177.17 1kpk n PHE 379 N -3.03 2.06 0.81 -1.77 3.01 -0.98 -4.85 117.46 112.71 1kpk n PHE 379 Ca -0.16 -3.94 0.08 0.00 1.01 0.00 0.00 57.45 54.44 1kpk n PHE 379 Cb 1.03 -0.44 0.42 0.00 -0.01 0.00 0.00 39.48 40.48 1kpk n PHE 379 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1kpk n PRO 380 N 1.31 0.29 0.00 -1.08 -0.04 -1.25 -0.99 135.00 133.24 1kpk n PRO 380 Ca 0.26 0.10 0.14 0.00 -0.04 0.00 0.00 63.50 63.96 1kpk n PRO 380 Cb 0.44 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.00 1kpk n PRO 380 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kpk n GLN 381 N -1.22 0.01 -0.01 0.54 10.64 -1.26 -3.59 117.38 122.50 1kpk n GLN 381 Ca 0.09 0.01 0.10 0.00 -1.83 0.00 0.00 57.00 55.36 1kpk n GLN 381 Cb 0.11 -1.51 -0.14 0.00 -0.86 0.00 0.00 30.24 27.83 1kpk n GLN 381 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1kpk n TYR 382 N -1.54 0.00 -3.31 2.61 0.53 -0.17 -5.04 117.16 110.24 1kpk n TYR 382 Ca 0.07 0.00 -0.10 0.00 -1.02 0.00 0.00 57.90 56.85 1kpk n TYR 382 Cb 0.34 -0.35 0.01 0.00 -1.03 0.00 0.00 39.34 38.32 1kpk n TYR 382 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 1kpk n HIS 383 N -2.02 -2.62 -3.95 -0.72 8.25 -1.24 -4.98 115.22 107.95 1kpk n HIS 383 Ca -0.02 0.98 -0.27 0.00 -0.26 0.00 0.00 57.72 58.15 1kpk n HIS 383 Cb 0.47 -3.73 -0.03 0.00 1.12 0.00 0.00 29.99 27.82 1kpk n HIS 383 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1kpk s LEU 384 N -4.58 4.30 -0.15 2.41 1.43 -1.26 -5.06 118.68 115.77 1kpk s LEU 384 Ca 0.08 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 1kpk s LEU 384 Cb -0.02 -2.88 0.01 0.00 0.03 0.00 0.00 46.19 43.33 1kpk s LEU 384 CO 0.80 0.08 -0.20 -0.70 0.23 0.00 0.00 176.35 176.55 1kpk s GLU 385 N -3.07 3.06 0.28 1.70 2.12 -1.26 -4.90 118.70 116.63 1kpk s GLU 385 Ca 0.34 -0.82 0.02 0.00 0.36 0.00 0.00 54.97 54.87 1kpk s GLU 385 Cb -0.11 -2.51 0.62 0.00 0.26 0.00 0.00 34.13 32.39 1kpk s GLU 385 CO 0.28 -0.05 1.78 0.00 -0.54 0.00 0.00 175.26 176.73 1kpk h ALA 386 N 7.46 1.49 -0.93 6.30 0.00 -1.92 -3.07 119.26 128.61 1kpk h ALA 386 Ca -0.35 0.07 0.13 0.00 0.00 0.00 0.00 54.91 54.76 1kpk h ALA 386 Cb 1.18 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 1kpk h ALA 386 CO 0.58 -0.00 -0.40 0.41 0.00 0.00 0.00 179.25 179.83 1kpk n GLY 387 N -1.33 -2.01 0.38 0.00 0.00 -1.26 0.04 105.19 101.01 1kpk n GLY 387 Ca 0.20 1.05 0.21 0.00 0.00 0.00 0.00 46.02 47.48 1kpk n GLY 387 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1kpk h THR 388 N 0.00 0.50 0.00 2.61 1.35 -1.87 1.16 112.91 116.66 1kpk h THR 388 Ca 0.29 -0.16 -0.02 0.00 -0.55 0.00 0.00 66.41 65.97 1kpk h THR 388 Cb 0.52 -0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.93 1kpk h THR 388 CO -0.91 0.08 -0.10 -0.26 -0.25 0.00 0.00 175.52 174.08 1kpk h PHE 389 N 0.46 0.00 -0.04 4.73 -1.00 -0.56 0.32 116.94 120.86 1kpk h PHE 389 Ca 0.64 