#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr s ARG 2 N 0.00 4.26 -0.08 0.00 3.52 -1.26 -5.04 118.95 120.36 3kcr s ARG 2 Ca 0.00 2.22 -0.06 0.00 -0.13 0.00 0.00 55.73 57.77 3kcr s ARG 2 Cb 0.00 -3.21 0.03 0.00 -1.56 0.00 0.00 34.95 30.21 3kcr s ARG 2 CO 0.00 -0.53 0.19 0.08 -0.81 0.00 0.00 175.30 174.23 3kcr s VAL 3 N 1.17 -0.02 -0.19 7.11 1.01 -1.26 -5.13 120.40 123.10 3kcr s VAL 3 Ca 0.68 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.63 3kcr s VAL 3 Cb -0.40 -0.29 -0.08 0.00 0.00 0.00 0.00 36.38 35.60 3kcr s VAL 3 CO 0.31 0.03 -0.24 1.17 0.00 0.00 0.00 175.10 176.36 3kcr n LYS 4 N 3.47 0.41 0.00 2.72 4.81 -1.26 -5.06 118.16 123.25 3kcr n LYS 4 Ca -0.18 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3kcr n LYS 4 Cb 0.56 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.42 3kcr n LYS 4 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3kcr n ARG 5 N -3.80 0.00 0.00 1.64 1.74 -1.26 -5.03 116.66 109.95 3kcr n ARG 5 Ca -0.37 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 56.85 3kcr n ARG 5 Cb 0.77 0.00 0.62 0.00 -1.02 0.00 0.00 32.46 32.83 3kcr n ARG 5 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kcr n GLY 6 N -0.67 -0.99 0.73 -0.13 0.00 -1.26 -3.51 105.19 99.36 3kcr n GLY 6 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 46.02 45.76 3kcr n GLY 6 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3kcr n VAL 7 N -1.01 0.00 0.00 1.61 3.14 -1.26 -4.72 118.33 116.10 3kcr n VAL 7 Ca 0.14 -0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 3kcr n VAL 7 Cb 0.28 0.42 0.00 0.00 -1.06 0.00 0.00 33.84 33.48 3kcr n VAL 7 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3kcr n ILE 8 N 0.08 0.00 1.07 1.55 0.13 -1.25 -3.90 119.36 117.04 3kcr n ILE 8 Ca -0.03 -0.12 0.11 0.00 -1.10 0.00 0.00 62.75 61.61 3kcr n ILE 8 Cb 0.71 0.71 0.09 0.00 -0.84 0.00 0.00 39.64 40.31 3kcr n ILE 8 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3kcr n ALA 9 N -0.44 3.55 -0.54 1.51 0.00 -1.23 -1.14 120.51 122.22 3kcr n ALA 9 Ca 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 53.44 52.88 3kcr n ALA 9 Cb 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 19.45 18.58 3kcr n ALA 9 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3kcr n ARG 10 N -0.38 1.75 0.00 0.00 1.85 -1.26 -3.36 116.66 115.26 3kcr n ARG 10 Ca 0.09 -1.32 0.00 0.00 -1.00 0.00 0.00 57.85 55.63 3kcr n ARG 10 Cb 0.42 -0.89 0.00 0.00 -1.05 0.00 0.00 32.46 30.94 3kcr n ARG 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kcr n ALA 11 N -0.44 2.23 -1.90 2.89 0.00 -1.17 -3.54 120.51 118.59 3kcr n ALA 11 Ca 0.02 -0.67 0.03 0.00 0.00 0.00 0.00 53.44 52.81 3kcr n ALA 11 Cb 0.40 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.88 3kcr n ALA 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kcr n ARG 12 N -0.18 0.29 0.00 0.00 1.74 -0.29 -3.59 116.66 114.62 3kcr n ARG 12 Ca 0.00 -1.53 0.00 0.00 -0.77 0.00 0.00 57.85 55.55 3kcr n ARG 12 Cb 0.11 -0.