#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr s LYS 2 N 0.00 2.83 0.67 2.12 -2.85 -1.26 -5.12 119.74 116.13 3kcr s LYS 2 Ca 0.00 -0.80 -0.17 0.00 -1.00 0.00 0.00 55.97 54.00 3kcr s LYS 2 Cb 0.00 -2.17 0.01 0.00 -2.06 0.00 0.00 37.83 33.60 3kcr s LYS 2 CO 0.00 0.13 1.22 -0.08 0.10 0.00 0.00 175.35 176.72 3kcr s THR 3 N 0.45 2.38 0.38 3.79 -1.32 -1.26 -4.96 115.64 115.10 3kcr s THR 3 Ca -0.17 0.21 -0.25 0.00 -1.21 0.00 0.00 61.69 60.27 3kcr s THR 3 Cb -0.17 -2.92 -0.12 0.00 -1.51 0.00 0.00 72.50 67.78 3kcr s THR 3 CO 0.07 -0.08 0.90 0.33 -2.21 0.00 0.00 174.62 173.63 3kcr n PHE 4 N -2.23 0.81 -3.76 9.09 -0.00 -1.26 -5.02 117.46 115.10 3kcr n PHE 4 Ca 0.14 0.62 -0.14 0.00 -0.00 0.00 0.00 57.45 58.07 3kcr n PHE 4 Cb 0.50 -2.18 -0.15 0.00 -0.00 0.00 0.00 39.48 37.65 3kcr n PHE 4 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3kcr s THR 5 N -1.24 -0.05 0.83 -2.13 -4.23 -1.26 -4.62 115.64 102.93 3kcr s THR 5 Ca 0.62 0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 61.21 3kcr s THR 5 Cb -0.62 -0.19 0.14 0.00 1.34 0.00 0.00 72.50 73.16 3kcr s THR 5 CO 0.58 0.08 1.17 0.00 -0.54 0.00 0.00 174.62 175.90 3kcr s ALA 6 N 1.10 2.79 0.20 3.99 0.00 -1.21 -4.99 121.76 123.64 3kcr s ALA 6 Ca -0.09 -1.16 0.09 0.00 0.00 0.00 0.00 51.96 50.81 3kcr s ALA 6 Cb -0.11 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 3kcr s ALA 6 CO -0.05 -1.88 -0.09 0.15 0.00 0.00 0.00 175.76 173.90 3kcr s LYS 7 N -5.55 2.07 0.00 0.00 1.02 -1.26 -4.77 119.74 111.25 3kcr s LYS 7 Ca 0.68 -1.33 0.21 0.00 0.02 0.00 0.00 55.97 55.54 3kcr s LYS 7 Cb -0.07 -2.13 0.55 0.00 -0.52 0.00 0.00 37.83 35.66 3kcr s LYS 7 CO 0.49 0.41 1.45 -0.35 -0.92 0.00 0.00 175.35 176.43 3kcr n PRO 8 N -0.18 2.17 -0.20 -1.68 -0.04 -1.26 -4.05 135.00 129.77 3kcr n PRO 8 Ca -0.10 -1.78 0.08 0.00 -0.04 0.00 0.00 63.50 61.66 3kcr n PRO 8 Cb 0.56 -1.45 0.22 0.00 -0.04 0.00 0.00 33.50 32.79 3kcr n PRO 8 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kcr n GLU 9 N 0.99 1.98 -4.76 0.54 1.02 -1.26 -4.39 120.64 114.75 3kcr n GLU 9 Ca 0.18 -1.51 -0.24 0.00 -0.02 0.00 0.00 57.16 55.56 3kcr n GLU 9 Cb 0.48 -1.35 -0.15 0.00 -0.02 0.00 0.00 31.44 30.39 3kcr n GLU 9 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3kcr s THR 10 N -1.48 1.37 0.07 2.62 -4.23 -1.26 -5.16 115.64 107.57 3kcr s THR 10 Ca 0.30 -0.81 0.07 0.00 -1.18 0.00 0.00 61.69 60.07 3kcr s THR 10 Cb 0.16 -1.15 -0.03 0.00 1.34 0.00 0.00 72.50 72.81 3kcr s THR 10 CO 0.21 0.33 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.75 3kcr s VAL 11 N -0.49 1.48 0.07 2.29 1.01 -1.26 -4.94 120.40 118.56 3kcr s VAL 11 Ca 0.06 -1.31 -0.32 0.00 0.00 0.00 0.00 61.98 60.41 3kcr s VAL 11 Cb -0.07 -1.34 -0.19 0.00 0.00 0.00 0.00 36.38 34.78 3kcr s VAL 11 CO -0.00 -0.01 1.60 0.50 0.00 0.00 0.00 175.10 177.19 3kcr h LYS 12 N 4.49 -0.86 0.00 2.72 1.63 -1.79 -3.46 116.57 119.30 3kcr h LYS 12 Ca -0.43 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 3kcr h LYS 12 Cb 1.18 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 33.00 3kcr h LYS 12 CO 0.42 -0.56 0.00 0.54 -3.45 0.00 0.00 179.45 176.39 3kcr n ARG 13 N -5.47 0.00 0.00 1.90 1.74 -0.99 -4.94 116.66 108.90 3kcr n ARG 13 Ca -0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 3kcr n ARG 13 Cb 0.36 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.80 3kcr n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3kcr n ASP 14 N -0.06 -1.44 -4.67 0.55 10.43 -1.26 -3.38 116.55 116.73 3kcr n ASP 14 Ca 0.00 0.00 -0.38 0.00 2.57 0.00 0.00 54.79 56.98 3kcr n ASP 14 Cb 0.00 0.81 -0.07 0.00 1.84 0.00 0.00 41.12 43.70 3kcr n ASP 14 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3kcr s TRP 15 N -1.05 3.38 0.24 1.24 0.52 -1.26 -0.86 118.94 121.15 3kcr s TRP 15 Ca 0.00 0.69 0.02 0.00 0.02 0.00 0.00 56.10 56.82 3kcr s TRP 15 Cb 0.00 -2.58 -0.05 0.00 -1.15 0.00 0.00 33.47 29.69 3kcr s TRP 15 CO 0.00 -0.03 0.06 0.71 0.02 0.00 0.00 176.95 177.71 3kcr s TYR 16 N 1.38 1.48 -0.05 -1.98 1.51 -0.39 -0.39 117.35 118.91 3kcr s TYR 16 Ca 0.21 -1.11 -0.02 0.00 -1.01 0.00 0.00 57.07 55.15 3kcr s TYR 16 Cb -0.15 -0.87 0.04 0.00 -0.11 0.00 0.00 41.96 40.87 3kcr s TYR 16 CO 0.09 -0.26 0.10 0.14 -1.11 0.00 0.00 175.55 174.51 3kcr s VAL 17 N -3.68 -0.09 0.05 0.71 -7.23 -0.94 -1.00 120.40 108.22 3kcr s VAL 17 Ca 0.34 0.25 0.07 0.00 -1.81 0.00 0.00 61.98 60.82 3kcr s VAL 17 Cb 0.07 -0.19 -0.03 0.00 0.56 0.00 0.00 36.38 36.80 3kcr s VAL 17 CO 0.11 0.10 -0.20 0.54 -0.31 0.00 0.00 175.10 175.34 3kcr s VAL 18 N 1.41 1.60 0.38 1.32 0.11 0.49 -1.91 120.40 123.81 3kcr s VAL 18 Ca -0.06 -1.21 0.05 0.00 -2.93 0.00 0.00 61.98 57.84 3kcr s VAL 18 Cb -0.12 -1.40 -0.07 0.00 -1.53 0.00 0.00 36.38 33.26 3kcr s VAL 18 CO -0.05 0.15 0.04 -1.81 -3.33 0.00 0.00 175.10 170.10 3kcr s ASP 19 N -1.24 3.16 -0.14 3.54 1.11 -1.26 -1.51 116.67 120.33 3kcr