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 61.33 1kpk h PHE 389 Cb 1.44 0.00 0.01 0.00 3.61 0.00 0.00 35.95 41.00 1kpk h PHE 389 CO -0.00 0.10 -0.31 0.00 -1.61 0.00 0.00 178.31 176.49 1kpk h ALA 390 N 1.90 0.09 -0.48 2.45 0.00 0.17 -2.54 119.26 120.84 1kpk h ALA 390 Ca -0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1kpk h ALA 390 Cb 0.74 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1kpk h ALA 390 CO 0.01 0.15 -0.09 0.82 0.00 0.00 0.00 179.25 180.14 1kpk h ILE 391 N -0.29 1.26 -0.11 0.00 5.03 -0.86 -1.65 117.51 120.90 1kpk h ILE 391 Ca -0.03 -1.19 0.02 0.00 -0.12 0.00 0.00 64.86 63.55 1kpk h ILE 391 Cb 1.00 0.99 -0.02 0.00 -3.03 0.00 0.00 36.82 35.75 1kpk h ILE 391 CO 0.06 0.41 -0.03 0.00 -0.68 0.00 0.00 178.15 177.91 1kpk h ALA 392 N 1.10 0.06 -0.28 1.87 0.00 -0.96 -2.08 119.26 118.96 1kpk h ALA 392 Ca 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1kpk h ALA 392 Cb 0.60 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1kpk h ALA 392 CO 0.04 -0.49 0.04 0.41 0.00 0.00 0.00 179.25 179.24 1kpk n GLY 393 N -1.16 2.29 0.08 0.00 0.00 -0.96 -4.27 105.19 101.17 1kpk n GLY 393 Ca -0.04 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 1kpk n GLY 393 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1kpk h MET 394 N 1.62 0.11 -0.60 1.61 -1.53 -0.56 -3.20 114.93 112.39 1kpk h MET 394 Ca 0.04 -0.08 0.00 0.00 -3.44 0.00 0.00 59.70 56.22 1kpk h MET 394 Cb 1.25 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 32.31 1kpk h MET 394 CO 0.26 0.70 0.00 0.41 0.14 0.00 0.00 176.91 178.42 1kpk n GLY 395 N 0.58 2.93 0.21 1.39 0.00 -1.26 -4.30 105.19 104.75 1kpk n GLY 395 Ca -0.08 -0.89 0.08 0.00 0.00 0.00 0.00 46.02 45.12 1kpk n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kpk h ALA 396 N 3.91 1.07 -0.03 4.61 0.00 -1.74 -1.95 119.26 125.14 1kpk h ALA 396 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1kpk h ALA 396 Cb 1.67 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.42 1kpk h ALA 396 CO 0.34 0.36 -0.35 1.25 0.00 0.00 0.00 179.25 180.84 1kpk h LEU 397 N 0.00 0.36 -0.63 0.00 7.12 -1.78 -2.25 115.31 118.14 1kpk h LEU 397 Ca -0.00 -0.71 0.12 0.00 0.13 0.00 0.00 57.88 57.41 1kpk h LEU 397 Cb 0.75 -0.11 -0.09 0.00 -0.53 0.00 0.00 40.66 40.68 1kpk h LEU 397 CO 0.04 1.02 0.14 -0.07 -0.13 0.00 0.00 178.44 179.44 1kpk h LEU 398 N -0.27 0.01 -1.43 2.25 3.38 -1.74 0.41 115.31 117.92 1kpk h LEU 398 Ca -0.04 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1kpk h LEU 398 Cb 1.05 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1kpk h LEU 398 CO 0.07 0.01 0.42 0.00 0.09 0.00 0.00 178.44 179.03 1kpk h ALA 399 N 1.50 1.69 0.00 1.53 0.00 -1.26 -0.25 119.26 122.47 1kpk h ALA 399 Ca 0.33 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.99 1kpk h ALA 399 Cb 0.51 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1kpk