#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfy s THR 2 N 0.00 3.48 -2.58 4.28 -1.32 -1.26 -4.95 115.64 113.29 1kfy s THR 2 Ca 0.00 0.65 0.23 0.00 -1.21 0.00 0.00 61.69 61.37 1kfy s THR 2 Cb 0.00 -3.19 0.10 0.00 -1.51 0.00 0.00 72.50 67.91 1kfy s THR 2 CO 0.00 -0.46 1.18 1.17 -2.21 0.00 0.00 174.62 174.30 1kfy n LYS 3 N -2.47 1.85 -3.90 7.08 4.81 -1.26 -4.95 118.16 119.31 1kfy n LYS 3 Ca 0.10 -1.53 -0.36 0.00 -0.87 0.00 0.00 58.31 55.64 1kfy n LYS 3 Cb 0.52 -1.47 -0.06 0.00 0.02 0.00 0.00 35.03 34.05 1kfy n LYS 3 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1kfy s ARG 4 N -2.20 3.42 -0.53 1.64 1.70 -1.26 -5.04 118.95 116.68 1kfy s ARG 4 Ca 0.24 -0.16 0.04 0.00 -0.47 0.00 0.00 55.73 55.37 1kfy s ARG 4 Cb 0.19 -3.16 0.14 0.00 -0.57 0.00 0.00 34.95 31.55 1kfy s ARG 4 CO 0.41 0.76 0.29 0.21 -1.08 0.00 0.00 175.30 175.90 1kfy s LYS 5 N -1.13 1.91 -0.07 3.89 2.20 -1.26 -5.09 119.74 120.19 1kfy s LYS 5 Ca 0.16 -2.62 -0.30 0.00 -0.36 0.00 0.00 55.97 52.86 1kfy s LYS 5 Cb -0.12 -3.13 -0.06 0.00 -1.51 0.00 0.00 37.83 33.02 1kfy s LYS 5 CO 0.06 -1.15 1.75 -1.25 -0.36 0.00 0.00 175.35 174.40 1kfy s PRO 6 N -0.35 4.04 -0.20 4.03 0.04 -1.26 -4.97 135.00 136.32 1kfy s PRO 6 Ca 0.19 2.18 -0.22 0.00 0.04 0.00 0.00 61.00 63.18 1kfy s PRO 6 Cb -0.22 -4.06 -0.02 0.00 0.04 0.00 0.00 34.50 30.24 1kfy s PRO 6 CO -0.03 -1.03 0.71 -0.47 0.04 0.00 0.00 177.00 176.22 1kfy s TYR 7 N 4.61 3.37 -0.36 0.56 6.14 -1.26 -5.04 117.35 125.38 1kfy s TYR 7 Ca 0.78 1.03 -0.08 0.00 0.64 0.00 0.00 57.07 59.45 1kfy s TYR 7 Cb -0.34 -2.89 0.05 0.00 0.42 0.00 0.00 41.96 39.20 1kfy s TYR 7 CO 0.32 -0.23 0.15 0.08 0.64 0.00 0.00 175.55 176.52 1kfy s VAL 8 N 2.12 3.98 0.58 3.14 1.01 -1.26 -5.08 120.40 124.89 1kfy s VAL 8 Ca 0.32 -1.16 -0.20 0.00 0.00 0.00 0.00 61.98 60.94 1kfy s VAL 8 Cb -0.16 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1kfy s VAL 8 CO 0.10 -0.26 1.30 -0.13 0.00 0.00 0.00 175.10 176.12 1kfy s ARG 9 N 1.42 2.94 0.41 2.72 0.52 -1.26 -4.99 118.95 120.71 1kfy s ARG 9 Ca 0.00 2.09 -0.07 0.00 -0.52 0.00 0.00 55.73 57.23 1kfy s ARG 9 Cb -0.20 -2.07 -0.05 0.00 0.52 0.00 0.00 34.95 33.15 1kfy s ARG 9 CO 0.03 -1.30 0.73 -1.25 0.02 0.00 0.00 175.30 173.53 1kfy s PRO 10 N -3.12 3.66 -0.41 3.54 0.04 -1.26 -5.06 135.00 132.39 1kfy s PRO 10 Ca 0.76 0.27 -0.03 0.00 0.04 0.00 0.00 61.00 62.04 1kfy s PRO 10 Cb -0.37 -2.44 0.11 0.00 0.04 0.00 0.00 34.50 31.84 1kfy s PRO 10 CO 0.42 -0.05 0.20 1.41 0.04 0.00 0.00 177.00 179.02 1kfy s MET 11 N -4.13 2.00 0.99 4.56 1.75 -1.26 -5.11 119.30 118.10 1kfy s MET 11 Ca 0.48 -1.81 -0.12 0.00 -1.25 0.00 0.00 55.69 52.99 1kfy s MET 11 Cb -0.10 -3.57 0.18 0.00 2.84 0.00 0.00 34.83 34.18 1kfy s MET 11 CO 0.36 -1.06 1.09 0.95 -0.65 0.00 0.00 175.02 175.71 1kfy s THR 12 N 1.14 2.18 -1.61 10.11 -4.23 -1.26 -4.90 115.64 117.07 1kfy s THR 12 Ca 0.08 0.06 0.26 0.00 -1.18 0.00 0.00 61.69 60.91 1kfy s THR 12 Cb -0.23 -2.52 0.55 0.00 1.34 0.00 0.00 72.50 71.65 1kfy s THR 12 CO -0.04 -0.08 1.90 -1.54 -0.54 0.00 0.00 174.62 174.32 1kfy n SER 13 N -4.18 0.00 -1.31 3.99 3.41 -1.26 -3.00 113.62 111.27 1kfy n SER 13 Ca 0.05 -0.32 -0.07 0.00 -0.26 0.00 0.00 58.87 58.28 1kfy n SER 13 Cb 0.57 -0.20 0.20 0.00 -0.26 0.00 0.00 64.21 64.52 1kfy n SER 13 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1kfy n THR 14 N -1.20 2.64 0.03 6.66 -2.24 -1.26 -4.72 114.28 114.19 1kfy n THR 14 Ca 0.15 -2.65 -0.12 0.00 -2.27 0.00 0.00 64.05 59.16 1kfy n THR 14 Cb 0.17 -0.34 -0.07 0.00 -2.10 0.00 0.00 70.33 67.99 1kfy n THR 14 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 1kfy h TRP 15 N 1.01 0.02 -0.24 4.78 5.08 -1.91 -2.83 115.95 121.87 1kfy h TRP 15 Ca 0.28 -0.00 0.07 0.00 1.08 0.00 0.00 58.89 60.32 1kfy h TRP 15 Cb 1.82 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 27.96 1kfy h TRP 15 CO 1.12 0.06 0.18 0.11 -1.28 0.00 0.00 178.44 178.63 1kfy h TRP 16 N -0.02 0.00 0.00 0.12 5.08 -1.89 -2.01 115.95 117.23 1kfy h TRP 16 Ca 0.01 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.98 1kfy h TRP 16 Cb 0.04 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.20 1kfy h TRP 16 CO -0.06 0.00 0.00 -0.22 -1.28 0.00 0.00 178.44 176.88 1kfy h LYS 17 N 0.00 0.00 0.00 0.12 3.64 -1.85 -3.06 116.57 115.42 1kfy h LYS 17 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1kfy h LYS 17 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1kfy h LYS 17 CO -0.00 0.00 0.00 1.17 -2.27 0.00 0.00 179.45 178.35 1kfy n LYS 18 N -2.93 0.00 -3.11 1.90 4.81 -0.76 -4.88 118.16 113.20 1kfy n LYS 