s ASP 19 Ca 0.07 -1.41 -0.09 0.00 0.18 0.00 0.00 52.55 51.30 3kcr s ASP 19 Cb -0.09 -0.15 0.05 0.00 1.07 0.00 0.00 42.92 43.80 3kcr s ASP 19 CO 0.02 -0.57 0.34 0.00 1.18 0.00 0.00 175.17 176.13 3kcr s ALA 20 N -3.01 -0.83 -0.30 5.23 0.00 0.89 -3.39 121.76 120.35 3kcr s ALA 20 Ca 0.33 1.17 -0.17 0.00 0.00 0.00 0.00 51.96 53.29 3kcr s ALA 20 Cb 0.08 -0.71 0.19 0.00 0.00 0.00 0.00 23.12 22.68 3kcr s ALA 20 CO 0.16 -0.21 1.18 0.99 0.00 0.00 0.00 175.76 177.88 3kcr s THR 21 N 0.93 -0.16 0.00 0.00 2.01 -1.26 -2.88 115.64 114.28 3kcr s THR 21 Ca -0.06 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.94 3kcr s THR 21 Cb -0.07 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.44 3kcr s THR 21 CO -0.07 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.47 3kcr n GLY 22 N 4.34 0.59 3.74 4.40 0.00 -0.58 -4.77 105.19 112.91 3kcr n GLY 22 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 3kcr n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcr s LYS 23 N -0.02 2.71 0.23 1.61 -0.14 -0.91 -3.90 119.74 119.32 3kcr s LYS 23 Ca 0.00 -0.88 0.01 0.00 -1.36 0.00 0.00 55.97 53.74 3kcr s LYS 23 Cb 0.00 -2.57 0.25 0.00 -1.68 0.00 0.00 37.83 33.83 3kcr s LYS 23 CO 0.00 0.50 1.60 1.79 -0.76 0.00 0.00 175.35 178.48 3kcr h THR 24 N 2.41 1.32 -2.56 2.17 1.35 -1.83 -3.24 112.91 112.52 3kcr h THR 24 Ca -0.47 -1.66 -0.08 0.00 -0.55 0.00 0.00 66.41 63.64 3kcr h THR 24 Cb 1.19 1.69 0.04 0.00 -1.73 0.00 0.00 68.15 69.33 3kcr h THR 24 CO 0.62 0.51 -0.17 0.18 -0.25 0.00 0.00 175.52 176.41 3kcr n LEU 25 N -3.99 -2.41 0.02 3.87 4.77 -1.26 -4.75 117.00 113.26 3kcr n LEU 25 Ca -0.02 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3kcr n LEU 25 Cb 0.54 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 3kcr n LEU 25 CO 0.45 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3kcr n GLY 26 N -0.96 -0.83 0.19 -0.72 0.00 -1.26 -4.25 105.19 97.36 3kcr n GLY 26 Ca -0.04 0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.23 3kcr n GLY 26 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kcr h ARG 27 N 0.00 0.00 0.03 1.61 2.47 -1.99 -0.89 114.38 115.61 3kcr h ARG 27 Ca 0.00 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.51 3kcr h ARG 27 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 3kcr h ARG 27 CO 0.00 0.00 -1.14 1.25 0.56 0.00 0.00 179.97 180.64 3kcr h LEU 28 N 0.00 0.11 -1.13 3.04 5.85 -1.91 -3.42 115.31 117.85 3kcr h LEU 28 Ca 0.00 -0.69 -0.04 0.00 0.84 0.00 0.00 57.88 57.99 3kcr h LEU 28 Cb 0.56 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3kcr h LEU 28 CO 0.00 1.46 0.12 0.00 -0.34 0.00 0.00 178.44 179.69 3kcr h ALA 29 N -0.28 1.30 0.00 1.25 0.00 -1.62 -1.96 119.26 117.95 3kcr h ALA 29 Ca -0.29 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3kcr h ALA 29 Cb 1.40 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3kcr h ALA 29 CO -0.10 0.50 0.00 -2.37 0.00 0.00 0.00 179.25 177.27 3kcr n THR 30 N -4.30 0.81 -0.06 0.00 5.66 -0.38 -2.99 114.28 113.03 3kcr n THR 30 Ca 0.03 0.19 -0.04 0.00 -3.05 0.00 0.00 64.05 61.18 3kcr n THR 30 Cb 0.21 -0.96 -0.11 0.00 -1.55 0.00 0.00 70.33 67.92 3kcr n THR 30 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3kcr n GLU 31 N -1.72 1.43 0.25 1.09 -0.58 -0.75 -3.77 120.64 116.58 3kcr n GLU 31 Ca 0.04 -0.03 0.08 0.00 -0.42 0.00 0.00 57.16 56.83 3kcr n GLU 31 Cb 0.22 -1.37 0.62 0.00 -0.57 0.00 0.00 31.44 30.34 3kcr n GLU 31 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3kcr h LEU 32 N 0.00 0.00 -0.30 -4.62 3.38 -1.43 -1.87 115.31 110.47 3kcr h LEU 32 Ca -0.31 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.46 3kcr h LEU 32 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 3kcr h LEU 32 CO 0.02 0.11 -0.61 0.00 0.09 0.00 0.00 178.44 178.05 3kcr h ALA 33 N 1.89 0.47 0.00 1.53 0.00 -1.65 -0.83 119.26 120.67 3kcr h ALA 33 Ca -0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 3kcr h ALA 33 Cb 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kcr h ALA 33 CO 0.01 0.69 -0.27 0.00 0.00 0.00 0.00 179.25 179.68 3kcr h ARG 34 N 0.59 0.00 0.00 0.00 3.08 -1.59 -0.89 114.38 115.57 3kcr h ARG 34 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kcr h ARG 34 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3kcr h ARG 34 CO 0.13 0.27 -0.35 -2.13 -1.07 0.00 0.00 179.97 176.82 3kcr n ARG 35 N -3.56 0.02 -0.02 0.04 3.00 -0.74 -2.67 116.66 112.72 3kcr n ARG 35 Ca -0.01 0.01 0.03 0.00 -0.00 0.00 0.00 57.85 57.88 3kcr n ARG 35 Cb 0.41 -1.51 0.04 0.00 0.00 0.00 0.00 32.46 31.40 3kcr n ARG 35 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3kcr n LEU 36 N -1.53 1.71 -0.07 6.15 4.77 -0.39 -4.75 117.00 122.88 3kcr n LEU 36 Ca 0.06 -1.19 -0.12 0.00 -0.03 0.00 0.00 56.01 54.73 3kcr n LEU 36 Cb 0.34 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 3kcr n LEU 36 CO 0.33 0.38 0.20 -0.09 -1.33 