h ALA 399 CO -0.42 0.24 -1.73 0.00 0.00 0.00 0.00 179.25 177.34 1kpk n ALA 400 N -2.46 1.80 -0.01 0.00 0.00 -0.41 -3.66 120.51 115.77 1kpk n ALA 400 Ca 0.08 -0.75 -0.00 0.00 0.00 0.00 0.00 53.44 52.76 1kpk n ALA 400 Cb 0.16 -0.76 -0.00 0.00 0.00 0.00 0.00 19.45 18.84 1kpk n ALA 400 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1kpk n SER 401 N -2.85 0.16 -0.11 0.00 2.88 0.13 -4.16 113.62 109.67 1kpk n SER 401 Ca -0.16 0.25 0.15 0.00 -1.33 0.00 0.00 58.87 57.78 1kpk n SER 401 Cb 0.94 -0.53 0.81 0.00 -0.75 0.00 0.00 64.21 64.68 1kpk n SER 401 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1kpk n ILE 402 N -2.49 0.00 -4.10 2.46 -5.35 -0.51 -1.89 119.36 107.48 1kpk n ILE 402 Ca -0.01 -0.06 -0.48 0.00 -0.27 0.00 0.00 62.75 61.94 1kpk n ILE 402 Cb 0.03 -0.25 0.02 0.00 -1.74 0.00 0.00 39.64 37.69 1kpk n ILE 402 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1kpk n ARG 403 N -0.78 -0.19 -3.21 6.28 1.74 -0.22 -4.47 116.66 115.82 1kpk n ARG 403 Ca 0.21 0.05 -0.24 0.00 -0.77 0.00 0.00 57.85 57.11 1kpk n ARG 403 Cb 0.19 -2.45 -0.07 0.00 -1.02 0.00 0.00 32.46 29.12 1kpk n ARG 403 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kpk n ALA 404 N -5.11 2.56 -0.01 7.54 0.00 -1.25 -4.98 120.51 119.25 1kpk n ALA 404 Ca -0.11 -3.54 -0.13 0.00 0.00 0.00 0.00 53.44 49.66 1kpk n ALA 404 Cb 0.56 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 19.11 1kpk n ALA 404 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1kpk h PRO 405 N 3.90 -0.49 -0.65 0.00 0.11 -1.86 -2.08 132.00 130.93 1kpk h PRO 405 Ca 0.09 0.03 0.14 0.00 0.11 0.00 0.00 66.00 66.37 1kpk h PRO 405 Cb 0.87 0.11 -0.11 0.00 0.11 0.00 0.00 31.00 31.98 1kpk h PRO 405 CO 0.50 -0.33 0.04 1.25 -0.21 0.00 0.00 178.00 179.26 1kpk h LEU 406 N -0.51 -0.21 -1.19 2.35 5.85 -1.96 0.64 115.31 120.29 1kpk h LEU 406 Ca 0.07 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 1kpk h LEU 406 Cb 0.65 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1kpk h LEU 406 CO -0.43 -0.10 0.00 0.74 -0.34 0.00 0.00 178.44 178.32 1kpk h THR 407 N 0.15 1.20 0.48 1.05 2.02 -1.75 -0.96 112.91 115.10 1kpk h THR 407 Ca 0.35 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 1kpk h THR 407 Cb 0.57 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1kpk h THR 407 CO -0.53 0.28 -0.23 1.23 0.37 0.00 0.00 175.52 176.64 1kpk h GLY 408 N 0.86 -0.67 0.04 2.16 0.00 0.48 -1.26 103.07 104.68 1kpk h GLY 408 Ca 0.12 0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.74 1kpk h GLY 408 CO 0.01 -0.24 -0.39 -2.22 0.00 0.00 0.00 176.54 173.70 1kpk h ILE 409 N -1.02 0.19 -0.94 2.60 1.08 0.15 -0.40 117.51 119.17 1kpk h ILE 409 Ca -0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.40 1kpk h ILE 409 Cb 0.58 0.19 -0.05 0.00 -3.07 0.00 0.00 36.82 34.48 1kpk h ILE 409 CO 0.11 0.00 0.57 0.40 -0.69 0.00 0.00 178.15 178.53 