18 Ca -0.03 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.02 1kfy n LYS 18 Cb 0.08 -0.08 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 1kfy n LYS 18 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1kfy s LEU 19 N 0.00 4.52 0.32 3.14 2.34 -1.26 -4.95 118.68 122.79 1kfy s LEU 19 Ca 0.00 1.41 0.15 0.00 0.06 0.00 0.00 54.13 55.75 1kfy s LEU 19 Cb 0.00 -3.10 1.11 0.00 -0.56 0.00 0.00 46.19 43.64 1kfy s LEU 19 CO 0.00 0.18 1.44 -2.65 -1.06 0.00 0.00 176.35 174.26 1kfy n PRO 20 N 2.05 -0.06 -0.27 1.48 -0.02 -1.26 -0.07 135.00 136.84 1kfy n PRO 20 Ca -0.07 1.29 0.05 0.00 -2.02 0.00 0.00 63.50 62.75 1kfy n PRO 20 Cb 0.50 -2.24 0.27 0.00 -0.02 0.00 0.00 33.50 32.01 1kfy n PRO 20 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1kfy h PHE 21 N 0.00 0.97 -0.12 6.00 3.57 -1.93 -0.70 116.94 124.72 1kfy h PHE 21 Ca 0.72 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 62.11 1kfy h PHE 21 Cb 1.84 -0.32 0.01 0.00 2.79 0.00 0.00 35.95 40.26 1kfy h PHE 21 CO -0.12 0.51 -0.46 1.88 -2.23 0.00 0.00 178.31 177.89 1kfy h TYR 22 N 0.95 0.70 -0.74 0.41 0.05 -0.73 -2.84 116.97 114.77 1kfy h TYR 22 Ca 0.37 -0.29 0.12 0.00 0.05 0.00 0.00 58.73 58.98 1kfy h TYR 22 Cb 0.22 -0.12 -0.08 0.00 1.01 0.00 0.00 36.73 37.77 1kfy h TYR 22 CO -0.00 1.06 0.34 0.00 -1.05 0.00 0.00 178.16 178.50 1kfy h ARG 23 N 0.15 0.51 0.00 4.88 3.08 -1.08 0.67 114.38 122.59 1kfy h ARG 23 Ca -0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1kfy h ARG 23 Cb 1.09 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1kfy h ARG 23 CO 0.10 0.34 0.00 0.74 -1.07 0.00 0.00 179.97 180.08 1kfy h PHE 24 N 0.53 0.00 0.41 3.04 0.04 -1.17 -0.22 116.94 119.57 1kfy h PHE 24 Ca 0.39 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.14 1kfy h PHE 24 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 1kfy h PHE 24 CO -0.13 0.00 -0.20 -0.92 -0.60 0.00 0.00 178.31 176.46 1kfy h TYR 25 N 0.00 -0.51 -0.41 -0.55 3.20 -0.67 -0.33 116.97 117.69 1kfy h TYR 25 Ca 0.00 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.94 1kfy h TYR 25 Cb 0.59 0.17 -0.09 0.00 1.54 0.00 0.00 36.73 38.94 1kfy h TYR 25 CO 0.00 -0.19 -0.18 0.52 -1.64 0.00 0.00 178.16 176.67 1kfy h MET 26 N -0.98 -0.09 -0.68 1.82 2.86 -0.91 0.33 114.93 117.29 1kfy h MET 26 Ca -0.06 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.68 1kfy h MET 26 Cb 0.55 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.16 1kfy h MET 26 CO 0.09 -0.06 0.32 1.25 1.06 0.00 0.00 176.91 179.58 1kfy h LEU 27 N -0.09 0.41 -0.48 1.22 5.85 -1.04 1.21 115.31 122.38 1kfy h LEU 27 Ca 0.20 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.06 1kfy h LEU 27 Cb 0.41 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 1kfy h LEU 27 CO -0.48 0.24 0.13 -0.09 -0.34 0.00 0.00 178.44 177.90 1kfy h ARG 28 N 0.56 0.27 -0.46 1.25 2.43 0.14 -1.16 114.38 117.40 1kfy h ARG 28 Ca 0.33 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.35 1kfy h ARG 28 Cb 0.35 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1kfy h ARG 28 CO -0.27 0.18 -0.25 0.93 -1.51 0.00 0.00 179.97 179.05 1kfy h GLU 29 N 0.28 0.97 -0.04 0.20 4.39 0.69 -2.88 114.58 118.20 1kfy h GLU 29 Ca 0.24 -0.44 0.01 0.00 0.34 0.00 0.00 59.36 59.51 1kfy h GLU 29 Cb 0.29 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1kfy h GLU 29 CO -0.28 1.11 0.45 0.78 -1.16 0.00 0.00 179.01 179.91 1kfy h GLY 30 N 0.86 0.00 1.60 -3.84 0.00 0.27 0.40 103.07 102.36 1kfy h GLY 30 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.46 1kfy h GLY 30 CO 0.07 0.00 0.17 -0.84 0.00 0.00 0.00 176.54 175.94 1kfy h THR 31 N 0.00 0.37 -0.85 4.70 2.02 -1.28 -2.63 112.91 115.24 1kfy h THR 31 Ca 0.02 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.27 1kfy h THR 31 Cb 0.92 0.86 -0.06 0.00 -1.74 0.00 0.00 68.15 68.13 1kfy h THR 31 CO -0.00 0.00 0.52 0.00 0.37 0.00 0.00 175.52 176.41 1kfy h ALA 32 N 1.78 1.19 0.22 6.16 0.00 -1.14 -2.70 119.26 124.77 1kfy h ALA 32 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1kfy h ALA 32 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1kfy h ALA 32 CO -0.00 0.23 -0.18 0.28 0.00 0.00 0.00 179.25 179.58 1kfy h VAL 33 N 0.93 0.00 -1.00 0.00 2.07 -1.70 -1.47 116.25 115.07 1kfy h VAL 33 Ca 0.38 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.15 1kfy h VAL 33 Cb 0.22 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.91 1kfy h VAL 33 CO -0.19 0.00 0.65 -0.65 0.02 0.00 0.00 177.57 177.40 1kfy h PRO 34 N -0.40 0.40 -0.57 1.57 0.11 -1.74 0.53 132.00 131.90 1kfy h PRO 34 Ca -0.03 