#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr h LYS 3 N 0.00 0.52 -0.20 -0.78 3.64 -2.05 -2.09 116.57 115.61 3kcr h LYS 3 Ca 0.00 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 3kcr h LYS 3 Cb 0.00 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3kcr h LYS 3 CO 0.00 0.34 0.14 0.78 -2.27 0.00 0.00 179.45 178.45 3kcr h GLY 4 N 0.54 0.04 1.50 5.01 0.00 -2.05 0.24 103.07 108.36 3kcr h GLY 4 Ca 0.22 -0.01 -0.18 0.00 0.00 0.00 0.00 47.33 47.35 3kcr h GLY 4 CO -0.06 0.01 -0.67 1.70 0.00 0.00 0.00 176.54 177.52 3kcr h LYS 5 N 0.04 0.50 -0.21 4.80 3.64 -1.88 -3.07 116.57 120.39 3kcr h LYS 5 Ca 0.09 -0.37 -0.07 0.00 -1.27 0.00 0.00 60.65 59.03 3kcr h LYS 5 Cb 0.33 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3kcr h LYS 5 CO -0.01 1.00 -0.16 0.00 -2.27 0.00 0.00 179.45 178.02 3kcr h ALA 6 N 0.91 0.31 -0.42 5.00 0.00 -0.40 -2.21 119.26 122.43 3kcr h ALA 6 Ca -0.02 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 3kcr h ALA 6 Cb 1.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3kcr h ALA 6 CO 0.12 0.20 -0.06 1.79 0.00 0.00 0.00 179.25 181.30 3kcr h THR 7 N 0.17 1.24 -0.40 0.00 1.35 -0.75 -0.61 112.91 113.91 3kcr h THR 7 Ca 0.04 -1.04 -0.10 0.00 -0.55 0.00 0.00 66.41 64.76 3kcr h THR 7 Cb 0.68 0.98 -0.02 0.00 -1.73 0.00 0.00 68.15 68.06 3kcr h THR 7 CO 0.04 0.36 -0.16 1.62 -0.25 0.00 0.00 175.52 177.13 3kcr h VAL 8 N 0.66 1.26 -0.59 6.82 3.04 -1.57 -1.04 116.25 124.84 3kcr h VAL 8 Ca 0.12 -1.22 0.00 0.00 -1.01 0.00 0.00 66.70 64.59 3kcr h VAL 8 Cb 0.49 1.12 -0.03 0.00 -2.01 0.00 0.00 31.29 30.87 3kcr h VAL 8 CO 0.03 0.41 0.37 0.00 -1.01 0.00 0.00 177.57 177.37 3kcr h ALA 9 N 1.16 0.74 -0.30 3.17 0.00 -1.03 -2.74 119.26 120.27 3kcr h ALA 9 Ca 0.11 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 3kcr h ALA 9 Cb 0.64 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kcr h ALA 9 CO 0.04 0.20 -0.46 0.74 0.00 0.00 0.00 179.25 179.78 3kcr h PHE 10 N 0.79 0.95 0.00 0.00 0.04 -0.84 -3.03 116.94 114.86 3kcr h PHE 10 Ca 0.21 -0.31 0.00 0.00 2.80 0.00 0.00 57.97 60.68 3kcr h PHE 10 Cb -0.05 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 37.91 3kcr h PHE 10 CO -0.03 1.09 0.00 0.00 -0.60 0.00 0.00 178.31 178.77 3kcr n ALA 11 N -2.54 2.28 0.04 2.45 0.00 -0.42 -1.38 120.51 120.93 3kcr n ALA 11 Ca -0.03 -0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 3kcr n ALA 11 Cb 0.57 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.49 3kcr n ALA 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3kcr h ARG 12 N 0.00 -0.02 -0.25 0.00 2.43 -1.36 -2.61 114.38 112.56 3kcr h ARG 12 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3kcr h ARG 12 Cb 0.65 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 3kcr h ARG 12 CO 0.00 -0.01 -0.03 0.93 -1.51 0.00 0.00 179.97 179.35 3kcr h GLU 13 N -0.02 0.46 -0.25 0.20 3.07 -1.21 0.24 114.58 117.06 3kcr h GLU 13 Ca 0.01 -0.16 -0.12 0.00 -0.50 0.00 