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.90 3kcr n ARG 12 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3kcr n HIS 13 N -0.22 0.00 -0.01 -1.55 8.25 -1.21 -4.70 115.22 115.77 3kcr n HIS 13 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3kcr n HIS 13 Cb 0.76 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.87 3kcr n HIS 13 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kcr n LYS 14 N -0.38 -0.18 0.02 -0.41 5.02 -1.23 -1.49 118.16 119.51 3kcr n LYS 14 Ca 0.00 -0.70 -0.08 0.00 -2.02 0.00 0.00 58.31 55.51 3kcr n LYS 14 Cb 0.00 -0.99 0.08 0.00 -0.02 0.00 0.00 35.03 34.09 3kcr n LYS 14 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3kcr h LYS 15 N 0.00 0.50 -0.52 1.97 3.64 -1.75 -3.40 116.57 117.01 3kcr h LYS 15 Ca 0.00 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 3kcr h LYS 15 Cb 0.11 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3kcr h LYS 15 CO 0.00 0.91 0.00 -0.89 -2.27 0.00 0.00 179.45 177.20 3kcr n ILE 16 N -3.95 1.93 0.23 2.00 5.41 -0.99 -3.66 119.36 120.32 3kcr n ILE 16 Ca -0.03 -1.34 0.03 0.00 1.00 0.00 0.00 62.75 62.41 3kcr n ILE 16 Cb 0.60 0.06 -0.03 0.00 -0.71 0.00 0.00 39.64 39.55 3kcr n ILE 16 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3kcr n LEU 17 N 0.65 0.23 -0.67 1.39 4.77 -0.55 -4.39 117.00 118.43 3kcr n LEU 17 Ca 0.23 -0.45 0.07 0.00 -0.03 0.00 0.00 56.01 55.83 3kcr n LEU 17 Cb 0.86 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 42.16 3kcr n LEU 17 CO 0.21 0.06 0.67 0.29 -1.33 0.00 0.00 177.39 177.28 3kcr n LYS 18 N -1.18 1.84 -0.08 3.23 4.76 -1.24 -3.75 118.16 121.74 3kcr n LYS 18 Ca 0.01 -1.31 0.08 0.00 -2.87 0.00 0.00 58.31 54.22 3kcr n LYS 18 Cb 0.09 -1.31 0.12 0.00 -1.84 0.00 0.00 35.03 32.09 3kcr n LYS 18 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3kcr n GLN 19 N 0.55 1.73 -0.17 1.97 6.02 -1.26 -4.21 117.38 122.00 3kcr n GLN 19 Ca 0.13 -2.39 0.00 0.00 -0.01 0.00 0.00 57.00 54.73 3kcr n GLN 19 Cb 0.32 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.15 3kcr n GLN 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kcr n ALA 20 N -1.17 1.35 -1.59 -1.58 0.00 -1.25 -4.91 120.51 111.36 3kcr n ALA 20 Ca 0.13 -0.38 -0.36 0.00 0.00 0.00 0.00 53.44 52.84 3kcr n ALA 20 Cb 0.58 -0.10 0.07 0.00 0.00 0.00 0.00 19.45 20.01 3kcr n ALA 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3kcr s LYS 21 N 0.00 2.47 0.00 0.00 -2.85 -1.26 -3.76 119.74 114.33 3kcr s LYS 21 Ca 0.00 1.91 0.00 0.00 -1.00 0.00 0.00 55.97 56.88 3kcr s LYS 21 Cb 0.00 -1.85 0.00 0.00 -2.06 0.00 0.00 37.83 33.92 3kcr s LYS 21 CO 0.00 -1.62 0.00 0.41 0.10 0.00 0.00 175.35 174.24 3kcr n GLY 22 N 0.64 0.99 3.88 0.59 0.00 -1.26 -4.96 105.19 105.08 3kcr n GLY 22 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3kcr n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kcr s TYR 23 N -3.96 3.49 -0.83 1.61 4.12 -1.25 -4.96 117.35 115.56 3kcr s TYR 23 Ca 0.00 0.95 0.01 0.00 0.02 0.00 0.00 57.07 58.05 3kcr s TYR 23 Cb 0.00 -2.37 0.34 0.00 -1.52 0.00 0.00 41.96 38.41 3kcr s TYR 23 CO 0.00 -0.09 1.57 0.66 0.02 0.00 0.00 175.55 177.71 3kcr n TYR 24 N -1.39 3.20 0.00 2.71 4.02 -1.26 -4.17 117.16 120.26 3kcr n TYR 24 Ca 0.01 -2.94 0.00 0.00 -0.01 0.00 0.00 57.90 54.96 3kcr n TYR 24 Cb 0.54 -0.92 0.00 0.00 -0.02 0.00 0.00 39.34 38.94 3kcr n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kcr n GLY 25 N -0.22 1.47 0.18 2.72 0.00 -1.26 -4.91 105.19 103.16 3kcr n GLY 25 Ca 0.43 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.69 3kcr n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcr h ALA 26 N 2.00 1.00 -0.17 4.61 0.00 -1.94 -3.37 119.26 121.39 3kcr h ALA 26 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3kcr h ALA 26 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kcr h ALA 26 CO 0.00 0.00 0.31 0.00 0.00 0.00 0.00 179.25 179.56 3kcr h ARG 27 N 0.00 0.00 0.00 0.00 3.08 -1.80 -3.00 114.38 112.66 3kcr h ARG 27 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 3kcr h ARG 27 Cb 0.05 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3kcr h ARG 27 CO 0.00 0.00 -1.74 -1.13 -1.07 0.00 0.00 179.97 176.03 3kcr n SER 28 N -3.35 2.30 0.06 7.04 3.41 -1.25 -4.30 113.62 117.54 3kcr n SER 28 Ca 0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.48 3kcr n SER 28 Cb 0.42 0.82 -0.06 0.00 -0.26 0.00 0.00 64.21 65.13 3kcr n SER 28 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3kcr h ARG 29 N 0.00 0.46 -6.69 4.33 3.08 -1.73 -3.44 114.38 110.39 3kcr h ARG 29 Ca -0.28 -0.50 -0.69 0.00 0.07 0.00 0.00 59.98 58.58 3kcr h ARG 29 Cb 1.60 0.14 -0.24 0.00 0.08 0.00 0.00 29.97 31.55 3kcr h ARG 29 CO 0.02 1.15 -0.85 0.08 -1.07 0.00 0.00 179.97 179.30 3kcr s VAL 30 N -3.26 2.42 0.08 2.04 1.01 -1.26 -5.03 120.40 116.41 3kcr s VAL 30 Ca -0.06 -1.34 -0.33 0.00 0.00 0.00 0.00 61.98 60.25 3kcr s VAL 30 Cb 0.08 -1.99 -0.16 0.00 0.00 0.00 0.00 36.38 34.32 3kcr s VAL 30 CO 0.88 0.33 1.60 0.22 0.00 0.00 0.00 175.10 178.13 3kcr h TYR 31 N 4.61 -1.03 -0.96 5.22 3.20 -1.91 -1.71 116.97 124.40 3kcr h TYR 31 Ca -0.47 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.48 3kcr h TYR 31 Cb 1.15 0.38 -0.11 0.00 1.54 0.00 0.00 36.73 39.68 3kcr h TYR 31 CO 0.51 -0.56 -0.56 -2.13 -1.64 0.00 0.00 178.16 173.78 3kcr n ARG 32 N -5.51 -0.42 -1.38 1.82 3.00 -1.26 -0.79 116.66 112.13 3kcr n ARG 32 Ca -0.12 1.46 -0.25 0.00 -0.00 0.00 0.00 57.85 58.94 3kcr n ARG 32 Cb 0.40 -2.15 -0.03 0.00 0.00 0.00 0.00 32.46 30.68 3kcr n ARG 32 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3kcr n VAL 33 N -5.18 3.23 -1.69 5.15 0.24 -1.06 -2.00 118.33 117.02 3kcr n VAL 33 Ca 0.02 -2.76 0.00 0.00 -2.04 0.00 0.00 64.34 59.56 3kcr n VAL 33 Cb 0.25 -1.52 0.00 0.00 -1.47 0.00 0.00 33.84 31.10 3kcr n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kcr