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 1kfy h PRO 34 Cb 0.33 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.33 1kfy h PRO 34 CO -0.00 0.26 0.25 0.00 -0.21 0.00 0.00 178.00 178.30 1kfy h ALA 35 N 1.61 0.74 -0.07 -0.75 0.00 -1.12 -1.06 119.26 118.60 1kfy h ALA 35 Ca 0.56 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 1kfy h ALA 35 Cb 1.39 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1kfy h ALA 35 CO -0.26 0.33 -0.19 -0.39 0.00 0.00 0.00 179.25 178.74 1kfy h VAL 36 N 0.78 1.42 -0.97 0.00 -1.51 0.11 -2.73 116.25 113.34 1kfy h VAL 36 Ca 0.19 -1.55 0.21 0.00 -1.23 0.00 0.00 66.70 64.33 1kfy h VAL 36 Cb 0.16 2.26 -0.09 0.00 -2.13 0.00 0.00 31.29 31.49 1kfy h VAL 36 CO -0.02 0.44 0.62 -0.25 -1.23 0.00 0.00 177.57 177.13 1kfy h TRP 37 N -0.25 0.79 -0.18 5.19 2.91 -1.05 0.41 115.95 123.77 1kfy h TRP 37 Ca -0.00 0.03 -0.14 0.00 1.13 0.00 0.00 58.89 59.90 1kfy h TRP 37 Cb 0.80 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 29.20 1kfy h TRP 37 CO 0.12 0.17 -0.50 0.35 -1.03 0.00 0.00 178.44 177.55 1kfy h PHE 38 N 0.56 0.59 -0.60 2.65 3.57 -1.13 0.14 116.94 122.72 1kfy h PHE 38 Ca 0.54 -0.19 -0.10 0.00 3.53 0.00 0.00 57.97 61.75 1kfy h PHE 38 Cb 1.12 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 1kfy h PHE 38 CO -0.00 0.88 -0.01 1.03 -2.23 0.00 0.00 178.31 177.97 1kfy h SER 39 N 0.38 1.05 -0.46 0.41 0.87 -0.02 0.22 113.55 116.01 1kfy h SER 39 Ca 0.02 -0.31 -0.05 0.00 -1.23 0.00 0.00 61.79 60.22 1kfy h SER 39 Cb 1.01 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 1kfy h SER 39 CO 0.09 1.11 0.10 0.40 -0.53 0.00 0.00 176.83 178.00 1kfy h ILE 40 N 0.97 1.24 -0.78 2.23 2.04 -0.56 -1.76 117.51 120.89 1kfy h ILE 40 Ca 0.17 -0.85 0.08 0.00 1.00 0.00 0.00 64.86 65.25 1kfy h ILE 40 Cb 0.58 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.51 1kfy h ILE 40 CO 0.03 0.30 0.45 -0.08 0.00 0.00 0.00 178.15 178.86 1kfy h GLU 41 N 0.61 0.77 0.00 2.37 4.81 -0.56 0.16 114.58 122.74 1kfy h GLU 41 Ca 0.14 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1kfy h GLU 41 Cb 0.35 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1kfy h GLU 41 CO 0.00 0.51 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.54 1kfy h LEU 42 N 0.79 0.00 0.05 1.64 3.38 -0.27 -1.97 115.31 118.93 1kfy h LEU 42 Ca 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 1kfy h LEU 42 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1kfy h LEU 42 CO -0.21 0.18 -0.02 0.40 0.09 0.00 0.00 178.44 178.87 1kfy h ILE 43 N 0.00 1.28 -0.41 1.22 2.04 0.09 0.03 117.51 121.76 1kfy h ILE 43 Ca -0.00 -1.23 0.07 0.00 1.00 0.00 0.00 64.86 64.70 1kfy h ILE 43 Cb 0.42 2.08 -0.09 0.00 -0.74 0.00 0.00 36.82 38.48 1kfy h ILE 43 CO 0.02 0.30 -0.43 -0.26 0.00 0.00 0.00 178.15 177.79 1kfy h PHE 44 N -0.63 -1.24 -0.94 1.37 -1.00 -0.78 0.77 116.94 114.49 1kfy h PHE 44 Ca -0.01 0.07 0.07 0.00 2.81 0.00 0.00 57.97 60.91 1kfy h PHE 44 Cb 0.55 0.60 -0.07 0.00 3.61 0.00 0.00 35.95 40.64 1kfy h PHE 44 CO 0.11 -0.44 0.59 0.78 -1.61 0.00 0.00 178.31 177.74 1kfy h GLY 45 N -0.32 1.43 1.24 -1.45 0.00 -1.37 -0.15 103.07 102.45 1kfy h GLY 45 Ca 0.14 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1kfy h GLY 45 CO -0.58 0.29 0.36 -2.00 0.00 0.00 0.00 176.54 174.61 1kfy h LEU 46 N 1.07 0.89 0.01 3.11 5.85 0.11 0.06 115.31 126.41 1kfy h LEU 46 Ca 0.41 -0.08 -0.22 0.00 0.84 0.00 0.00 57.88 58.83 1kfy h LEU 46 Cb 0.20 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1kfy h LEU 46 CO -0.18 0.74 -1.04 -0.26 -0.34 0.00 0.00 178.44 177.36 1kfy h PHE 47 N 0.99 0.09 0.00 1.25 0.05 -0.54 -2.95 116.94 115.84 1kfy h PHE 47 Ca 0.25 -0.07 -0.11 0.00 3.82 0.00 0.00 57.97 61.86 1kfy h PHE 47 Cb 0.07 -0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.00 1kfy h PHE 47 CO 0.01 1.05 -0.55 0.00 -0.18 0.00 0.00 178.31 178.64 1kfy h ALA 48 N 0.93 1.05 -0.12 2.45 0.00 -0.79 -0.73 119.26 122.05 1kfy h ALA 48 Ca -0.03 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 1kfy h ALA 48 Cb 1.80 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1kfy h ALA 48 CO 0.14 0.68 -0.40 1.25 0.00 0.00 0.00 179.25 180.93 1kfy h LEU 49 N 0.00 0.28 -0.25 0.00 5.85 -0.94 -2.66 115.31 117.59 1kfy h LEU 49 Ca -0.01 -0.11 -0.21 0.00 0.84 0.00 0.00 57.88 58.39 1kfy h LEU 49 Cb 0.99 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 1kfy h LEU 49 CO 0.07 0.65 -0.89 0.50 -0.34 0.00 0.00 178.44 178.43 1kfy h LYS 50 N 0.23 0.30 -1.09 1.25 3.64 -1.25 -3.16 116.57 116.50 1kfy h LYS 50 Ca 0.02 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1kfy