1kpk h ILE 410 N -0.45 1.26 -0.63 -0.67 5.03 -1.27 -2.21 117.51 118.57 1kpk h ILE 410 Ca 0.09 -0.57 0.03 0.00 -0.12 0.00 0.00 64.86 64.29 1kpk h ILE 410 Cb 0.60 -0.07 -0.04 0.00 -3.03 0.00 0.00 36.82 34.28 1kpk h ILE 410 CO -0.40 0.27 0.38 0.25 -0.68 0.00 0.00 178.15 177.98 1kpk h LEU 411 N 1.30 0.62 0.00 1.44 5.85 -0.15 0.37 115.31 124.73 1kpk h LEU 411 Ca 0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1kpk h LEU 411 Cb -0.05 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1kpk h LEU 411 CO -0.06 0.43 0.00 0.52 -0.34 0.00 0.00 178.44 178.99 1kpk n VAL 412 N -4.73 0.00 -0.26 1.05 0.31 -0.26 -2.48 118.33 111.95 1kpk n VAL 412 Ca 0.06 1.29 0.26 0.00 -0.01 0.00 0.00 64.34 65.94 1kpk n VAL 412 Cb 0.09 -2.27 0.47 0.00 -0.91 0.00 0.00 33.84 31.22 1kpk n VAL 412 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1kpk n LEU 413 N -1.80 0.26 -0.25 7.52 7.94 -0.86 0.13 117.00 129.94 1kpk n LEU 413 Ca 0.00 1.28 0.03 0.00 -1.11 0.00 0.00 56.01 56.21 1kpk n LEU 413 Cb 0.00 -0.62 0.25 0.00 0.53 0.00 0.00 43.42 43.58 1kpk n LEU 413 CO 0.00 -1.43 1.24 -0.33 -1.11 0.00 0.00 177.39 175.76 1kpk h GLU 414 N 0.00 0.97 0.00 1.96 4.39 -0.06 -2.12 114.58 119.72 1kpk h GLU 414 Ca 0.67 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.30 1kpk h GLU 414 Cb 1.82 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 30.22 1kpk h GLU 414 CO -0.58 0.64 -0.28 0.00 -1.16 0.00 0.00 179.01 177.64 1kpk n MET 415 N -4.46 1.05 0.00 2.33 0.00 0.35 -4.64 117.12 111.75 1kpk n MET 415 Ca 0.11 -2.45 0.00 0.00 0.00 0.00 0.00 57.70 55.36 1kpk n MET 415 Cb 0.13 -1.25 0.00 0.00 0.00 0.00 0.00 33.22 32.10 1kpk n MET 415 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1kpk n THR 416 N -0.98 0.00 -3.63 3.17 5.66 -0.05 -4.48 114.28 113.97 1kpk n THR 416 Ca 0.13 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.93 1kpk n THR 416 Cb 0.70 -0.53 0.05 0.00 -1.55 0.00 0.00 70.33 68.99 1kpk n THR 416 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1kpk n ASP 417 N -1.70 -1.46 -3.34 1.09 4.64 -0.80 -4.66 116.55 110.33 1kpk n ASP 417 Ca 0.00 -0.77 -0.26 0.00 -1.38 0.00 0.00 54.79 52.38 1kpk n ASP 417 Cb 0.32 -4.34 -0.08 0.00 -1.04 0.00 0.00 41.12 35.99 1kpk n ASP 417 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 1kpk n ASN 418 N -3.07 2.44 0.32 1.67 4.13 -1.26 -4.92 115.26 114.57 1kpk n ASN 418 Ca -0.29 -3.17 0.20 0.00 1.68 0.00 0.00 54.58 53.00 1kpk n ASN 418 Cb 0.68 -0.66 1.12 0.00 -1.54 0.00 0.00 39.78 39.38 1kpk n ASN 418 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1kpk h TYR 419 N 4.12 0.00 -0.95 3.10 3.20 -1.94 -1.05 116.97 123.44 1kpk h TYR 419 Ca 0.15 0.00 0.26 0.00 3.14 0.00 0.00 58.73 62.28 1kpk h TYR 419 Cb 0.74 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.96 1kpk h TYR 419 CO 0.59 0.00 0.66 -0.56 -1.64 0.00 0.00 178.16 177.21 1kpk h GLN 420 