0.00 0.00 177.39 176.87 3kcr h ARG 37 N 1.20 0.00 0.00 3.23 2.43 -0.95 -2.71 114.38 117.58 3kcr h ARG 37 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3kcr h ARG 37 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3kcr h ARG 37 CO 0.00 0.76 0.00 0.41 -1.51 0.00 0.00 179.97 179.63 3kcr n GLY 38 N 1.63 1.39 1.34 2.80 0.00 -1.25 -4.39 105.19 106.71 3kcr n GLY 38 Ca -0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.01 3kcr n GLY 38 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kcr n LYS 39 N -1.03 3.55 -0.13 1.61 2.85 -1.25 -3.68 118.16 120.07 3kcr n LYS 39 Ca 0.00 -2.78 0.09 0.00 -1.05 0.00 0.00 58.31 54.57 3kcr n LYS 39 Cb 0.00 -1.81 0.15 0.00 -0.65 0.00 0.00 35.03 32.71 3kcr n LYS 39 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 3kcr n HIS 40 N 0.72 0.18 -3.74 5.58 1.44 -1.11 -4.91 115.22 113.39 3kcr n HIS 40 Ca 0.23 -0.92 -0.12 0.00 -2.01 0.00 0.00 57.72 54.90 3kcr n HIS 40 Cb 0.84 -0.17 -0.11 0.00 0.12 0.00 0.00 29.99 30.67 3kcr n HIS 40 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 3kcr s LYS 41 N -2.67 0.36 0.30 -1.40 2.20 -1.24 -5.05 119.74 112.24 3kcr s LYS 41 Ca 0.31 0.56 0.01 0.00 -0.36 0.00 0.00 55.97 56.48 3kcr s LYS 41 Cb 0.26 0.08 0.53 0.00 -1.51 0.00 0.00 37.83 37.19 3kcr s LYS 41 CO 0.04 -0.10 1.91 0.00 -0.36 0.00 0.00 175.35 176.85 3kcr h ALA 42 N 6.28 1.51 -1.79 3.13 0.00 -1.94 -3.44 119.26 123.01 3kcr h ALA 42 Ca -0.32 -0.02 -0.50 0.00 0.00 0.00 0.00 54.91 54.07 3kcr h ALA 42 Cb 1.18 -0.27 0.22 0.00 0.00 0.00 0.00 17.79 18.92 3kcr h ALA 42 CO 0.31 0.36 -1.70 -0.85 0.00 0.00 0.00 179.25 177.37 3kcr n GLU 43 N -4.49 0.00 -3.05 0.00 0.28 -1.26 -5.02 120.64 107.10 3kcr n GLU 43 Ca 0.14 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.75 3kcr n GLU 43 Cb 0.19 -0.90 -0.06 0.00 1.43 0.00 0.00 31.44 32.10 3kcr n GLU 43 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3kcr s TYR 44 N -1.80 3.85 -0.31 -1.84 5.04 -1.26 -4.90 117.35 116.13 3kcr s TYR 44 Ca 0.36 1.53 0.03 0.00 -2.44 0.00 0.00 57.07 56.55 3kcr s TYR 44 Cb -0.16 -2.69 0.08 0.00 0.35 0.00 0.00 41.96 39.54 3kcr s TYR 44 CO 0.75 0.51 -0.01 0.99 -1.34 0.00 0.00 175.55 176.44 3kcr s THR 45 N -1.19 2.30 -0.17 4.34 2.01 -1.26 -3.32 115.64 118.35 3kcr s THR 45 Ca 0.35 -2.00 0.18 0.00 0.31 0.00 0.00 61.69 60.53 3kcr s THR 45 Cb -0.22 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 3kcr s THR 45 CO 0.24 -0.34 1.00 1.55 -0.69 0.00 0.00 174.62 176.38 3kcr h PRO 46 N 7.71 0.00 0.00 4.92 0.13 -1.96 -3.40 132.00 139.39 3kcr h PRO 46 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3kcr h PRO 46 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3kcr h PRO 46 CO 0.50 0.24 0.00 -2.39 -0.23 0.00 0.00 178.00 176.12 3kcr n HIS 47 N -2.90 0.00 -3.46 1.56 1.44 -1.26 -5.12 115.22 105.48 3kcr n HIS 47 Ca -0.05 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.36 3kcr n HIS 47 Cb 0.74 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.81 3kcr n HIS 47 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3kcr s VAL 48 N 0.00 5.05 -0.30 0.61 1.01 -1.26 -5.08 120.40 120.43 3kcr s VAL 48 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 3kcr s VAL 48 Cb 0.00 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.72 3kcr s VAL 48 CO 0.00 -0.17 0.04 -0.62 0.00 0.00 0.00 175.10 174.35 3kcr s ASP 49 N -2.82 4.96 -0.20 3.32 2.15 -1.26 -4.93 116.67 117.89 3kcr s ASP 49 Ca 0.44 -0.93 0.15 0.00 0.43 0.00 0.00 52.55 52.63 3kcr s ASP 49 Cb -0.11 -1.81 0.73 0.00 -0.30 0.00 0.00 42.92 41.44 3kcr s ASP 49 CO 0.27 -0.22 1.65 0.41 -0.17 0.00 0.00 175.17 177.11 3kcr n THR 50 N 4.77 2.51 -1.70 1.71 -1.04 -1.22 -3.59 114.28 115.72 3kcr n THR 50 Ca -0.14 -1.48 -0.27 0.00 -2.04 0.00 0.00 64.05 60.11 3kcr n THR 50 Cb 0.46 -0.20 0.20 0.00 -1.82 0.00 0.00 70.33 68.97 3kcr n THR 50 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kcr n GLY 51 N 0.43 -1.71 3.19 3.41 0.00 -1.03 -4.30 105.19 105.18 3kcr n GLY 51 Ca 0.26 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 3kcr n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kcr s ASP 52 N -5.27 0.21 -0.34 1.61 1.11 -1.26 -2.35 116.67 110.38 3kcr s ASP 52 Ca 0.69 -1.30 -0.02 0.00 0.18 0.00 0.00 52.55 52.11 3kcr s ASP 52 Cb -0.03 0.35 0.17 0.00 1.07 0.00 0.00 42.92 44.49 3kcr s ASP 52 CO 0.49 -0.80 2.20 -1.22 1.18 0.00 0.00 175.17 177.02 3kcr n TYR 53 N -0.20 1.52 -2.99 4.23 4.01 -0.04 -3.47 117.16 120.22 3kcr n TYR 53 Ca -0.01 -1.96 -0.40 0.00 -0.16 0.00 0.00 57.90 55.37 3kcr n TYR 53 Cb 0.65 -1.06 -0.05 0.00 -0.31 0.00 0.00 39.34 38.57 3kcr n TYR 53 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 3kcr s ILE 54 N -2.23 4.69 -0.06 -0.72 2.07 -1.25 -1.26 121.20 122.44 3kcr s ILE 54 Ca 0.37 1.63 0.00 0.00 -1.41 0.00 0.00 60.65 61.25 3kcr s ILE 54 Cb 0.27 -4.11 0.02 0.00 0.13 0.00 0.00 42.46 38.77 3kcr s ILE 54 CO -0.05 0.39 -0.03 -0.63 -1.91 0.00 0.00 174.94 172.71 3kcr s ILE 55 N -0.21 0.51 0.74 2.00 1.01 -0.17 -0.50 121.20 124.58 3kcr s ILE 55 Ca 0.38 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.87 3kcr s ILE 55 Cb -0.21 -0.58 0.04 0.00 0.01 0.00 0.00 42.46 41.72 3kcr s ILE 55 CO 0.23 0.24 1.07 -0.69 0.00 0.00 0.00 174.94 175.80 3kcr s VAL 56 N 1.32 3.64 0.00 2.92 1.01 0.16 -0.38 120.40 129.08 3kcr s VAL 56 Ca -0.05 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.46 3kcr s VAL 56 Cb -0.13 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.03 3kcr s VAL 56 CO -0.02 -0.69 0.00 -0.11 0.00 0.00 0.00 175.10 174.27 3kcr n LEU 57 N -3.30 0.00 -4.46 3.92 7.94 -0.57 -1.74 117.00 118.79 3kcr n LEU 57 Ca 0.08 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.66 3kcr n LEU 57 Cb 0.54 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.36 3kcr n LEU 57 CO 0.55 0.00 -0.47 0.21 -1.11 0.00 0.00 177.39 176.57 3kcr s ASN 58 N -1.25 3.89 -0.34 1.96 2.47 -1.25 -0.53 114.94 119.88 3kcr s ASN 58 Ca 0.00 -0.32 0.02 0.00 0.42 0.00 0.00 52.86 52.98 3kcr s ASN 58 Cb 0.00 -0.71 0.31 0.00 -1.45 0.00 0.00 41.25 39.39 3kcr s ASN 58 CO 0.00 0.30 1.31 0.00 -3.72 0.00 0.00 177.10 174.99 3kcr n ALA 59 N 1.90 -3.05 -2.01 1.71 0.00 -1.20 -0.08 120.51 117.79 3kcr n ALA 59 Ca -0.16 -0.48 -0.03 0.00 0.00 0.00 0.00 53.44 52.76 3kcr n ALA 59 Cb 0.52 -2.95 -0.03 0.00 0.00 0.00 0.00 19.45 16.99 3kcr n ALA 59 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kcr n ASP 60 N 0.87 -0.45 -0.13 0.00 5.68 -1.14 -4.74 116.55 116.64 3kcr n ASP 60 Ca -0.02 -1.52 0.00 0.00 -0.50 0.00 0.00 54.79 52.75 3kcr n ASP 60 Cb 0.73 0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.84 3kcr n ASP 60 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3kcr n LYS 61 N 0.01 0.00 -1.78 0.11 5.02 -1.22 -5.04 118.16 115.27 3kcr n LYS 61 Ca -0.13 -0.27 -0.36 0.00 -2.02 0.00 0.00 58.31 55.53 3kcr n LYS 61 Cb 0.61 -0.21 0.06 0.00 -0.02 0.00 0.00 35.03 35.47 3kcr n LYS 61 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3kcr s VAL 62 N 0.00 2.34 -0.10 -0.18 -7.23 -1.26 -1.53 120.40 112.44 3kcr s VAL 62 Ca 0.00 0.20 -0.07 0.00 -1.81 0.00 0.00 61.98 60.30 3kcr s VAL 62 Cb 0.00 -3.00 0.04 0.00 0.56 0.00 0.00 36.38 33.97 3kcr s VAL 62 CO 0.00 -0.06 0.25 0.00 -0.31 0.00 0.00 175.10 174.99 3kcr s ALA 63 N -1.61 -0.60 -0.02 1.32 0.00 -1.22 -4.54 121.76 115.08 3kcr s ALA 63 Ca 0.79 0.86 0.03 0.00 0.00 0.00 0.00 51.96 53.64 3kcr s ALA 63 Cb -0.33 -0.53 0.05 0.00 0.00 0.00 0.00 23.12 22.32 3kcr s ALA 63 CO 0.38 -0.16 1.01 1.33 0.00 0.00 0.00 175.76 178.32 3kcr n VAL 64 N 3.57 1.12 -3.78 0.00 0.24 -1.26 -2.14 118.33 116.08 3kcr n VAL 64 Ca -0.19 -1.19 0.00 0.00 -2.04 0.00 0.00 64.34 60.92 3kcr n VAL 64 Cb 0.56 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 3kcr n VAL 64 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3kcr n THR 65 N -0.65 0.00 -4.60 3.34 5.66 -1.26 -4.72 114.28 112.05 3kcr n THR 65 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 3kcr n THR 65 Cb 0.33 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.11 3kcr n THR 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3kcr n GLY 66 N 0.00 0.45 0.64 1.09 0.00 -1.26 -2.89 105.19 103.22 3kcr n GLY 66 Ca 0.00 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.34 3kcr n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kcr n ASN 67 N -1.39 2.04 -2.11 1.61 3.02 -1.26 -4.61 115.26 112.56 3kcr n ASN 67 Ca 0.00 -1.64 -0.25 0.00 -0.03 0.00 0.00 54.58 52.65 3kcr n ASN 67 Cb 0.00 0.03 0.09 0.00 -0.61 0.00 0.00 39.78 39.29 3kcr n ASN 67 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3kcr n LYS 68 N 0.54 2.24 -0.04 3.52 2.85 -1.14 -4.56 118.16 121.56 3kcr n LYS 68 Ca 0.16 -2.56 0.04 0.00 -1.05 0.00 0.00 58.31 54.90 3kcr n LYS 68 Cb 0.45 -2.00 0.39 0.00 -0.65 0.00 0.00 35.03 33.22 3kcr n LYS 68 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 177.40 177.42 3kcr h ARG 69 N 1.47 0.62 0.00 -1.58 0.11 -1.81 -3.35 114.38 109.84 3kcr h ARG 69 Ca 0.50 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.54 3kcr h ARG 69 Cb 1.40 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 32.34 3kcr h ARG 69 CO 1.15 0.41 -0.19 1.15 0.10 0.00 0.00 179.97 182.59 3kcr h THR 70 N 0.64 0.00 -2.50 0.08 2.02 -1.93 -3.47 112.91 107.76 3kcr h THR 70 Ca 0.18 -0.72 0.15 0.00 0.77 0.00 0.00 66.41 66.78 3kcr h THR 70 Cb -0.05 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.29 3kcr h THR 70 CO -0.04 0.00 0.44 1.51 0.37 0.00 0.00 175.52 177.80 3kcr s ASP 71 N -4.99 -0.16 -0.13 4.18 3.84 -1.26 -4.77 116.67 113.38 3kcr s ASP 71 Ca -0.06 -0.50 0.01 0.00 -0.00 0.00 0.00 52.55 52.01 3kcr s ASP 71 Cb 0.01 0.55 0.02 0.00 -1.38 0.00 0.00 42.92 42.11 3kcr s ASP 71 CO 0.08 -1.02 -0.16 -0.75 -0.00 0.00 0.00 175.17 173.32 3kcr s LYS 72 N -3.24 2.42 -0.14 2.11 