0.00 59.36 58.58 3kcr h GLU 13 Cb 0.04 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3kcr h GLU 13 CO -0.02 0.66 -0.37 0.00 -1.40 0.00 0.00 179.01 177.88 3kcr h ALA 14 N 0.78 0.90 -0.45 3.43 0.00 -1.49 0.16 119.26 122.59 3kcr h ALA 14 Ca 0.07 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 3kcr h ALA 14 Cb 0.47 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3kcr h ALA 14 CO 0.02 0.63 -0.04 -0.09 0.00 0.00 0.00 179.25 179.77 3kcr h ARG 15 N 0.46 0.77 -0.34 0.00 1.12 -1.08 0.04 114.38 115.34 3kcr h ARG 15 Ca 0.05 -0.22 -0.09 0.00 -1.11 0.00 0.00 59.98 58.60 3kcr h ARG 15 Cb 0.85 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.72 3kcr h ARG 15 CO 0.07 0.80 -0.18 1.79 -3.11 0.00 0.00 179.97 179.35 3kcr h THR 16 N 0.71 1.26 -0.99 0.20 1.35 -0.74 -1.50 112.91 113.19 3kcr h THR 16 Ca 0.13 -1.20 0.08 0.00 -0.55 0.00 0.00 66.41 64.88 3kcr h THR 16 Cb 0.49 1.19 -0.07 0.00 -1.73 0.00 0.00 68.15 68.03 3kcr h THR 16 CO 0.03 0.40 0.64 -0.08 -0.25 0.00 0.00 175.52 176.25 3kcr h GLU 17 N 0.56 1.07 0.00 4.72 4.57 -0.43 -0.55 114.58 124.51 3kcr h GLU 17 Ca 0.09 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3kcr h GLU 17 Cb 0.62 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 3kcr h GLU 17 CO 0.04 0.71 0.00 0.28 -1.18 0.00 0.00 179.01 178.86 3kcr h VAL 18 N 1.10 0.00 0.00 0.32 2.07 -0.56 -2.05 116.25 117.12 3kcr h VAL 18 Ca 0.45 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3kcr h VAL 18 Cb 0.28 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3kcr h VAL 18 CO -0.20 0.00 -0.18 -0.09 0.02 0.00 0.00 177.57 177.12 3kcr h ARG 19 N 0.00 0.00 -0.13 1.57 2.43 -0.09 -2.04 114.38 116.12 3kcr h ARG 19 Ca 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 3kcr h ARG 19 Cb 0.72 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3kcr h ARG 19 CO 0.00 0.18 -0.48 -0.22 -1.51 0.00 0.00 179.97 177.94 3kcr h LYS 20 N 0.00 0.33 -0.01 0.20 3.64 -0.59 -0.88 116.57 119.26 3kcr h LYS 20 Ca -0.00 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3kcr h LYS 20 Cb 0.92 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3kcr h LYS 20 CO 0.02 0.74 -0.52 1.55 -2.27 0.00 0.00 179.45 178.97 3kcr n VAL 21 N -3.97 0.00 0.19 2.00 3.14 -1.17 -3.09 118.33 115.42 3kcr n VAL 21 Ca -0.02 -0.24 0.11 0.00 -2.96 0.00 0.00 64.34 61.23 3kcr n VAL 21 Cb 0.54 1.15 0.12 0.00 -1.06 0.00 0.00 33.84 34.59 3kcr n VAL 21 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 3kcr h ILE 22 N 1.42 0.10 -0.50 1.55 2.04 -1.21 -3.38 117.51 117.53 3kcr h ILE 22 Ca 0.00 -1.14 -0.04 0.00 1.00 0.00 0.00 64.86 64.67 3kcr h ILE 22 Cb 0.56 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 3kcr h ILE 22 CO 0.00 0.06 0.15 -0.25 0.00 0.00 0.00 178.15 178.10 3kcr h TRP 23 N 0.00 0.81 -0.83 1.37 7.01 -1.09 -3.14 115.95 120.08 3kcr h TRP 23 Ca -0.00 -0.09 -0.52 0.00 2.11 0.00 0.00 58.89 60.39 3kcr h TRP 23 Cb 1.05 -0.23 -0.28 0.00 -2.10 