N 0.00 0.14 -0.71 1.82 3.07 -1.96 0.11 115.11 117.59 1kpk h GLN 420 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1kpk h GLN 420 Cb 0.02 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.55 1kpk h GLN 420 CO -0.00 0.10 0.00 1.28 0.09 0.00 0.00 178.83 180.30 1kpk n LEU 421 N -4.36 4.18 -0.03 0.06 4.77 -0.40 -4.50 117.00 116.71 1kpk n LEU 421 Ca 0.21 -2.10 0.17 0.00 -0.03 0.00 0.00 56.01 54.26 1kpk n LEU 421 Cb 0.93 -0.52 0.61 0.00 -2.33 0.00 0.00 43.42 42.11 1kpk n LEU 421 CO 0.35 0.92 1.18 -0.29 -1.33 0.00 0.00 177.39 178.23 1kpk h ILE 422 N 4.22 0.79 0.32 -0.08 6.09 -0.89 0.17 117.51 128.13 1kpk h ILE 422 Ca 0.00 -0.06 -0.02 0.00 -1.37 0.00 0.00 64.86 63.42 1kpk h ILE 422 Cb 1.13 0.62 0.00 0.00 0.47 0.00 0.00 36.82 39.04 1kpk h ILE 422 CO 0.08 0.03 -0.15 0.25 -3.07 0.00 0.00 178.15 175.28 1kpk h LEU 423 N 0.16 -0.36 -1.81 2.19 5.85 -1.79 -2.79 115.31 116.75 1kpk h LEU 423 Ca 0.26 -0.07 0.10 0.00 0.84 0.00 0.00 57.88 59.02 1kpk h LEU 423 Cb 0.83 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1kpk h LEU 423 CO -0.04 0.10 0.34 -0.65 -0.34 0.00 0.00 178.44 177.85 1kpk h PRO 424 N -1.07 0.20 -0.94 5.25 0.11 -1.76 -0.30 132.00 133.51 1kpk h PRO 424 Ca -0.04 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1kpk h PRO 424 Cb 0.41 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.43 1kpk h PRO 424 CO 0.07 0.13 0.58 0.52 -0.21 0.00 0.00 178.00 179.09 1kpk h MET 425 N 0.21 1.26 0.04 1.05 2.86 -0.66 -1.14 114.93 118.55 1kpk h MET 425 Ca 0.23 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1kpk h MET 425 Cb 0.63 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1kpk h MET 425 CO -0.04 0.87 -0.02 0.82 1.06 0.00 0.00 176.91 179.60 1kpk h ILE 426 N 1.28 1.24 -1.13 -1.22 2.04 -0.96 -2.18 117.51 116.59 1kpk h ILE 426 Ca 0.34 -1.71 0.36 0.00 1.00 0.00 0.00 64.86 64.85 1kpk h ILE 426 Cb -0.08 2.25 -0.13 0.00 -0.74 0.00 0.00 36.82 38.12 1kpk h ILE 426 CO -0.07 0.39 0.70 0.40 0.00 0.00 0.00 178.15 179.57 1kpk h ILE 427 N -0.91 0.25 0.00 -0.67 2.04 -1.01 0.58 117.51 117.80 1kpk h ILE 427 Ca -0.01 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1kpk h ILE 427 Cb 0.67 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1kpk h ILE 427 CO 0.01 0.04 0.00 0.41 0.00 0.00 0.00 178.15 178.61 1kpk n THR 428 N -4.85 0.00 -0.20 -0.27 -1.04 -0.44 -2.95 114.28 104.53 1kpk n THR 428 Ca 0.33 0.70 0.30 0.00 -2.04 0.00 0.00 64.05 63.34 1kpk n THR 428 Cb 1.16 -1.63 0.65 0.00 -1.82 0.00 0.00 70.33 68.69 1kpk n THR 428 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1kpk h GLY 429 N 0.00 0.00 0.45 3.41 0.00 -0.84 0.75 103.07 106.84 1kpk h GLY 429 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1kpk h GLY 429 CO 0.00 0.00 -0.34 -2.00 0.00 0.00 0.00 176.54 174.20 1kpk h LEU 430 N 0.00 0.26 -1.55 3.11 5.85 0.05 -3.00 115.31 120.03 1kpk h LEU 430 Ca 