n ALA 34 N 0.68 1.36 -1.95 2.33 0.00 0.03 -3.79 120.51 119.18 3kcr n ALA 34 Ca 0.46 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3kcr n ALA 34 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.91 3kcr n ALA 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kcr n PHE 35 N 0.00 0.00 0.00 0.00 -0.00 -0.85 -4.66 117.46 111.95 3kcr n PHE 35 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3kcr n PHE 35 Cb 0.54 0.13 0.00 0.00 -0.00 0.00 0.00 39.48 40.15 3kcr n PHE 35 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 3kcr n GLN 36 N 0.00 2.08 -0.00 -4.13 7.27 -1.18 -4.92 117.38 116.50 3kcr n GLN 36 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.11 3kcr n GLN 36 Cb 0.57 -0.86 0.04 0.00 2.41 0.00 0.00 30.24 32.39 3kcr n GLN 36 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kcr n ALA 37 N -1.27 2.48 0.38 1.69 0.00 -1.26 -4.44 120.51 118.09 3kcr n ALA 37 Ca 0.00 -0.57 0.07 0.00 0.00 0.00 0.00 53.44 52.94 3kcr n ALA 37 Cb 0.13 -0.29 -0.10 0.00 0.00 0.00 0.00 19.45 19.18 3kcr n ALA 37 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3kcr n VAL 38 N 0.48 0.00 0.12 0.00 3.14 -1.26 -2.82 118.33 117.99 3kcr n VAL 38 Ca 0.05 -0.24 -0.06 0.00 -2.96 0.00 0.00 64.34 61.12 3kcr n VAL 38 Cb 0.22 0.60 -0.03 0.00 -1.06 0.00 0.00 33.84 33.56 3kcr n VAL 38 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 3kcr h ILE 39 N 0.00 0.00 -0.96 1.55 2.04 -1.96 -2.30 117.51 115.88 3kcr h ILE 39 Ca 0.00 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.16 3kcr h ILE 39 Cb 0.53 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.46 3kcr h ILE 39 CO 0.00 0.00 0.43 0.11 0.00 0.00 0.00 178.15 178.69 3kcr h LYS 40 N -0.37 0.24 0.05 2.37 1.57 -1.84 -1.18 116.57 117.41 3kcr h LYS 40 Ca -0.03 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3kcr h LYS 40 Cb 0.31 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 3kcr h LYS 40 CO 0.00 0.16 -0.17 0.00 -0.57 0.00 0.00 179.45 178.87 3kcr h ALA 41 N 1.85 -0.25 0.00 3.86 0.00 -1.35 0.31 119.26 123.68 3kcr h ALA 41 Ca 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.58 3kcr h ALA 41 Cb 1.51 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.58 3kcr h ALA 41 CO -0.65 -0.68 0.00 0.41 0.00 0.00 0.00 179.25 178.33 3kcr n GLY 42 N -1.30 -1.40 0.12 0.00 0.00 -0.56 -0.78 105.19 101.28 3kcr n GLY 42 Ca -0.06 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 3kcr n GLY 42 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kcr h GLN 43 N 0.00 0.33 0.00 1.61 1.08 -0.57 -2.69 115.11 114.88 3kcr h GLN 43 Ca 0.00 -0.51 -0.09 0.00 -1.45 0.00 0.00 58.65 56.59 3kcr h GLN 43 Cb 0.48 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 3kcr h GLN 43 CO 0.00 1.22 -0.66 1.88 -0.95 0.00 0.00 178.83 180.32 3kcr h TYR 44 N 0.12 0.00 -0.34 2.96 0.99 -0.56 -0.38 116.97 119.76 3kcr h TYR 44 Ca -0.14 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.58 3kcr h TYR 44 Cb 1.91 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 39.62 3kcr h TYR 44 CO 0.07 0.41 0.15 0.00 -0.00 0.00 0.00 178.16 178.79 3kcr h ALA 45 N 1.59 0.44 -0.23 3.88 0.00 -1.01 0.11 119.26 124.05 3kcr h ALA 45 Ca -0.04 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 3kcr h ALA 45 Cb 1.