2.20 -1.26 -4.88 119.74 116.95 3kcr s LYS 72 Ca 0.13 -0.62 -0.19 0.00 -0.36 0.00 0.00 55.97 54.93 3kcr s LYS 72 Cb -0.02 -2.09 -0.04 0.00 -1.51 0.00 0.00 37.83 34.17 3kcr s LYS 72 CO 0.04 -0.13 0.52 0.08 -0.36 0.00 0.00 175.35 175.50 3kcr s VAL 73 N 1.16 5.14 0.26 4.02 1.01 -1.26 -0.49 120.40 130.24 3kcr s VAL 73 Ca -0.02 1.03 0.12 0.00 0.00 0.00 0.00 61.98 63.11 3kcr s VAL 73 Cb -0.14 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 3kcr s VAL 73 CO -0.06 0.27 -0.21 -0.31 0.00 0.00 0.00 175.10 174.79 3kcr s TYR 74 N 0.97 2.29 0.44 5.22 4.12 0.22 -4.94 117.35 125.67 3kcr s TYR 74 Ca 0.27 -0.34 0.08 0.00 0.02 0.00 0.00 57.07 57.10 3kcr s TYR 74 Cb -0.16 -1.03 -0.01 0.00 -1.52 0.00 0.00 41.96 39.25 3kcr s TYR 74 CO 0.11 0.67 0.40 0.71 0.02 0.00 0.00 175.55 177.46 3kcr s TYR 75 N -2.31 2.53 -0.29 2.71 2.02 -1.26 -0.47 117.35 120.28 3kcr s TYR 75 Ca 0.28 -0.54 -0.01 0.00 -0.37 0.00 0.00 57.07 56.42 3kcr s TYR 75 Cb -0.06 -2.15 0.19 0.00 -0.40 0.00 0.00 41.96 39.55 3kcr s TYR 75 CO 0.14 -0.21 0.75 -3.38 -1.57 0.00 0.00 175.55 171.27 3kcr s HIS 76 N -2.51 -1.35 0.35 2.71 -3.43 0.23 -4.76 115.29 106.53 3kcr s HIS 76 Ca 0.47 0.97 -0.29 0.00 -0.80 0.00 0.00 55.06 55.42 3kcr s HIS 76 Cb -0.03 0.30 -0.12 0.00 -1.43 0.00 0.00 32.58 31.30 3kcr s HIS 76 CO 0.28 -0.77 1.46 1.58 -2.00 0.00 0.00 174.74 175.29 3kcr n HIS 77 N 5.36 2.78 -1.65 0.38 -0.00 -1.26 -0.74 115.22 120.09 3kcr n HIS 77 Ca 0.03 0.43 0.00 0.00 0.46 0.00 0.00 57.72 58.65 3kcr n HIS 77 Cb 0.54 -2.52 0.00 0.00 -0.12 0.00 0.00 29.99 27.90 3kcr n HIS 77 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 3kcr n THR 78 N 0.79 0.00 -0.83 3.57 -2.24 -0.80 -4.85 114.28 109.91 3kcr n THR 78 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3kcr n THR 78 Cb 0.38 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 3kcr n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kcr n GLY 79 N 0.00 0.88 3.39 3.38 0.00 0.24 -4.76 105.19 108.32 3kcr n GLY 79 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3kcr n GLY 79 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kcr n HIS 80 N 0.00 0.00 -0.62 1.61 -0.00 -1.26 -2.75 115.22 112.20 3kcr n HIS 80 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.75 3kcr n HIS 80 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.03 3kcr n HIS 80 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 3kcr n ILE 81 N 0.00 1.06 0.00 3.57 3.06 -1.26 -4.93 119.36 120.86 3kcr n ILE 81 Ca 0.00 -1.18 0.00 0.00 -2.50 0.00 0.00 62.75 59.07 3kcr n ILE 81 Cb 0.00 0.34 0.00 0.00 0.54 0.00 0.00 39.64 40.52 3kcr n ILE 81 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3kcr n GLY 82 N -0.68 1.32 3.75 4.50 0.00 -1.25 -5.10 105.19 107.73 3kcr n GLY 82 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3kcr n GLY 82 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kcr s GLY 83 N -2.00 1.66 0.19 -0.02 0.00 -1.11 -4.66 107.32 101.37 3kcr s GLY 83 Ca 0.00 -0.99 -0.18 0.00 0.00 0.00 0.00 44.72 43.55 3kcr s GLY 83 CO 0.00 -0.19 0.53 -1.50 0.00 0.00 0.00 173.10 171.94 3kcr s ILE 84 N -3.37 0.03 -0.01 0.90 2.07 -1.26 -0.59 121.20 118.96 3kcr s ILE 84 Ca 0.71 -0.72 -0.18 0.00 -1.41 0.00 0.00 60.65 59.05 3kcr s ILE 84 Cb -0.08 -1.53 0.03 0.00 0.13 0.00 0.00 42.46 41.01 3kcr s ILE 84 CO 0.55 -0.11 0.39 -0.75 -1.91 0.00 0.00 174.94 173.10 3kcr s LYS 85 N -3.86 0.78 0.12 3.50 2.20 0.08 -4.78 119.74 117.78 3kcr s LYS 85 Ca 0.08 -0.16 0.06 0.00 -0.36 0.00 0.00 55.97 55.60 3kcr s LYS 85 Cb -0.01 0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 36.63 3kcr s LYS 85 CO -0.04 -0.23 -0.15 1.14 -0.36 0.00 0.00 175.35 175.71 3kcr s GLN 86 N -1.55 1.02 0.08 4.03 -2.07 -1.26 0.78 119.66 120.68 3kcr s GLN 86 Ca -0.11 -1.21 0.06 0.00 -1.82 0.00 0.00 55.36 52.28 3kcr s GLN 86 Cb -0.03 -0.96 -0.03 0.00 -1.09 0.00 0.00 33.01 30.90 3kcr s GLN 86 CO 0.04 0.19 -0.15 0.00 -1.32 0.00 0.00 175.29 174.05 3kcr s ALA 87 N -1.94 1.29 0.34 2.60 0.00 0.39 -4.94 121.76 119.49 3kcr s ALA 87 Ca 0.08 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 51.05 3kcr s ALA 87 Cb -0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 3kcr s ALA 87 CO 0.03 0.18 0.17 0.95 0.00 0.00 0.00 175.76 177.09 3kcr s THR 88 N -1.38 3.13 0.17 0.00 -4.23 -1.26 0.71 115.64 112.78 3kcr s THR 88 Ca 0.00 -1.63 -0.21 0.00 -1.18 0.00 0.00 61.69 58.67 3kcr s THR 88 Cb -0.09 -3.02 0.07 0.00 1.34 0.00 0.00 72.50 70.80 3kcr s THR 88 CO 0.03 -0.18 1.61 0.15 -0.54 0.00 0.00 174.62 175.69 3kcr h PHE 89 N 1.49 -0.72 -1.04 3.99 3.04 -1.13 0.66 116.94 123.23 3kcr h PHE 89 Ca -0.44 0.05 0.27 0.00 3.98 0.00 0.00 57.97 61.83 3kcr h PHE 89 Cb 1.25 0.37 -0.11 0.00 2.56 0.00 0.00 35.95 40.03 3kcr h PHE 89 CO 0.61 -0.34 0.65 0.93 -2.02 0.00 0.00 178.31 178.13 3kcr h GLU 90 N -0.21 0.44 0.00 1.11 3.07 -1.87 0.31 114.58 117.43 3kcr h GLU 90 Ca 0.18 -0.03 -0.22 0.00 -0.50 0.00 0.00 59.36 58.79 3kcr h GLU 90 Cb 0.50 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 3kcr h GLU 90 CO -0.50 0.29 -1.06 1.49 -1.40 0.00 0.00 179.01 177.83 3kcr h GLU 91 N 0.45 0.00 -0.03 2.33 4.81 -1.56 -2.74 114.58 117.86 3kcr h GLU 91 Ca 0.62 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.85 3kcr h GLU 91 Cb 1.