h LYS 50 Cb 0.80 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1kfy h LYS 50 CO 0.06 1.02 0.00 0.09 -2.27 0.00 0.00 179.45 178.35 1kfy n ASN 51 N -3.71 2.40 -1.22 4.20 3.02 -0.33 -4.96 115.26 114.66 1kfy n ASN 51 Ca -0.05 -1.76 0.15 0.00 -0.03 0.00 0.00 54.58 52.89 1kfy n ASN 51 Cb 0.81 -0.44 -0.07 0.00 -0.61 0.00 0.00 39.78 39.47 1kfy n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kfy n GLY 52 N 0.49 -2.85 0.32 7.41 0.00 -1.19 -3.65 105.19 105.72 1kfy n GLY 52 Ca 0.00 -1.14 0.14 0.00 0.00 0.00 0.00 46.02 45.02 1kfy n GLY 52 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1kfy n PRO 53 N -4.01 -0.07 -0.16 1.61 -0.02 -1.26 0.19 135.00 131.26 1kfy n PRO 53 Ca -0.05 1.38 -0.00 0.00 -2.02 0.00 0.00 63.50 62.81 1kfy n PRO 53 Cb 0.57 -2.21 0.24 0.00 -0.02 0.00 0.00 33.50 32.09 1kfy n PRO 53 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1kfy h GLU 54 N 0.00 0.89 0.04 -0.52 3.07 -1.93 -1.23 114.58 114.90 1kfy h GLU 54 Ca 0.57 -0.10 -0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1kfy h GLU 54 Cb 1.19 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 1kfy h GLU 54 CO -0.87 0.66 -0.02 0.00 -1.40 0.00 0.00 179.01 177.39 1kfy h ALA 55 N 1.48 -0.06 -0.78 3.43 0.00 -0.33 -2.98 119.26 120.02 1kfy h ALA 55 Ca 0.23 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1kfy h ALA 55 Cb 0.04 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 1kfy h ALA 55 CO -0.04 -0.32 0.42 2.35 0.00 0.00 0.00 179.25 181.66 1kfy h TRP 56 N -0.49 0.75 0.00 0.00 2.91 -1.02 0.39 115.95 118.48 1kfy h TRP 56 Ca -0.01 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.04 1kfy h TRP 56 Cb 0.44 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 28.88 1kfy h TRP 56 CO 0.07 0.27 0.00 0.00 -1.03 0.00 0.00 178.44 177.75 1kfy h ALA 57 N 1.46 1.00 0.00 2.65 0.00 -1.25 -1.09 119.26 122.03 1kfy h ALA 57 Ca 0.39 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.11 1kfy h ALA 57 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1kfy h ALA 57 CO -0.28 0.00 -0.90 0.78 0.00 0.00 0.00 179.25 178.85 1kfy h GLY 58 N 1.69 0.00 0.58 0.00 0.00 -0.78 -2.20 103.07 102.36 1kfy h GLY 58 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1kfy h GLY 58 CO 0.00 0.00 -0.19 -2.75 0.00 0.00 0.00 176.54 173.60 1kfy h PHE 59 N 0.00 -0.48 -0.79 5.60 -0.00 -0.50 -1.87 116.94 118.89 1kfy h PHE 59 Ca -0.01 -0.01 0.07 0.00 -0.00 0.00 0.00 57.97 58.02 1kfy h PHE 59 Cb 1.69 0.16 -0.05 0.00 -0.00 0.00 0.00 35.95 37.74 1kfy h PHE 59 CO 0.00 -0.16 0.52 0.28 -0.00 0.00 0.00 178.31 178.95 1kfy h VAL 60 N -0.94 1.02 -0.53 1.41 2.07 -1.36 0.95 116.25 118.86 1kfy h VAL 60 Ca -0.05 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1kfy h VAL 60 Cb 0.54 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1kfy h VAL 60 CO 0.09 0.15 0.26 -0.78 0.02 0.00 0.00 177.57 177.31 1kfy h ASP 61 N 0.83 0.69 -0.19 0.57 3.58 -1.36 -1.34 116.42 119.19 1kfy h ASP 61 Ca 0.35 -0.12 0.04 0.00 0.42 0.00 0.00 57.03 57.72 1kfy h ASP 61 Cb 0.29 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 1kfy h ASP 61 CO -0.12 0.61 -0.08 0.15 -2.88 0.00 0.00 179.24 176.92 1kfy h PHE 62 N 0.71 -0.17 -0.12 0.28 3.04 -0.01 -1.36 116.94 119.31 1kfy h PHE 62 Ca 0.18 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.19 1kfy h PHE 62 Cb 0.10 0.11 -0.00 0.00 2.56 0.00 0.00 35.95 38.71 1kfy h PHE 62 CO -0.01 -0.12 0.11 -0.07 -2.02 0.00 0.00 178.31 176.20 1kfy h LEU 63 N -0.04 0.00 0.00 0.59 3.38 -0.57 -2.13 115.31 116.54 1kfy h LEU 63 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1kfy h LEU 63 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1kfy h LEU 63 CO -0.23 0.00 -0.36 0.00 0.09 0.00 0.00 178.44 177.94 1kfy n GLN 64 N -4.00 0.09 -1.62 1.13 6.02 -0.54 -4.14 117.38 114.32 1kfy n GLN 64 Ca -0.00 0.04 -0.38 0.00 -0.01 0.00 0.00 57.00 56.64 1kfy n GLN 64 Cb 0.22 -1.57 -0.03 0.00 1.02 0.00 0.00 30.24 29.88 1kfy n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1kfy s ASN 65 N -3.42 4.83 0.00 1.08 3.84 -0.80 -4.87 114.94 115.60 1kfy s ASN 65 Ca 0.11 1.28 0.00 0.00 0.21 0.00 0.00 52.86 54.46 1kfy s ASN 65 Cb 0.16 -2.51 0.00 0.00 -0.55 0.00 0.00 41.25 38.36 1kfy s ASN 65 CO 0.65 -2.55 0.00 -0.81 -2.79 0.00 0.00 177.10 171.61 1kfy n PRO 66 N 8.93 0.00 -0.08 0.43 -0.04 -1.26 -2.05 135.00 140.93 1kfy n PRO 66 Ca 0.33 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.73 1kfy n PRO 66 Cb 0.52 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1kfy n PRO 66 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1kfy h VAL 67 N 0.00 0.60 -0.83 0.52 2.07 -1.95 -1.57 116.25 115.08 1kfy h VAL 67 Ca 0.00 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.72 1kfy h VAL 67 Cb 0.00 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 1kfy h VAL 67 CO 0.00 0.00 0.56 0.40 0.02 0.00 0.00 177.57 178.55 1kfy h ILE 68 N -0.06 0.69 -0.20 4.57 1.08 -1.71 0.24 117.51 122.11 1kfy h ILE 68 Ca 0.16 -0.10 -0.15 0.00 -0.39 0.00 0.00 64.86 64.38 1kfy h ILE 68 Cb 0.30 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 1kfy h ILE 68 CO -0.36 0.05 -0.48 0.58 -0.69 0.00 0.00 178.15 177.26 1kfy h VAL 69 N 0.29 1.31 0.45 1.67 2.07 -1.42 -0.68 116.25 119.94 1kfy h VAL 69 Ca 0.42 -1.