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3kcr h ALA 45 CO 0.05 0.02 -0.24 -0.92 0.00 0.00 0.00 179.25 178.16 3kcr h TYR 46 N 0.41 0.47 0.12 0.00 3.20 -1.27 -2.36 116.97 117.55 3kcr h TYR 46 Ca 0.12 -0.09 -0.30 0.00 3.14 0.00 0.00 58.73 61.59 3kcr h TYR 46 Cb 0.15 -0.12 0.03 0.00 1.54 0.00 0.00 36.73 38.33 3kcr h TYR 46 CO -0.01 0.64 -1.24 -0.09 -1.64 0.00 0.00 178.16 175.82 3kcr h ARG 47 N 0.38 0.61 -0.86 1.82 2.43 -0.66 -2.83 114.38 115.26 3kcr h ARG 47 Ca 0.06 -0.81 -0.14 0.00 -0.81 0.00 0.00 59.98 58.27 3kcr h ARG 47 Cb 0.63 0.27 -0.09 0.00 -0.42 0.00 0.00 29.97 30.37 3kcr h ARG 47 CO 0.05 1.37 0.18 -0.25 -1.51 0.00 0.00 179.97 179.81 3kcr n ASP 48 N -3.78 3.68 -0.00 -3.80 8.00 0.34 -0.92 116.55 120.07 3kcr n ASP 48 Ca -0.13 -2.75 0.10 0.00 0.71 0.00 0.00 54.79 52.72 3kcr n ASP 48 Cb 0.99 -0.66 -0.14 0.00 -0.02 0.00 0.00 41.12 41.29 3kcr n ASP 48 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kcr n ARG 49 N -0.02 0.34 -0.10 -1.24 1.74 -0.96 -1.79 116.66 114.62 3kcr n ARG 49 Ca 0.26 -0.10 -0.15 0.00 -0.77 0.00 0.00 57.85 57.09 3kcr n ARG 49 Cb 1.00 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 30.88 3kcr n ARG 49 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kcr n ARG 50 N -1.87 0.53 0.31 5.56 5.12 -0.72 -3.57 116.66 122.02 3kcr n ARG 50 Ca 0.00 0.37 0.18 0.00 -1.93 0.00 0.00 57.85 56.47 3kcr n ARG 50 Cb 0.44 -1.57 0.91 0.00 -1.16 0.00 0.00 32.46 31.09 3kcr n ARG 50 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 3kcr h GLN 51 N -1.00 0.00 0.42 5.56 4.15 -1.20 -1.84 115.11 121.21 3kcr h GLN 51 Ca -0.22 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.18 3kcr h GLN 51 Cb 1.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.76 3kcr h GLN 51 CO -0.13 0.00 -0.20 -0.09 -1.93 0.00 0.00 178.83 176.47 3kcr h ARG 52 N 0.00 -0.55 0.00 1.69 2.43 -1.41 -0.82 114.38 115.72 3kcr h ARG 52 Ca 0.02 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3kcr h ARG 52 Cb 0.52 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3kcr h ARG 52 CO -0.00 -0.37 0.00 1.63 -1.51 0.00 0.00 179.97 179.72 3kcr n LYS 53 N -3.71 0.07 -0.02 0.20 5.02 -0.96 -1.68 118.16 117.08 3kcr n LYS 53 Ca -0.07 0.23 -0.21 0.00 -2.02 0.00 0.00 58.31 56.24 3kcr n LYS 53 Cb 0.22 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.60 3kcr n LYS 53 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kcr n ARG 54 N -1.28 0.73 0.01 1.97 1.74 -0.73 -4.08 116.66 115.02 3kcr n ARG 54 Ca 0.02 0.26 -0.18 0.00 -0.77 0.00 0.00 57.85 57.18 3kcr n ARG 54 Cb 0.04 -1.68 -0.10 0.00 -1.02 0.00 0.00 