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.82 3kcr h GLU 91 CO -0.37 0.96 0.00 -1.33 -0.73 0.00 0.00 179.01 177.54 3kcr n MET 92 N -3.33 1.39 -0.08 1.92 2.81 0.09 -0.30 117.12 119.62 3kcr n MET 92 Ca -0.02 -0.57 0.03 0.00 -1.81 0.00 0.00 57.70 55.33 3kcr n MET 92 Cb 0.95 -1.45 0.04 0.00 -0.71 0.00 0.00 33.22 32.04 3kcr n MET 92 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3kcr n ILE 93 N -0.29 0.92 0.00 2.02 -5.35 -0.96 -1.95 119.36 113.76 3kcr n ILE 93 Ca 0.20 -1.02 0.00 0.00 -0.27 0.00 0.00 62.75 61.66 3kcr n ILE 93 Cb 0.24 0.40 0.00 0.00 -1.74 0.00 0.00 39.64 38.54 3kcr n ILE 93 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kcr n ALA 94 N -0.59 0.37 0.05 -1.28 0.00 -0.85 -4.17 120.51 114.04 3kcr n ALA 94 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.26 3kcr n ALA 94 Cb 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.76 3kcr n ALA 94 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3kcr h ARG 95 N 0.00 0.33 -5.18 0.00 2.43 -0.92 -3.44 114.38 107.61 3kcr h ARG 95 Ca 0.00 -0.57 -0.38 0.00 -0.81 0.00 0.00 59.98 58.22 3kcr h ARG 95 Cb 0.00 0.21 -0.14 0.00 -0.42 0.00 0.00 29.97 29.62 3kcr h ARG 95 CO 0.00 1.27 -0.69 1.03 -1.51 0.00 0.00 179.97 180.07 3kcr s ARG 96 N -2.52 1.24 0.00 0.20 0.52 -1.26 -5.00 118.95 112.14 3kcr s ARG 96 Ca -0.17 -1.58 0.13 0.00 -0.52 0.00 0.00 55.73 53.59 3kcr s ARG 96 Cb 0.04 -0.73 0.64 0.00 0.52 0.00 0.00 34.95 35.43 3kcr s ARG 96 CO 0.82 0.02 1.37 -2.30 0.02 0.00 0.00 175.30 175.23 3kcr n PRO 97 N -0.34 0.14 -3.63 3.54 -0.02 -1.26 -2.29 135.00 131.15 3kcr n PRO 97 Ca -0.08 0.19 -0.15 0.00 -2.02 0.00 0.00 63.50 61.45 3kcr n PRO 97 Cb 0.62 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.53 3kcr n PRO 97 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3kcr s GLU 98 N -2.69 0.83 0.00 -0.52 1.03 -0.82 -4.28 118.70 112.25 3kcr s GLU 98 Ca 0.11 0.69 0.00 0.00 0.03 0.00 0.00 54.97 55.80 3kcr s GLU 98 Cb 0.09 0.40 0.00 0.00 -0.80 0.00 0.00 34.13 33.82 3kcr s GLU 98 CO 0.21 -0.15 0.00 0.54 -1.33 0.00 0.00 175.26 174.53 3kcr n ARG 99 N 2.20 0.00 -0.19 -4.83 1.74 -0.85 -4.89 116.66 109.85 3kcr n ARG 99 Ca -0.15 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.83 3kcr n ARG 99 Cb 0.56 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.01 3kcr n ARG 99 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kcr h VAL 100 N 0.43 1.26 -0.24 1.55 2.07 -1.93 -3.37 116.25 116.02 3kcr h VAL 100 Ca 0.00 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3kcr h VAL 100 Cb 0.21 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3kcr h VAL 100 CO 0.00 0.36 0.00 2.30 0.02 0.00 0.00 177.57 180.25 3kcr n ILE 101 N -4.34 0.31 1.07 4.57 -5.35 -1.26 -4.09 119.36 110.27 3kcr n ILE 101 Ca 0.02 -0.66 0.12 0.00 -0.27 0.00 0.00 62.75 61.96 3kcr n ILE 101 Cb 0.28 1.16 0.21 0.00 -1.74 0.00 0.00 39.64 39.56 3kcr n ILE 101 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3kcr n GLU 102 N 1.34 0.34 0.00 6.28 -0.58 -1.26 -3.52 120.64 123.24 3kcr n GLU 102 Ca 0.16 -0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3kcr n GLU 102 Cb 0.57 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 3kcr n GLU 102 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 3kcr n ILE 103 N -1.13 0.00 0.08 -3.67 -5.35 -1.26 -3.90 119.36 104.13 3kcr n ILE 103 Ca 0.08 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.34 3kcr n ILE 103 Cb 0.35 0.16 -0.12 0.00 -1.74 0.00 0.00 39.64 38.28 3kcr n ILE 103 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kcr h ALA 104 N 0.00 0.04 -0.14 -1.28 0.00 -1.72 -1.10 119.26 115.05 3kcr h ALA 104 Ca 0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 54.91 54.03 3kcr h ALA 104 Cb 0.12 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kcr h ALA 104 CO 0.00 0.70 -0.39 0.28 0.00 0.00 0.00 179.25 179.84 3kcr h VAL 105 N 0.30 1.36 0.42 0.00 2.07 -1.81 -3.41 116.25 115.17 3kcr h VAL 105 Ca -0.17 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.67 3kcr h VAL 105 Cb 1.86 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 33.66 3kcr h VAL 105 CO 0.23 0.50 -0.45 0.50 0.02 0.00 0.00 177.57 178.37 3kcr h LYS 106 N 0.13 -0.86 -0.26 1.57 1.63 -1.45 -1.19 116.57 116.15 3kcr h LYS 106 Ca -0.01 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3kcr h LYS 106 Cb 1.01 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 3kcr h LYS 106 CO 0.08 -0.57 0.00 0.41 -3.45 0.00 0.00 179.45 175.92 3kcr n GLY 107 N -1.53 0.15 0.00 5.01 0.00 -0.50 -0.25 105.19 108.07 3kcr n GLY 107 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3kcr n GLY 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kcr n MET 108 N -0.10 2.57 -2.36 1.61 2.81 -0.82 -5.00 117.12 115.83 3kcr n MET 108 Ca 0.00 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.60 3kcr n MET 108 Cb 0.06 -0.