0.47 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1kpk h LEU 430 Cb 2.31 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 43.26 1kpk h LEU 430 CO -0.00 1.07 0.00 1.23 -0.34 0.00 0.00 178.44 180.39 1kpk h GLY 431 N -0.52 0.00 2.00 3.75 0.00 -0.83 -1.09 103.07 106.39 1kpk h GLY 431 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1kpk h GLY 431 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.61 1kpk h ALA 432 N 2.08 1.00 0.00 3.60 0.00 -0.89 -2.43 119.26 122.61 1kpk h ALA 432 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kpk h ALA 432 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1kpk h ALA 432 CO 0.00 0.00 -1.84 2.41 0.00 0.00 0.00 179.25 179.82 1kpk n THR 433 N -2.49 0.05 -0.01 0.00 -1.04 -0.45 -3.66 114.28 106.68 1kpk n THR 433 Ca 0.05 -0.47 -0.00 0.00 -2.04 0.00 0.00 64.05 61.58 1kpk n THR 433 Cb 0.42 0.04 -0.00 0.00 -1.82 0.00 0.00 70.33 68.97 1kpk n THR 433 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1kpk h LEU 434 N 0.00 -0.02 0.00 -4.42 3.38 -1.33 -3.04 115.31 109.87 1kpk h LEU 434 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1kpk h LEU 434 Cb 0.96 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1kpk h LEU 434 CO 0.00 0.15 0.05 0.18 0.09 0.00 0.00 178.44 178.91 1kpk n LEU 435 N -2.99 0.00 -1.16 1.67 7.99 -0.93 0.17 117.00 121.75 1kpk n LEU 435 Ca -0.00 0.24 0.12 0.00 -0.01 0.00 0.00 56.01 56.36 1kpk n LEU 435 Cb 0.01 -0.24 0.22 0.00 -0.11 0.00 0.00 43.42 43.30 1kpk n LEU 435 CO 0.01 -0.24 0.71 0.00 -1.51 0.00 0.00 177.39 176.35 1kpk n ALA 436 N -1.20 2.42 -0.04 -1.18 0.00 -1.21 -3.62 120.51 115.68 1kpk n ALA 436 Ca 0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 53.44 52.37 1kpk n ALA 436 Cb 0.05 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 1kpk n ALA 436 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1kpk n GLN 437 N 1.49 0.17 0.00 0.00 7.27 0.44 -2.66 117.38 124.09 1kpk n GLN 437 Ca 0.19 0.07 0.04 0.00 0.07 0.00 0.00 57.00 57.37 1kpk n GLN 437 Cb 0.61 -0.85 0.24 0.00 2.41 0.00 0.00 30.24 32.65 1kpk n GLN 437 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1kpk n PHE 438 N -3.24 0.00 -0.09 3.69 3.72 -0.53 0.61 117.46 121.62 1kpk n PHE 438 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1kpk n PHE 438 Cb 0.62 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.16 1kpk n PHE 438 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1kpk n THR 439 N -0.76 0.59 -3.10 4.37 -2.24 -1.24 -5.05 114.28 106.85 1kpk n THR 439 Ca 0.06 -0.75 -0.19 0.00 -2.27 0.00 0.00 64.05 60.90 1kpk n THR 439 Cb 0.03 0.74 0.02 0.00 -2.10 0.00 0.00 70.33 69.01 1kpk n THR 439 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kpk n GLY 440 N -0.30 -0.80 2.46 3.38 0.00 0.20 -5.03 105.19 105.11 1kpk n GLY 440 Ca 0.00 1.20 -0.21 0.00 0.00 0.00 0.00 46.02 47.02 1kpk n GLY 440 