32.46 29.69 3kcr n ARG 54 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3kcr h GLN 55 N -0.01 0.58 -0.27 5.56 4.20 -0.23 -3.16 115.11 121.78 3kcr h GLN 55 Ca -0.45 -0.59 -0.02 0.00 0.06 0.00 0.00 58.65 57.65 3kcr h GLN 55 Cb 1.97 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 29.90 3kcr h GLN 55 CO 0.04 1.20 0.08 0.74 -0.67 0.00 0.00 178.83 180.23 3kcr h PHE 56 N 0.19 0.44 -0.86 2.96 0.04 -1.76 -3.27 116.94 114.68 3kcr h PHE 56 Ca -0.09 -0.05 0.06 0.00 2.80 0.00 0.00 57.97 60.70 3kcr h PHE 56 Cb 1.46 -0.13 -0.06 0.00 2.20 0.00 0.00 35.95 39.42 3kcr h PHE 56 CO 0.12 0.48 0.53 -0.09 -0.60 0.00 0.00 178.31 178.75 3kcr h ARG 57 N 0.27 0.94 -0.13 1.51 2.43 -1.69 -1.47 114.38 116.24 3kcr h ARG 57 Ca 0.09 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3kcr h ARG 57 Cb 0.25 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3kcr h ARG 57 CO -0.00 0.62 0.00 0.00 -1.51 0.00 0.00 179.97 179.08 3kcr n GLN 58 N -4.62 1.61 -0.00 0.20 10.64 -1.23 -2.53 117.38 121.45 3kcr n GLN 58 Ca 0.12 -0.92 0.02 0.00 -1.83 0.00 0.00 57.00 54.40 3kcr n GLN 58 Cb 0.18 -1.38 -0.03 0.00 -0.86 0.00 0.00 30.24 28.15 3kcr n GLN 58 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3kcr n LEU 59 N 0.14 0.14 -0.03 2.61 4.77 -0.80 -0.91 117.00 122.92 3kcr n LEU 59 Ca 0.16 -0.33 -0.13 0.00 -0.03 0.00 0.00 56.01 55.67 3kcr n LEU 59 Cb 0.29 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.28 3kcr n LEU 59 CO 0.13 0.03 0.57 -0.50 -1.33 0.00 0.00 177.39 176.29 3kcr h TRP 60 N 0.00 0.11 -0.36 -1.77 6.55 -1.00 -3.14 115.95 116.34 3kcr h TRP 60 Ca 0.00 -0.04 0.08 0.00 0.95 0.00 0.00 58.89 59.88 3kcr h TRP 60 Cb 0.14 -0.02 -0.09 0.00 -0.86 0.00 0.00 29.16 28.33 3kcr h TRP 60 CO 0.00 0.65 -0.29 0.82 -1.05 0.00 0.00 178.44 178.57 3kcr h ILE 61 N -0.47 0.28 -0.85 1.49 2.04 -1.66 -1.37 117.51 116.97 3kcr h ILE 61 Ca -0.00 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.07 3kcr h ILE 61 Cb 0.65 0.28 -0.14 0.00 -0.74 0.00 0.00 36.82 36.87 3kcr h ILE 61 CO 0.01 0.00 0.10 0.00 0.00 0.00 0.00 178.15 178.26 3kcr h ALA 62 N 0.81 1.05 0.00 1.87 0.00 -0.99 -1.94 119.26 120.05 3kcr h ALA 62 Ca 0.17 0.25 -0.18 0.00 0.00 0.00 0.00 54.91 55.15 3kcr h ALA 62 Cb 0.51 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3kcr h ALA 62 CO -0.50 -0.46 -1.90 2.89 0.00 0.00 0.00 179.25 179.28 3kcr n ARG 63 N -5.32 0.65 -3.72 0.00 1.85 -1.19 -4.30 116.66 104.62 3kcr n ARG 63 Ca 0.18 0.02 -0.34 0.00 -1.00 0.00 0.00 57.85 56.71 3kcr n ARG 63 Cb 0.61 -1.63 -0.09 0.00 -1.05 0.00 0.00 32.46 30.30 3kcr n ARG 63 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3kcr s ILE 64 N -2.97 3.84 0.41 8.89 -1.09 -0.52 -2.56 121.20 127.19 3kcr s ILE 64 Ca -0.07 -3.72 0.00 0.00 -2.23 0.00 0.00 60.65 54.63 3kcr s ILE 64 Cb 0.09 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.53 3kcr s ILE 64 CO 0.85 -1.01 0.00 -3.20 -1.23 0.00 0.00 174.94 170.35 3kcr n