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 3kcr n MET 108 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3kcr s LEU 109 N -2.14 3.49 0.00 4.03 1.43 0.65 -5.07 118.68 121.07 3kcr s LEU 109 Ca 0.00 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 3kcr s LEU 109 Cb 0.00 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 42.11 3kcr s LEU 109 CO 0.00 -0.68 0.00 -0.81 0.23 0.00 0.00 176.35 175.09 3kcr n PRO 110 N -2.39 2.70 -0.79 1.29 -0.04 -1.26 -4.98 135.00 129.53 3kcr n PRO 110 Ca 0.03 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.51 3kcr n PRO 110 Cb 0.55 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.99 3kcr n PRO 110 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3kcr n LYS 111 N 0.00 -2.02 0.00 0.54 5.02 -1.26 -3.38 118.16 117.06 3kcr n LYS 111 Ca 0.00 1.59 0.00 0.00 -2.02 0.00 0.00 58.31 57.88 3kcr n LYS 111 Cb 0.00 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 32.97 3kcr n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kcr n GLY 112 N -2.36 -0.25 0.29 0.72 0.00 -1.26 -2.11 105.19 100.22 3kcr n GLY 112 Ca -0.01 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.19 3kcr n GLY 112 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kcr h PRO 113 N 0.00 0.00 -0.04 1.61 0.11 -1.99 -2.03 132.00 129.67 3kcr h PRO 113 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3kcr h PRO 113 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3kcr h PRO 113 CO 0.00 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.07 3kcr n LEU 114 N -3.09 1.67 0.12 2.35 4.77 -1.26 -2.10 117.00 119.46 3kcr n LEU 114 Ca -0.00 -1.46 0.07 0.00 -0.03 0.00 0.00 56.01 54.58 3kcr n LEU 114 Cb 0.26 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 3kcr n LEU 114 CO 0.26 0.40 0.20 1.23 -1.33 0.00 0.00 177.39 178.15 3kcr h GLY 115 N 0.47 0.00 1.39 -0.72 0.00 -0.95 -2.63 103.07 100.64 3kcr h GLY 115 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 3kcr h GLY 115 CO 0.00 0.00 -0.70 3.21 0.00 0.00 0.00 176.54 179.05 3kcr h ARG 116 N 0.00 0.61 -0.51 4.80 3.08 -1.43 -2.79 114.38 118.13 3kcr h ARG 116 Ca -0.04 -0.46 -0.03 0.00 0.07 0.00 0.00 59.98 59.51 3kcr h ARG 116 Cb 1.24 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 3kcr h ARG 116 CO 0.03 1.08 0.18 0.00 -1.07 0.00 0.00 179.97 180.19 3kcr h ALA 117 N 0.80 1.35 -0.01 0.04 0.00 -1.34 -1.71 119.26 118.38 3kcr h ALA 117 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kcr h ALA 117 Cb 1.29 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3kcr h ALA 117 CO 0.13 0.48 -0.35 -1.33 0.00 0.00 0.00 179.25 178.18 3kcr n MET 118 N -4.32 0.91 0.12 0.00 2.81 -1.00 -1.06 117.12 114.58 3kcr n MET 118 Ca 0.04 -0.63 0.12 0.00 -1.81 0.00 0.00 57.70 55.42 3kcr n MET 118 Cb 0.18 -1.49 0.05 0.00 -0.71 0.00 0.00 33.22 31.25 3kcr n MET 118 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 3kcr h PHE 119 N 1.53 0.00 -0.01 2.03 3.57 -1.08 -3.34 116.94 119.63 3kcr h PHE 119 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3kcr h PHE 119 Cb 0.58 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.32 3kcr h PHE 119 CO 0.00 0.00 0.00 0.54 -2.23 0.00 0.00 178.31 176.62 3kcr n ARG 120 N -2.68 2.73 -0.08 1.11 5.12 -0.71 -4.45 116.66 117.69 3kcr n ARG 120 Ca 0.01 -1.44 -0.12 0.00 -1.93 0.00 0.00 57.85 54.37 3kcr n ARG 120 Cb 0.53 -1.01 -0.05 0.00 -1.16 0.00 0.00 32.46 30.78 3kcr n ARG 120 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3kcr h LYS 121 N 0.04 0.50 -7.03 5.56 1.79 -1.22 -3.44 116.57 112.77 3kcr h LYS 121 Ca 0.00 -0.21 -0.56 0.00 -2.18 0.00 0.00 60.65 57.69 3kcr h LYS 121 Cb 0.47 -0.02 0.16 0.00 -1.58 0.00 0.00 32.23 31.26 3kcr h LYS 121 CO 0.00 0.76 0.40 -0.11 -1.08 0.00 0.00 179.45 179.41 3kcr n LEU 122 N -4.51 5.37 -4.44 2.94 7.94 -1.23 -4.26 117.00 118.82 3kcr n LEU 122 Ca -0.04 0.82 -0.22 0.00 -1.11 0.00 0.00 56.01 55.46 3kcr n LEU 122 Cb 0.33 -1.51 -0.10 0.00 0.53 0.00 0.00 43.42 42.68 3kcr n LEU 122 CO 0.40 -1.26 -0.42 -0.54 -1.11 0.00 0.00 177.39 174.47 3kcr s LYS 123 N -3.20 1.57 -0.00 1.96 1.02 0.35 -4.96 119.74 116.48 3kcr s LYS 123 Ca 0.81 -1.76 -0.02 0.00 0.02 0.00 0.00 55.97 55.02 3kcr s LYS 123 Cb -0.39 -1.39 -0.00 0.00 -0.52 0.00 0.00 37.83 35.53 3kcr s LYS 123 CO 0.42 0.16 0.04 0.14 -0.92 0.00 0.00 175.35 175.20 3kcr s VAL 124 N -2.81 0.05 0.29 3.17 -7.23 -1.26 -0.66 120.40 111.95 3kcr s VAL 124 Ca 0.28 -0.43 -0.20 0.00 -1.81 0.00 0.00 61.98 59.82 3kcr s VAL 124 Cb 0.00 -0.21 0.02 0.00 0.56 0.00 0.00 36.38 36.75 3kcr s