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kpk n GLY 441 N -0.32 3.54 3.17 -0.02 0.00 -1.09 -5.01 105.19 105.46 1kpk n GLY 441 Ca 0.04 -2.30 -0.11 0.00 0.00 0.00 0.00 46.02 43.64 1kpk n GLY 441 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kpk s LYS 442 N -3.30 0.62 -0.76 1.61 1.02 -1.26 -4.92 119.74 112.76 1kpk s LYS 442 Ca 0.05 -0.46 -0.24 0.00 0.02 0.00 0.00 55.97 55.33 1kpk s LYS 442 Cb -0.00 0.26 -0.15 0.00 -0.52 0.00 0.00 37.83 37.42 1kpk s LYS 442 CO 0.03 -0.17 2.40 -2.30 -0.92 0.00 0.00 175.35 174.40 1kpk n PRO 443 N 1.05 0.59 -0.27 -1.68 -0.02 -1.26 -4.76 135.00 128.65 1kpk n PRO 443 Ca -0.21 -0.57 0.24 0.00 -2.02 0.00 0.00 63.50 60.94 1kpk n PRO 443 Cb 0.57 -3.32 0.41 0.00 -0.02 0.00 0.00 33.50 31.14 1kpk n PRO 443 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1kpk n LEU 444 N 16.68 0.16 0.18 2.45 -0.00 -0.79 0.28 117.00 135.95 1kpk n LEU 444 Ca 0.48 0.92 0.05 0.00 -0.00 0.00 0.00 56.01 57.46 1kpk n LEU 444 Cb 0.41 -0.45 0.31 0.00 -0.00 0.00 0.00 43.42 43.69 1kpk n LEU 444 CO 0.64 -1.01 0.66 1.88 -0.00 0.00 0.00 177.39 179.56 1kpk h TYR 445 N 0.00 0.00 0.00 1.96 0.99 -1.85 -2.89 116.97 115.19 1kpk h TYR 445 Ca 0.55 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 61.18 1kpk h TYR 445 Cb 1.68 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 39.40 1kpk h TYR 445 CO -0.00 0.40 -0.66 0.77 -0.00 0.00 0.00 178.16 178.66 1kpk h SER 446 N 0.00 0.00 -1.23 3.88 0.02 0.36 -3.21 113.55 113.37 1kpk h SER 446 Ca -0.00 -0.38 0.36 0.00 -0.84 0.00 0.00 61.79 60.92 1kpk h SER 446 Cb 0.93 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.42 1kpk h SER 446 CO 0.05 1.07 1.04 0.00 -1.14 0.00 0.00 176.83 177.85 1kpk h ALA 447 N -0.62 3.12 0.00 3.77 0.00 -1.35 2.82 119.26 127.01 1kpk h ALA 447 Ca -0.14 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1kpk h ALA 447 Cb 0.85 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1kpk h ALA 447 CO -0.09 -1.67 -0.81 0.82 0.00 0.00 0.00 179.25 177.50 1kpk h ILE 448 N 0.00 1.15 -0.01 0.00 2.04 -1.61 -2.71 117.51 116.37 1kpk h ILE 448 Ca 0.58 -2.67 -0.03 0.00 1.00 0.00 0.00 64.86 63.75 1kpk h ILE 448 Cb 2.66 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 41.29 1kpk h ILE 448 CO -0.01 0.65 -0.11 0.25 0.00 0.00 0.00 178.15 178.94 1kpk h LEU 449 N 0.00 0.12 -0.52 1.44 5.85 0.49 -1.18 115.31 121.50 1kpk h LEU 449 Ca -0.03 -0.72 0.05 0.00 0.84 0.00 0.00 57.88 58.02 1kpk h LEU 449 Cb 1.57 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 42.48 1kpk h LEU 449 CO 0.09 0.82 -0.50 0.00 -0.34 0.00 0.00 178.44 178.51 1kpk h ALA 450 N 0.29 -0.65 0.02 1.25 0.00 -0.72 0.14 119.26 119.59 1kpk h ALA 450 Ca -0.01 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1kpk h ALA 450 Cb 0.83 1.