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 1kfy h VAL 69 Cb 1.18 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1kfy h VAL 69 CO -0.12 0.53 -0.21 0.40 0.02 0.00 0.00 177.57 178.19 1kfy h ILE 70 N 0.43 0.37 -0.97 4.57 2.04 -0.70 -2.00 117.51 121.24 1kfy h ILE 70 Ca 0.02 -0.54 0.18 0.00 1.00 0.00 0.00 64.86 65.52 1kfy h ILE 70 Cb 1.00 0.54 -0.09 0.00 -0.74 0.00 0.00 36.82 37.53 1kfy h ILE 70 CO 0.09 0.07 0.61 0.40 0.00 0.00 0.00 178.15 179.32 1kfy h ILE 71 N -0.99 0.74 -0.02 -0.67 2.04 -1.03 0.44 117.51 118.02 1kfy h ILE 71 Ca -0.06 -0.24 -0.10 0.00 1.00 0.00 0.00 64.86 65.46 1kfy h ILE 71 Cb 0.57 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1kfy h ILE 71 CO 0.10 0.13 -0.46 0.78 0.00 0.00 0.00 178.15 178.70 1kfy h ASN 72 N 0.71 0.04 0.13 1.72 -0.26 -1.09 0.33 115.58 117.16 1kfy h ASN 72 Ca 0.53 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 56.25 1kfy h ASN 72 Cb 0.90 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.15 1kfy h ASN 72 CO -0.30 0.50 -0.06 -0.07 -1.06 0.00 0.00 177.43 176.43 1kfy h LEU 73 N 0.03 -0.15 -0.63 1.61 3.38 0.56 -0.31 115.31 119.80 1kfy h LEU 73 Ca -0.00 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 57.86 1kfy h LEU 73 Cb 0.83 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.55 1kfy h LEU 73 CO 0.06 0.10 0.30 0.40 0.09 0.00 0.00 178.44 179.39 1kfy h ILE 74 N -0.40 0.87 -0.97 1.22 2.04 -0.68 0.11 117.51 119.70 1kfy h ILE 74 Ca -0.02 -0.19 0.09 0.00 1.00 0.00 0.00 64.86 65.75 1kfy h ILE 74 Cb 0.32 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 1kfy h ILE 74 CO 0.03 0.10 0.62 0.74 0.00 0.00 0.00 178.15 179.64 1kfy h THR 75 N 0.54 1.01 -0.11 -0.27 2.02 -0.53 0.62 112.91 116.19 1kfy h THR 75 Ca 0.30 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1kfy h THR 75 Cb 0.29 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1kfy h THR 75 CO -0.24 0.19 0.04 0.25 0.37 0.00 0.00 175.52 176.13 1kfy h LEU 76 N 1.04 0.15 0.01 2.58 5.85 0.88 -0.34 115.31 125.49 1kfy h LEU 76 Ca 0.44 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 59.00 1kfy h LEU 76 Cb 0.33 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1kfy h LEU 76 CO -0.20 0.31 -0.31 0.00 -0.34 0.00 0.00 178.44 177.90 1kfy h ALA 77 N 0.85 -0.46 -0.70 1.25 0.00 0.12 -0.52 119.26 119.80 1kfy h ALA 77 Ca 0.03 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1kfy h ALA 77 Cb 0.21 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1kfy h ALA 77 CO -0.00 -0.83 0.38 0.00 0.00 0.00 0.00 179.25 178.81 1kfy h ALA 78 N 0.26 0.95 -0.98 0.00 0.00 -0.81 -0.30 119.26 118.39 1kfy h ALA 78 Ca 0.06 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1kfy h ALA 78 Cb 0.55 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1kfy h ALA 78 CO -0.25 0.04 0.63 0.00 0.00 0.00 0.00 179.25 179.67 1kfy h ALA 79 N 1.38 1.34 -0.19 0.00 0.00 -0.47 0.04 119.26 121.35 1kfy h ALA 79 Ca 0.32 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1kfy h ALA 79 Cb 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1kfy h ALA 79 CO -0.21 0.46 0.03 -0.07 0.00 0.00 0.00 179.25 179.46 1kfy h LEU 80 N 1.18 0.31 -1.00 0.00 3.38 0.49 -1.91 115.31 117.76 1kfy h LEU 80 Ca 0.41 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 58.21 1kfy h LEU 80 Cb 0.11 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 1kfy h LEU 80 CO -0.16 0.48 0.64 0.25 0.09 0.00 0.00 178.44 179.74 1kfy h LEU 81 N 0.12 0.99 0.35 1.67 5.85 -0.29 0.34 115.31 124.33 1kfy h LEU 81 Ca 0.06 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1kfy h LEU 81 Cb 0.30 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1kfy h LEU 81 CO 0.00 0.60 -0.17 -0.74 -0.34 0.00 0.00 178.44 177.80 1kfy h HIS 82 N 1.11 -0.43 -0.48 1.25 2.76 -0.68 -0.74 115.15 117.93 1kfy h HIS 82 Ca 0.45 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.65 1kfy h HIS 82 Cb 0.27 