0.00 0.00 29.16 27.60 3kcr h TRP 23 CO 0.00 0.71 0.33 -0.35 -2.79 0.00 0.00 178.44 176.34 3kcr n PRO 24 N -4.49 2.60 -0.34 2.65 -0.04 -1.26 -2.75 135.00 131.36 3kcr n PRO 24 Ca 0.01 -3.37 0.12 0.00 -0.04 0.00 0.00 63.50 60.21 3kcr n PRO 24 Cb 0.20 -2.17 0.30 0.00 -0.04 0.00 0.00 33.50 31.79 3kcr n PRO 24 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3kcr n THR 25 N -0.97 0.92 0.00 0.52 -1.04 -1.19 -4.96 114.28 107.57 3kcr n THR 25 Ca 0.53 -0.96 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 3kcr n THR 25 Cb 1.01 0.57 0.00 0.00 -1.82 0.00 0.00 70.33 70.09 3kcr n THR 25 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3kcr n ARG 26 N 1.58 0.00 -4.02 -2.82 3.00 -1.11 -4.49 116.66 108.80 3kcr n ARG 26 Ca 0.23 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.77 3kcr n ARG 26 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.05 3kcr n ARG 26 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3kcr n LYS 27 N 0.00 -2.14 0.00 5.56 2.85 -1.26 -3.82 118.16 119.36 3kcr n LYS 27 Ca 0.00 0.30 0.00 0.00 -1.05 0.00 0.00 58.31 57.56 3kcr n LYS 27 Cb 0.00 -4.04 0.00 0.00 -0.65 0.00 0.00 35.03 30.34 3kcr n LYS 27 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3kcr n PRO 28 N -4.49 0.00 -0.10 -1.58 -0.02 -1.26 -4.55 135.00 123.01 3kcr n PRO 28 Ca -0.27 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.20 3kcr n PRO 28 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.14 3kcr n PRO 28 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3kcr n THR 29 N 0.00 -0.14 -1.99 3.45 -2.24 -1.25 -1.39 114.28 110.71 3kcr n THR 29 Ca 0.00 0.59 0.00 0.00 -2.27 0.00 0.00 64.05 62.37 3kcr n THR 29 Cb 0.00 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 3kcr n THR 29 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3kcr n LYS 30 N -4.35 0.00 0.12 -0.78 2.85 -1.26 -4.94 118.16 109.80 3kcr n LYS 30 Ca 0.02 -0.37 -0.21 0.00 -1.05 0.00 0.00 58.31 56.70 3kcr n LYS 30 Cb 0.09 -0.19 -0.14 0.00 -0.65 0.00 0.00 35.03 34.14 3kcr n LYS 30 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3kcr h ASP 31 N 0.00 0.71 0.34 -5.58 5.19 -1.53 0.20 116.42 115.75 3kcr h ASP 31 Ca 0.00 -0.73 -0.01 0.00 -0.62 0.00 0.00 57.03 55.67 3kcr h ASP 31 Cb 1.15 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 40.40 3kcr h ASP 31 CO 0.00 1.56 -0.47 -0.08 -3.12 0.00 0.00 179.24 177.14 3kcr h GLU 32 N 0.15 -0.81 0.09 3.56 4.81 -1.74 -2.39 114.58 118.25 3kcr h GLU 32 Ca -0.20 0.06 -0.28 0.00 -0.13 0.00 0.00 59.36 58.80 3kcr h GLU 32 Cb 2.05 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 31.60 3kcr h GLU 32 CO 0.24 -0.54 -1.39 -0.92 -0.73 0.00 0.00 179.01 175.68 3kcr h TYR 33 N -0.84 0.36 -0.68 0.92 5.03 -1.74 -2.41 116.97 117.61 3kcr h TYR 33 Ca -0.04 -0.26 0.08 0.00 2.58 0.00 0.00 58.73 61.09 3kcr h TYR 33 Cb 0.76 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.98 3kcr h TYR 33 CO -0.30 1.27 0.45 1.25 -1.32 0.00 