VAL 124 CO 0.12 -0.24 0.72 -0.31 -0.31 0.00 0.00 175.10 175.08 3kcr s TYR 125 N -0.73 -0.14 0.00 2.82 2.02 -0.71 -4.72 117.35 115.88 3kcr s TYR 125 Ca -0.08 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 3kcr s TYR 125 Cb -0.05 0.70 0.00 0.00 -0.40 0.00 0.00 41.96 42.21 3kcr s TYR 125 CO 0.00 -1.26 0.05 0.00 -1.57 0.00 0.00 175.55 172.77 3kcr n ALA 126 N -0.46 0.61 0.15 3.71 0.00 -0.96 -2.19 120.51 121.36 3kcr n ALA 126 Ca -0.04 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.38 3kcr n ALA 126 Cb 0.59 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.00 3kcr n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcr n GLY 127 N 0.00 0.10 0.97 0.00 0.00 -0.82 -4.08 105.19 101.36 3kcr n GLY 127 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3kcr n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kcr n ASN 128 N -1.41 -1.65 -3.52 1.61 3.02 0.31 -5.02 115.26 108.59 3kcr n ASN 128 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 3kcr n ASN 128 Cb 0.13 -0.41 -0.05 0.00 -0.61 0.00 0.00 39.78 38.84 3kcr n ASN 128 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3kcr s GLU 129 N -3.48 0.92 0.22 3.52 2.56 -1.26 -5.04 118.70 116.13 3kcr s GLU 129 Ca 0.00 0.06 -0.22 0.00 0.00 0.00 0.00 54.97 54.81 3kcr s GLU 129 Cb 0.00 0.43 0.04 0.00 2.00 0.00 0.00 34.13 36.60 3kcr s GLU 129 CO 0.00 -0.32 0.71 -3.38 -0.56 0.00 0.00 175.26 171.71 3kcr s HIS 130 N -1.74 -0.30 -2.59 5.30 -3.43 -1.26 -4.94 115.29 106.33 3kcr s HIS 130 Ca -0.05 -0.05 0.21 0.00 -0.80 0.00 0.00 55.06 54.37 3kcr s HIS 130 Cb -0.00 0.65 0.16 0.00 -1.43 0.00 0.00 32.58 31.96 3kcr s HIS 130 CO 0.02 -1.04 1.16 0.27 -2.00 0.00 0.00 174.74 173.14 3kcr n ASN 131 N -0.43 2.73 -1.30 7.38 0.23 -1.26 -3.64 115.26 118.97 3kcr n ASN 131 Ca -0.09 -1.86 0.11 0.00 -0.53 0.00 0.00 54.58 52.21 3kcr n ASN 131 Cb 0.61 -0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.62 3kcr n ASN 131 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 3kcr n HIS 132 N 1.17 1.00 0.03 -2.53 -0.00 -1.26 -3.70 115.22 109.93 3kcr n HIS 132 Ca 0.12 -0.52 0.14 0.00 -0.00 0.00 0.00 57.72 57.46 3kcr n HIS 132 Cb 0.52 -0.05 0.60 0.00 -0.00 0.00 0.00 29.99 31.06 3kcr n HIS 132 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kcr h ALA 133 N 3.96 2.18 0.00 -1.41 0.00 -1.99 -2.13 119.26 119.87 3kcr h ALA 133 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kcr h ALA 133 Cb 1.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3kcr h ALA 133 CO 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.01 3kcr h ALA 134 N 1.79 1.00 -0.85 0.00 0.00 -1.86 -0.87 119.26 118.46 3kcr h ALA 134 Ca 0.20 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.53 3kcr h ALA 134 Cb 0.56 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.02 3kcr h ALA 134 CO -0.03 0.00 0.13 1.04 0.00 0.00 0.00 179.25 180.39 3kcr n GLN 135 N -2.51 2.96 -1.11 0.00 1.13 -0.80 -4.99 117.38 112.05 3kcr n GLN 135 Ca -0.01 -3.61 -0.02 0.00 -1.94 0.00 0.00 57.00 51.42 3kcr n GLN 135 Cb 0.13 -2.24 0.00 0.00 0.11 0.00 0.00 30.24 28.24 3kcr n GLN 135 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3kcr n GLN 136 N -0.87 -0.09 -1.20 -1.09 1.13 -0.33 -4.80 117.38 110.13 3kcr n GLN 136 Ca 0.53 0.07 -0.33 0.00 -1.94 0.00 0.00 57.00 55.33 3kcr n GLN 136 Cb 0.85 -0.10 0.11 0.00 0.11 0.00 0.00 30.24 31.22 3kcr n GLN 136 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 3kcr s PRO 137 N -0.12 1.85 -0.15 -1.09 0.02 -1.26 -4.75 135.00 129.50 3kcr s PRO 137 Ca 0.02 1.59 -0.03 0.00 0.02 0.00 0.00 61.00 62.60 3kcr s PRO 137 Cb -0.00 -1.82 -0.02 0.00 0.02 0.00 0.00 34.50 32.68 3kcr s PRO 137 CO 0.04 -2.02 -0.06 -0.65 -0.33 0.00 0.00 177.00 173.98 3kcr s GLN 138 N -4.29 3.56 0.39 5.54 1.11 0.47 -4.90 119.66 121.54 3kcr s GLN 138 Ca 0.70 -0.58 -0.25 0.00 0.01 0.00 0.00 55.36 55.24 3kcr s GLN 138 Cb -0.25 -2.84 -0.12 0.00 -1.01 0.00 0.00 33.01 28.79 3kcr s GLN 138 CO 0.50 0.19 0.90 1.33 0.01 0.00 0.00 175.29 178.22 3kcr n VAL 139 N 3.66 2.22 0.00 1.09 0.24 -1.26 -2.22 118.33 122.06 3kcr n VAL 139 Ca -0.18 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 3kcr n VAL 139 Cb 0.52 -0.97 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 3kcr n VAL 139 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3kcr n LEU 140 N 0.83 0.00 -4.68 1.34 7.94 -0.80 -4.79 117.00 116.84 3kcr n LEU 140 Ca 0.10 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.68 3kcr n LEU 140 Cb 0.38 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.24 3kcr n LEU 140 CO 0.57 0.00 -0.33 -1.81 -1.11 0.00 0.00 177.39 174.71 3kcr s ASP 141 N 0.00 5.09 0.00 1.96 1.11 -1.11 -4.02 116.67 119.70 3kcr s ASP 141 Ca 0.00 -0.02 0.00 0.00 0.18 0.00 0.00 52.55 52.71 3kcr s ASP 141 Cb 0.00 -1.32 0.00 0.00 1.07 0.00 0.00 42.92 42.67 3kcr s ASP 141 CO 0.00 0.28 0.08 2.30 1.18 0.00 0.00 175.17 179.01