0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.33 1kfy h HIS 82 CO -0.00 -0.24 0.25 1.15 -1.30 0.00 0.00 177.93 177.78 1kfy h THR 83 N -0.50 0.97 0.05 6.26 2.02 -0.54 0.76 112.91 121.92 1kfy h THR 83 Ca -0.05 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 66.98 1kfy h THR 83 Cb 0.38 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 1kfy h THR 83 CO 0.08 0.09 -0.53 0.50 0.37 0.00 0.00 175.52 176.03 1kfy h LYS 84 N 0.49 -0.68 -0.49 6.66 1.63 -0.12 -1.51 116.57 122.56 1kfy h LYS 84 Ca 0.21 0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 59.93 1kfy h LYS 84 Cb 0.11 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 1kfy h LYS 84 CO -0.14 -0.45 -0.19 1.79 -3.45 0.00 0.00 179.45 177.01 1kfy h THR 85 N -0.70 1.27 0.09 1.00 1.35 -0.67 -3.06 112.91 112.19 1kfy h THR 85 Ca 0.00 -1.35 -0.00 0.00 -0.55 0.00 0.00 66.41 64.51 1kfy h THR 85 Cb 0.73 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1kfy h THR 85 CO -0.33 0.47 -0.06 -0.25 -0.25 0.00 0.00 175.52 175.10 1kfy h TRP 86 N 0.86 -0.15 -0.67 4.73 2.91 0.62 -2.30 115.95 121.95 1kfy h TRP 86 Ca 0.12 -0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.24 1kfy h TRP 86 Cb 0.76 0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 29.43 1kfy h TRP 86 CO 0.05 -0.09 0.45 0.74 -1.03 0.00 0.00 178.44 178.55 1kfy h PHE 87 N -0.15 0.52 -0.37 2.65 0.05 -1.28 0.66 116.94 119.04 1kfy h PHE 87 Ca -0.01 0.01 -0.09 0.00 3.82 0.00 0.00 57.97 61.70 1kfy h PHE 87 Cb 0.13 -0.17 -0.01 0.00 2.00 0.00 0.00 35.95 37.90 1kfy h PHE 87 CO -0.08 0.24 -0.13 0.93 -0.18 0.00 0.00 178.31 179.08 1kfy h GLU 88 N 0.49 0.74 0.09 1.51 5.08 -1.33 -3.34 114.58 117.82 1kfy h GLU 88 Ca 0.31 -0.30 -0.29 0.00 -1.00 0.00 0.00 59.36 58.09 1kfy h GLU 88 Cb 0.57 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1kfy h GLU 88 CO -0.10 0.91 -1.42 -0.07 -1.00 0.00 0.00 179.01 177.33 1kfy h LEU 89 N 0.53 0.31 -0.76 1.33 3.38 -0.88 -3.39 115.31 115.83 1kfy h LEU 89 Ca 0.09 -0.40 0.16 0.00 0.09 0.00 0.00 57.88 57.82 1kfy h LEU 89 Cb 0.66 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.17 1kfy h LEU 89 CO 0.04 1.33 -0.11 0.00 0.09 0.00 0.00 178.44 179.79 1kfy h ALA 90 N 0.62 0.62 0.00 1.53 0.00 -1.00 -1.65 119.26 119.38 1kfy h ALA 90 Ca -0.20 0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1kfy h ALA 90 Cb 1.97 0.52 0.00 0.00 0.00 0.00 0.00 17.79 20.28 1kfy h ALA 90 CO 0.16 -0.42 0.00 -1.00 0.00 0.00 0.00 179.25 177.98 1kfy h PRO 91 N 0.03 0.00 0.00 0.00 0.13 -1.76 -2.63 132.00 127.78 1kfy h PRO 91 Ca 0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.52 1kfy h PRO 91 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1kfy h PRO 91 CO -0.74 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 178.66 1kfy n LYS 92 N -2.70 0.96 -0.00 0.86 5.02 -0.62 -2.30 118.16 119.37 1kfy n LYS 92 Ca -0.00 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.38 1kfy n LYS 92 Cb 0.18 -1.05 -0.13 0.00 -0.02 0.00 0.00 35.03 34.01 1kfy n LYS 92 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kfy n ALA 93 N -0.55 3.98 -2.75 7.82 0.00 -0.99 -4.94 120.51 123.09 1kfy n ALA 93 Ca 0.02 -0.53 -0.33 0.00 0.00 0.00 0.00 53.44 52.60 1kfy n ALA 93 Cb 0.01 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 18.68 1kfy n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kfy s ALA 94 N -3.03 3.48 -0.72 0.00 0.00 -0.97 -5.06 121.76 115.45 1kfy s ALA 94 Ca 0.03 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.16 1kfy s ALA 94 Cb 0.14 -1.52 0.18 0.00 0.00 0.00 0.00 23.12 21.91 1kfy s ALA 94 CO 0.82 0.66 0.53 -1.71 0.00 0.00 0.00 175.76 176.05 1kfy n ASN 95 N 1.42 3.14 -4.82 0.00 2.85 -1.26 -5.03 115.26 111.56 1kfy n ASN 95 Ca -0.15 -3.22 -0.37 0.00 -0.11 0.00 0.00 54.58 50.73 1kfy n ASN 95 Cb 0.53 -0.78 -0.06 0.00 1.24 0.00 0.00 39.78 40.71 1kfy n ASN 95 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1kfy s ILE 96 N -1.51 5.33 -0.21 -1.44 1.01 -1.26 -5.02 121.20 118.10 1kfy s ILE 96 Ca 0.26 0.44 -0.03 0.00 0.00 0.00 0.00 60.65 61.31 1kfy s ILE 96 Cb -0.04 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 1kfy s ILE 96 CO -0.16 0.54 -0.07 -0.63 0.00 0.00 0.00 174.94 174.62 1kfy s ILE 97 N -0.58 3.19 -0.34 2.92 -1.09 -1.26 -0.41 121.20 123.62 1kfy s ILE 97 Ca 0.17 -0.56 -0.05 0.00 -2.23 0.00 0.00 60.65 57.97 1kfy s ILE 97 Cb -0.13 -2.43 0.05 0.00 -1.58 0.00 0.00 42.46 38.36 1kfy s ILE 97 CO 0.06 0.45 0.10 -0.69 -1.23 0.00 0.00 174.94 173.62 1kfy s VAL 98 N 1.38 3.61 0.00 2.92 1.01 0.29 -4.85 120.40 124.76 1kfy s VAL 98 Ca 0.05 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.77 