0.00 178.16 179.50 3kcr h LEU 34 N 0.05 0.55 -0.57 2.82 5.85 -0.72 -1.26 115.31 122.03 3kcr h LEU 34 Ca -0.18 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.57 3kcr h LEU 34 Cb 1.97 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.85 3kcr h LEU 34 CO 0.16 0.34 0.35 0.00 -0.34 0.00 0.00 178.44 178.95 3kcr h ALA 35 N 1.64 0.74 -0.15 1.25 0.00 -0.92 0.20 119.26 122.03 3kcr h ALA 35 Ca 0.31 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3kcr h ALA 35 Cb 0.39 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kcr h ALA 35 CO -0.10 0.07 -0.15 -0.24 0.00 0.00 0.00 179.25 178.83 3kcr h VAL 36 N 0.68 1.35 -0.78 0.00 3.04 -1.39 -2.90 116.25 116.25 3kcr h VAL 36 Ca 0.23 -1.31 0.06 0.00 -1.01 0.00 0.00 66.70 64.67 3kcr h VAL 36 Cb 0.03 1.88 -0.05 0.00 -2.01 0.00 0.00 31.29 31.14 3kcr h VAL 36 CO -0.10 0.38 0.51 0.00 -1.01 0.00 0.00 177.57 177.35 3kcr h ALA 37 N 0.61 1.62 0.16 3.17 0.00 -0.99 -0.42 119.26 123.41 3kcr h ALA 37 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kcr h ALA 37 Cb 0.68 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3kcr h ALA 37 CO 0.04 0.27 -0.08 -0.22 0.00 0.00 0.00 179.25 179.26 3kcr h LYS 38 N 0.87 -0.21 0.00 0.00 3.64 -0.62 -2.34 116.57 117.91 3kcr h LYS 38 Ca 0.33 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.62 3kcr h LYS 38 Cb 0.19 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3kcr h LYS 38 CO -0.11 0.10 -0.48 -0.24 -2.27 0.00 0.00 179.45 176.45 3kcr h VAL 39 N -0.52 0.87 -0.15 2.00 3.04 -1.29 0.14 116.25 120.33 3kcr h VAL 39 Ca -0.02 -2.10 -0.03 0.00 -1.01 0.00 0.00 66.70 63.54 3kcr h VAL 39 Cb 0.40 2.34 -0.00 0.00 -2.01 0.00 0.00 31.29 32.02 3kcr h VAL 39 CO 0.04 0.47 -0.03 0.71 -1.01 0.00 0.00 177.57 177.75 3kcr h THR 40 N 0.00 1.28 0.00 3.17 1.35 -1.19 -2.16 112.91 115.36 3kcr h THR 40 Ca -0.00 -0.96 -0.09 0.00 -0.55 0.00 0.00 66.41 64.81 3kcr h THR 40 Cb 1.30 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 69.33 3kcr h THR 40 CO 0.06 0.28 -0.43 0.00 -0.25 0.00 0.00 175.52 175.19 3kcr h ALA 41 N 0.72 0.76 -0.87 6.62 0.00 -1.12 -0.60 119.26 124.76 3kcr h ALA 41 Ca 0.04 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.57 3kcr h ALA 41 Cb 0.45 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3kcr h ALA 41 CO 0.01 0.53 0.57 1.25 0.00 0.00 0.00 179.25 181.62 3kcr h LEU 42 N 0.00 1.01 0.08 0.00 5.85 -0.79 -1.39 115.31 120.06 3kcr h LEU 42 Ca -0.00 -0.03 -0.23 0.00 0.84 0.00 0.00 57.88 58.46 3kcr h LEU 42 Cb 1.24 -0.25 0.02 0.00 0.37 0.00 0.00 40.66 42.04 3kcr h LEU 42 CO 0.06 0.73 -0.95 1.23 -0.34 0.00 0.00 178.44 179.17 3kcr h GLY 43 N 1.19 0.56 1.79 3.75 0.00 -0.75 -3.01 103.07 106.60 3kcr h GLY 43 Ca 0.32 -1.14 -0.03 0.00 0.00 0.00 0.00 47.33 46.48 3kcr h GLY 43 CO -0.07 1.00 -0.02 -2.22 0.00 0.00 0.00 176.54 175.24 3kcr h ILE 44 N 0.03 1.13 -0.05 2.60 2.04 -1.16 -2.84 117.51 119.26 3kcr h ILE 44 Ca -0.14 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 