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.75 1kpk h ALA 450 CO 0.02 -0.93 -0.30 0.00 0.00 0.00 0.00 179.25 178.04 1kpk h ARG 451 N -0.24 -0.38 -0.08 0.00 2.47 -1.53 0.63 114.38 115.25 1kpk h ARG 451 Ca 0.09 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1kpk h ARG 451 Cb 0.47 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 1kpk h ARG 451 CO -0.62 -0.25 0.00 -2.37 0.56 0.00 0.00 179.97 177.29 1kpk n THR 452 N -4.17 0.00 0.00 2.04 5.66 -0.45 -1.99 114.28 115.38 1kpk n THR 452 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1kpk n THR 452 Cb 0.23 -0.29 0.00 0.00 -1.55 0.00 0.00 70.33 68.72 1kpk n THR 452 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1kpk n LEU 453 N -0.18 0.79 0.21 1.09 7.94 0.43 -4.52 117.00 122.76 1kpk n LEU 453 Ca 0.00 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.97 1kpk n LEU 453 Cb 0.02 0.00 0.46 0.00 0.53 0.00 0.00 43.42 44.43 1kpk n LEU 453 CO 0.00 0.05 0.78 0.00 -1.11 0.00 0.00 177.39 177.11 1kpk h ALA 454 N 0.00 1.19 -0.42 1.96 0.00 0.37 -0.33 119.26 122.02 1kpk h ALA 454 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1kpk h ALA 454 Cb 0.75 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1kpk h ALA 454 CO 0.00 0.37 0.00 1.17 0.00 0.00 0.00 179.25 180.79 1kpk n LYS 455 N -3.71 2.18 -0.03 0.00 4.81 -0.84 -2.47 118.16 118.09 1kpk n LYS 455 Ca -0.01 -1.60 -0.01 0.00 -0.87 0.00 0.00 58.31 55.82 1kpk n LYS 455 Cb 0.40 -1.42 -0.07 0.00 0.02 0.00 0.00 35.03 33.96 1kpk n LYS 455 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1kpk n GLN 456 N 0.72 1.63 -0.01 1.64 -0.06 -0.26 -4.51 117.38 116.53 1kpk n GLN 456 Ca 0.15 -0.04 -0.17 0.00 -2.00 0.00 0.00 57.00 54.94 1kpk n GLN 456 Cb 0.43 -1.23 -0.12 0.00 -4.06 0.00 0.00 30.24 25.26 1kpk n GLN 456 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 1kpk h GLU 457 N 0.00 0.22 -1.03 3.69 4.81 -1.08 -3.24 114.58 117.96 1kpk h GLU 457 Ca -0.14 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1kpk h GLU 457 Cb 1.09 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1kpk h GLU 457 CO 0.01 1.04 0.00 0.00 -0.73 0.00 0.00 179.01 179.33 1kpk n ALA 458 N -2.59 2.50 -0.96 2.92 0.00 -1.03 -2.56 120.51 118.78 1kpk n ALA 458 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1kpk n ALA 458 Cb 0.61 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1kpk n ALA 458 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1kpk n GLU 459 N 0.52 0.46 -2.30 0.00 2.13 -1.22 -4.76 120.64 115.47 1kpk n GLU 459 Ca 0.00 -0.74 -0.17 0.00 0.66 0.00 0.00 57.16 56.91 1kpk n GLU 459 Cb 0.49 -0.59 0.03 0.00 0.27 0.00 0.00 31.44 31.63 1kpk n GLU 459 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1kpk n GLN 460 N -0.10 3.01 0.00 5.31 6.02 -1.06 -5.06 117.38 125.50 1kpk n GLN 460 Ca 0.00 -3.99 0.00 0.00 -0.01 0.00 0.00 57.00 53.00 1kpk n GLN 460 Cb 0.49 -2.06 0.00 0.00 1.02 0.00 0.00 30.24 29.69 1kpk n GLN 460 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33