1kfy s VAL 98 Cb -0.14 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1kfy s VAL 98 CO -0.04 -0.21 0.00 0.29 0.00 0.00 0.00 175.10 175.14 1kfy n LYS 99 N 4.77 0.00 -0.05 2.72 5.02 -1.26 -2.48 118.16 126.87 1kfy n LYS 99 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1kfy n LYS 99 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 1kfy n LYS 99 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1kfy n ASP 100 N 1.98 0.00 -4.24 4.39 8.00 -1.26 -5.11 116.55 120.32 1kfy n ASP 100 Ca 0.00 -0.49 -0.28 0.00 0.71 0.00 0.00 54.79 54.73 1kfy n ASP 100 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 1kfy n ASP 100 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1kfy s GLU 101 N 0.00 1.76 -0.41 -1.24 2.02 -1.03 -5.08 118.70 114.71 1kfy s GLU 101 Ca 0.00 -0.79 -0.29 0.00 0.02 0.00 0.00 54.97 53.91 1kfy s GLU 101 Cb 0.00 -1.71 0.01 0.00 0.10 0.00 0.00 34.13 32.53 1kfy s GLU 101 CO 0.00 0.47 1.33 0.21 0.02 0.00 0.00 175.26 177.29 1kfy s LYS 102 N -0.53 3.66 1.00 1.61 2.20 -1.26 -0.55 119.74 125.87 1kfy s LYS 102 Ca 0.08 0.90 -0.17 0.00 -0.36 0.00 0.00 55.97 56.42 1kfy s LYS 102 Cb -0.08 -3.97 -0.04 0.00 -1.51 0.00 0.00 37.83 32.22 1kfy s LYS 102 CO -0.01 -1.45 -0.29 -0.12 -0.36 0.00 0.00 175.35 173.12 1kfy n MET 103 N 7.90 -0.39 -3.86 4.03 0.00 0.45 -4.94 117.12 120.31 1kfy n MET 103 Ca 0.15 -0.09 -0.22 0.00 -0.00 0.00 0.00 57.70 57.54 1kfy n MET 103 Cb 0.48 -1.46 -0.04 0.00 0.00 0.00 0.00 33.22 32.20 1kfy n MET 103 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1kfy s GLY 104 N -1.54 1.91 0.17 -5.12 0.00 -1.26 -4.82 107.32 96.65 1kfy s GLY 104 Ca 0.49 -1.76 -0.16 0.00 0.00 0.00 0.00 44.72 43.29 1kfy s GLY 104 CO 0.72 -1.66 1.70 -2.55 0.00 0.00 0.00 173.10 171.30 1kfy h PRO 105 N 1.30 0.10 -0.48 2.90 0.11 -1.95 -3.29 132.00 130.70 1kfy h PRO 105 Ca -0.44 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.74 1kfy h PRO 105 Cb 1.26 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.26 1kfy h PRO 105 CO 0.60 0.07 -0.18 0.39 -0.21 0.00 0.00 178.00 178.67 1kfy n GLU 106 N -5.19 -0.11 -0.17 1.05 4.71 -1.26 -0.72 120.64 118.96 1kfy n GLU 106 Ca 0.03 0.75 -0.05 0.00 -0.01 0.00 0.00 57.16 57.88 1kfy n GLU 106 Cb 0.21 -1.11 0.05 0.00 -1.01 0.00 0.00 31.44 29.57 1kfy n GLU 106 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1kfy h PRO 107 N 0.00 0.50 -0.01 3.49 0.11 -2.00 -0.41 132.00 133.68 1kfy h PRO 107 Ca 0.17 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 1kfy h PRO 107 Cb 0.30 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 1kfy h PRO 107 CO -0.48 0.33 -0.01 0.82 -0.21 0.00 0.00 178.00 178.45 1kfy h ILE 108 N 0.52 1.40 -0.98 4.15 2.04 -1.14 -2.70 117.51 120.80 1kfy h ILE 108 Ca 0.22 -1.20 0.21 0.00 1.00 0.00 0.00 64.86 65.09 1kfy h ILE 108 Cb 0.11 2.20 -0.09 0.00 -0.74 0.00 0.00 36.82 38.31 1kfy h ILE 108 CO -0.14 0.31 0.62 0.40 0.00 0.00 0.00 178.15 179.34 1kfy h ILE 109 N -0.48 0.65 -0.19 -0.67 2.04 -1.03 -0.18 117.51 117.65 1kfy h ILE 109 Ca 0.00 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1kfy h ILE 109 Cb 0.52 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1kfy h ILE 109 CO 0.00 0.10 0.02 0.50 0.00 0.00 0.00 178.15 178.77 1kfy h LYS 110 N 0.54 0.32 -0.20 2.37 3.64 -0.96 -2.81 116.57 119.48 1kfy h LYS 110 Ca 0.54 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1kfy h LYS 110 Cb 1.15 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1kfy h LYS 110 CO -0.28 0.50 0.12 0.77 -2.27 0.00 0.00 179.45 178.28 1kfy h SER 111 N 0.10 0.24 -0.28 4.20 0.02 -0.73 -0.79 113.55 116.32 1kfy h SER 111 Ca 0.06 -0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1kfy h SER 111 Cb 0.34 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.75 1kfy h SER 111 CO 0.01 0.23 -0.11 -0.07 -1.14 0.00 0.00 176.83 175.74 1kfy h LEU 112 N 0.23 -0.38 -1.72 5.07 3.38 -1.38 0.49 115.31 121.00 1kfy h LEU 112 Ca 0.07 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1kfy h LEU 112 Cb 0.04 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1kfy h LEU 112 CO -0.01 -0.14 0.04 -0.50 0.09 0.00 0.00 178.44 177.91 1kfy h TRP 113 N -0.06 0.21 -0.15 1.13 -0.00 -1.40 0.12 115.95 115.81 1kfy h TRP 113 Ca 0.14 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 59.00 1kfy h TRP 113 Cb 0.28 -0.07 -0.00 0.00 -0.00 0.00 0.00 29.16 29.36 1kfy h TRP 113 CO -0.31 0.19 -0.03 0.00 -0.00 0.00 0.00 178.44 178.30 1kfy h ALA 114 N 1.83 0.20 -0.81 1.49 0.00 0.81 -1.81 119.26 120.98 1kfy h ALA 114 Ca 0.06 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1kfy