3kcr h ILE 44 Cb 1.66 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 38.75 3kcr h ILE 44 CO 0.18 0.17 0.02 -1.28 0.00 0.00 0.00 178.15 177.24 3kcr h SER 45 N 0.26 0.07 -0.50 1.72 0.87 -1.24 -1.74 113.55 112.99 3kcr h SER 45 Ca 0.06 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.45 3kcr h SER 45 Cb 0.21 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 3kcr h SER 45 CO 0.01 0.19 0.21 0.25 -0.53 0.00 0.00 176.83 176.96 3kcr h LEU 46 N -0.06 0.68 -0.62 2.23 5.85 -1.37 0.81 115.31 122.84 3kcr h LEU 46 Ca 0.02 -0.16 -0.13 0.00 0.84 0.00 0.00 57.88 58.45 3kcr h LEU 46 Cb 0.14 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3kcr h LEU 46 CO -0.00 0.65 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.41 3kcr h LEU 47 N 0.67 0.83 -0.07 2.25 4.07 -1.58 -1.33 115.31 120.15 3kcr h LEU 47 Ca 0.17 -0.32 -0.20 0.00 0.08 0.00 0.00 57.88 57.61 3kcr h LEU 47 Cb 0.17 -0.23 0.01 0.00 1.08 0.00 0.00 40.66 41.69 3kcr h LEU 47 CO -0.02 1.05 -0.73 1.23 -1.08 0.00 0.00 178.44 178.89 3kcr h GLY 48 N 0.94 0.68 1.19 0.83 0.00 -1.14 -2.43 103.07 103.14 3kcr h GLY 48 Ca 0.09 -1.07 -0.11 0.00 0.00 0.00 0.00 47.33 46.24 3kcr h GLY 48 CO 0.07 0.95 -0.11 1.19 0.00 0.00 0.00 176.54 178.63 3kcr h ILE 49 N 0.25 1.27 -0.31 2.60 2.10 -0.83 -0.15 117.51 122.44 3kcr h ILE 49 Ca -0.07 -1.24 -0.09 0.00 1.08 0.00 0.00 64.86 64.53 3kcr h ILE 49 Cb 1.39 0.99 -0.02 0.00 -1.09 0.00 0.00 36.82 38.10 3kcr h ILE 49 CO 0.15 0.43 -0.20 -0.29 -1.08 0.00 0.00 178.15 177.16 3kcr h ILE 50 N 0.85 1.26 0.00 2.19 2.10 -1.31 -1.25 117.51 121.34 3kcr h ILE 50 Ca 0.13 -1.21 -0.04 0.00 1.08 0.00 0.00 64.86 64.82 3kcr h ILE 50 Cb 0.65 1.24 -0.01 0.00 -1.09 0.00 0.00 36.82 37.62 3kcr h ILE 50 CO 0.05 0.40 -0.18 1.23 -1.08 0.00 0.00 178.15 178.56 3kcr h GLY 51 N 0.99 0.00 0.77 8.18 0.00 -1.28 -3.21 103.07 108.52 3kcr h GLY 51 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.20 3kcr h GLY 51 CO 0.04 0.00 -0.92 -1.82 0.00 0.00 0.00 176.54 173.85 3kcr h TYR 52 N 0.00 0.61 -0.59 5.60 5.03 -0.29 -1.86 116.97 125.48 3kcr h TYR 52 Ca -0.00 -0.45 -0.00 0.00 2.58 0.00 0.00 58.73 60.86 3kcr h TYR 52 Cb 0.50 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.72 3kcr h TYR 52 CO 0.00 1.35 0.36 0.97 -1.32 0.00 0.00 178.16 179.52 3kcr h ILE 53 N -0.29 1.17 0.00 1.81 2.10 -1.31 -2.17 117.51 118.82 3kcr h ILE 53 Ca -0.16 -0.36 -0.00 0.00 1.08 0.00 0.00 64.86 65.42 3kcr h ILE 53 Cb 1.73 0.32 0.00 0.00 -1.09 0.00 0.00 36.82 37.78 3kcr h ILE 53 CO 0.17 0.17 -0.00 -0.29 -1.08 0.00 0.00 178.15 177.12 3kcr h ILE 54 N 0.81 1.61 -0.11 2.19 2.10 -1.67 -3.40 117.51 119.04 3kcr h ILE 54 Ca 0.21 -1.85 -0.15 0.00 1.08 0.00 0.00 64.86 64.15 3kcr h ILE 54 Cb -0.04 2.86 0.01 0.00 -1.09 0.00 0.00 36.82 38.56 3kcr h ILE 54 CO -0.04 0.48 -0.50 -0.74 -1.08 0.00 0.00 178.15 176.26 3kcr h HIS 55 N -0.80 0.72 0.00 2.19 2.76 -0.99 -1.23 115.15 117.79 3kcr h HIS 