h ALA 114 Cb 0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1kfy h ALA 114 CO -0.00 -0.05 0.52 0.28 0.00 0.00 0.00 179.25 179.99 1kfy h VAL 115 N -0.02 1.12 -0.73 0.00 2.07 0.59 -1.33 116.25 117.95 1kfy h VAL 115 Ca 0.04 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1kfy h VAL 115 Cb 0.45 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1kfy h VAL 115 CO 0.01 0.18 0.32 0.74 0.02 0.00 0.00 177.57 178.84 1kfy h THR 116 N 1.01 1.25 -0.17 2.57 2.02 -0.60 -1.30 112.91 117.68 1kfy h THR 116 Ca 0.33 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 1kfy h THR 116 Cb 0.02 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1kfy h THR 116 CO -0.12 0.30 0.07 0.58 0.37 0.00 0.00 175.52 176.73 1kfy h VAL 117 N 1.03 1.14 0.16 3.16 2.07 -0.57 0.19 116.25 123.44 1kfy h VAL 117 Ca 0.25 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1kfy h VAL 117 Cb 0.17 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1kfy h VAL 117 CO -0.02 0.13 -0.31 0.58 0.02 0.00 0.00 177.57 177.97 1kfy h VAL 118 N 0.13 0.35 -0.41 2.57 2.07 -1.11 -2.11 116.25 117.73 1kfy h VAL 118 Ca 0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.63 1kfy h VAL 118 Cb 0.14 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1kfy h VAL 118 CO -0.01 0.00 0.13 0.00 0.02 0.00 0.00 177.57 177.72 1kfy h ALA 119 N 0.09 0.48 -0.10 1.67 0.00 -1.11 0.40 119.26 120.69 1kfy h ALA 119 Ca 0.02 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1kfy h ALA 119 Cb 0.56 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1kfy h ALA 119 CO -0.15 -0.26 0.07 1.15 0.00 0.00 0.00 179.25 180.06 1kfy h THR 120 N 0.29 0.93 0.08 0.00 2.02 -0.38 0.21 112.91 116.05 1kfy h THR 120 Ca 0.19 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.23 1kfy h THR 120 Cb 0.20 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1kfy h THR 120 CO -0.21 0.00 -0.69 0.40 0.37 0.00 0.00 175.52 175.38 1kfy h ILE 121 N 0.00 1.47 -0.28 3.11 2.04 -0.60 -2.38 117.51 120.88 1kfy h ILE 121 Ca 0.05 -2.42 0.06 0.00 1.00 0.00 0.00 64.86 63.54 1kfy h ILE 121 Cb 0.19 3.09 -0.06 0.00 -0.74 0.00 0.00 36.82 39.30 1kfy h ILE 121 CO -0.00 0.64 -0.08 0.58 0.00 0.00 0.00 178.15 179.29 1kfy h VAL 122 N -0.63 0.69 -0.09 1.67 2.07 0.35 0.13 116.25 120.44 1kfy h VAL 122 Ca -0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1kfy h VAL 122 Cb 1.42 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1kfy h VAL 122 CO 0.05 0.00 0.06 0.40 0.02 0.00 0.00 177.57 178.10 1kfy h ILE 123 N -0.02 1.03 -0.25 4.57 2.04 -0.73 -1.43 117.51 122.72 1kfy h ILE 123 Ca 0.14 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1kfy h ILE 123 Cb 0.23 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1kfy h ILE 123 CO -0.30 0.03 0.12 -0.07 0.00 0.00 0.00 178.15 177.93 1kfy h LEU 124 N 0.11 0.30 0.00 1.44 3.38 -0.86 -1.50 115.31 118.19 1kfy h LEU 124 Ca 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1kfy h LEU 124 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1kfy h LEU 124 CO -0.01 0.26 0.00 0.33 0.09 0.00 0.00 178.44 179.11 1kfy n PHE 125 N -4.45 0.00 -0.32 1.13 7.35 0.40 -1.89 117.46 119.68 1kfy n PHE 125 Ca 0.01 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.87 1kfy n PHE 125 Cb 0.11 -0.38 0.36 0.00 0.35 0.00 0.00 39.48 39.92 1kfy n PHE 125 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1kfy h VAL 126 N 0.00 0.38 0.00 -2.13 2.07 -1.19 0.21 116.25 115.59 1kfy h VAL 126 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1kfy h VAL 126 Cb 0.00 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1kfy h VAL 126 CO 0.00 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1kfy n ALA 127 N -2.48 2.13 0.00 1.67 0.00 -0.57 -3.92 120.51 117.34 1kfy n ALA 127 Ca 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1kfy n ALA 127 Cb 0.78 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1kfy n ALA 127 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1kfy n LEU 128 N -1.47 0.90 0.10 0.00 4.77 0.53 -4.89 117.00 116.95 1kfy n LEU 128 Ca 0.07 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.16 1kfy n LEU 128 Cb 0.27 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1kfy n LEU 128 CO 0.22 0.06 0.12 1.88 -1.33 0.00 0.00 177.39 178.33 1kfy h TYR 129 N 0.00 0.00 -0.03 -1.77 0.05 -1.14 -3.51 116.97 110.58 1kfy h TYR 129 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1kfy h TYR 129 Cb 0.64 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.38 1kfy h TYR 129 CO 0.00 0.00 0.00 1.87 -1.05 0.00 0.00 178.16 178.98