55 Ca -0.00 -0.31 0.00 0.00 -2.20 0.00 0.00 60.37 57.86 3kcr h HIS 55 Cb 0.79 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.63 3kcr h HIS 55 CO 0.20 1.09 0.00 1.55 -1.30 0.00 0.00 177.93 179.47 3kcr n VAL 56 N -4.23 0.00 -0.27 5.26 3.14 -0.85 -1.57 118.33 119.82 3kcr n VAL 56 Ca -0.08 0.97 0.23 0.00 -2.96 0.00 0.00 64.34 62.51 3kcr n VAL 56 Cb 0.60 -1.85 0.40 0.00 -1.06 0.00 0.00 33.84 31.93 3kcr n VAL 56 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3kcr n PRO 57 N -1.48 -0.02 0.27 1.45 -0.02 -1.26 -0.99 135.00 132.94 3kcr n PRO 57 Ca 0.00 0.76 0.15 0.00 -2.02 0.00 0.00 63.50 62.39 3kcr n PRO 57 Cb 0.00 -1.48 0.73 0.00 -0.02 0.00 0.00 33.50 32.73 3kcr n PRO 57 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kcr h ALA 58 N 0.99 1.12 -0.02 3.55 0.00 -1.07 -2.47 119.26 121.36 3kcr h ALA 58 Ca 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3kcr h ALA 58 Cb 1.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3kcr h ALA 58 CO -0.31 0.12 -0.35 0.25 0.00 0.00 0.00 179.25 178.96 3kcr n THR 59 N -3.37 0.00 -0.14 0.00 -2.24 -0.16 -2.54 114.28 105.82 3kcr n THR 59 Ca -0.01 -0.32 -0.10 0.00 -2.27 0.00 0.00 64.05 61.35 3kcr n THR 59 Cb 0.27 1.32 -0.01 0.00 -2.10 0.00 0.00 70.33 69.81 3kcr n THR 59 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3kcr h TYR 60 N 3.06 0.72 -0.04 4.78 -0.00 -0.94 -2.60 116.97 121.95 3kcr h TYR 60 Ca 0.00 -0.10 -0.15 0.00 -0.00 0.00 0.00 58.73 58.48 3kcr h TYR 60 Cb 0.82 -0.20 0.01 0.00 -0.00 0.00 0.00 36.73 37.37 3kcr h TYR 60 CO 0.00 0.70 -0.56 0.97 -0.00 0.00 0.00 178.16 179.27 3kcr h ILE 61 N 0.53 1.40 0.00 1.81 2.10 -1.53 -2.12 117.51 119.69 3kcr h ILE 61 Ca 0.12 -1.97 0.00 0.00 1.08 0.00 0.00 64.86 64.10 3kcr h ILE 61 Cb 0.36 2.42 0.00 0.00 -1.09 0.00 0.00 36.82 38.52 3kcr h ILE 61 CO 0.01 0.58 0.00 0.50 -1.08 0.00 0.00 178.15 178.16 3kcr h LYS 62 N -0.01 0.00 0.00 2.19 3.64 -1.62 -2.77 116.57 118.01 3kcr h LYS 62 Ca -0.06 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.02 3kcr h LYS 62 Cb 1.24 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.01 3kcr h LYS 62 CO 0.11 0.00 -1.84 0.41 -2.27 0.00 0.00 179.45 175.87 3kcr n GLY 63 N -0.68 -1.00 0.05 5.01 0.00 -0.98 -3.95 105.19 103.64 3kcr n GLY 63 Ca -0.01 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3kcr n GLY 63 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3kcr n ILE 64 N -2.99 0.28 -3.02 -0.61 3.06 -0.81 -4.28 119.36 110.99 3kcr n ILE 64 Ca -0.20 -0.21 -0.15 0.00 -2.50 0.00 0.00 62.75 59.69 3kcr n ILE 64 Cb 1.07 -0.09 -0.03 0.00 0.54 0.00 0.00 39.64 41.14 3kcr n ILE 64 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 3kcr n LEU 65 N -1.96 -1.76 0.00 9.51 7.94 -1.13 -5.10 117.00 124.50 3kcr n LEU 65 Ca 0.04 -3.78 0.08 0.00 -1.11 0.00 0.00 56.01 51.23 3kcr n LEU 65 Cb 0.41 0.70 0.45 0.00 0.53 0.00 0.00 43.42 45.51 3kcr n LEU 65 CO 0.35 1.96 0.66 1.17 -1.11 0.00 0.00 177.39 180.43