ASN 65 N 2.56 -2.48 0.00 3.58 5.15 -1.07 -4.33 115.26 118.68 3kcr n ASN 65 Ca 0.17 0.75 0.00 0.00 -0.60 0.00 0.00 54.58 54.90 3kcr n ASN 65 Cb 0.37 2.40 0.00 0.00 -0.53 0.00 0.00 39.78 42.02 3kcr n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kcr n ALA 66 N -3.50 1.68 -0.48 5.20 0.00 -1.26 -2.87 120.51 119.27 3kcr n ALA 66 Ca 0.00 -0.80 0.10 0.00 0.00 0.00 0.00 53.44 52.74 3kcr n ALA 66 Cb 0.00 0.00 0.34 0.00 0.00 0.00 0.00 19.45 19.79 3kcr n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcr n ALA 67 N -0.31 2.90 -1.26 0.00 0.00 -1.06 -3.38 120.51 117.39 3kcr n ALA 67 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 51.97 3kcr n ALA 67 Cb 0.31 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3kcr n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcr n ALA 68 N 1.26 1.27 0.35 0.00 0.00 -1.25 -4.49 120.51 117.64 3kcr n ALA 68 Ca 0.25 -0.63 0.10 0.00 0.00 0.00 0.00 53.44 53.16 3kcr n ALA 68 Cb 0.80 -0.13 -0.14 0.00 0.00 0.00 0.00 19.45 19.98 3kcr n ALA 68 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kcr n ARG 69 N -0.00 0.53 -0.18 0.00 0.63 -1.14 -1.03 116.66 115.46 3kcr n ARG 69 Ca 0.00 -0.12 0.06 0.00 -0.92 0.00 0.00 57.85 56.88 3kcr n ARG 69 Cb 0.55 -1.48 0.15 0.00 0.45 0.00 0.00 32.46 32.13 3kcr n ARG 69 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kcr n GLN 70 N -1.94 2.46 -0.47 -0.14 10.64 -1.25 -3.83 117.38 122.85 3kcr n GLN 70 Ca -0.01 -2.31 0.00 0.00 -1.83 0.00 0.00 57.00 52.85 3kcr n GLN 70 Cb 0.46 -1.44 0.00 0.00 -0.86 0.00 0.00 30.24 28.40 3kcr n GLN 70 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3kcr n ASN 71 N -0.56 0.00 0.00 2.61 3.02 -1.26 -5.08 115.26 113.99 3kcr n ASN 71 Ca 0.13 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 3kcr n ASN 71 Cb 0.58 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 3kcr n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kcr n GLY 72 N 0.00 -0.59 3.22 7.41 0.00 -1.01 -4.86 105.19 109.36 3kcr n GLY 72 Ca 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 3kcr n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kcr s ILE 73 N -0.42 0.01 0.46 -0.61 2.07 -0.20 -4.41 121.20 118.10 3kcr s ILE 73 Ca 0.00 -2.00 -0.24 0.00 -1.41 0.00 0.00 60.65 57.00 3kcr s ILE 73 Cb 0.00 -2.50 -0.08 0.00 0.13 0.00 0.00 42.46 40.01 3kcr s ILE 73 CO 0.00 0.00 1.34 -1.20 -1.91 0.00 0.00 174.94 173.17 3kcr n SER 74 N -0.61 2.81 -0.29 4.50 7.64 -1.26 -3.75 113.62 122.67 3kcr n SER 74 Ca 0.03 1.08 0.09 0.00 1.01 0.00 0.00 58.87 61.08 3kcr n SER 74 Cb 0.65 -1.55 0.25 0.00 -1.01 0.00 0.00 64.21 62.55 3kcr n SER 74 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3kcr h TYR 75 N 1.99 0.60 -0.12 1.43 3.20 -1.91 -2.32 116.97 119.84 3kcr h TYR 75 Ca -0.50 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.36 3kcr h TYR 75 Cb 1.29 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 3kcr h TYR 75 CO 0.48 0.03 -0.18 0.77 -1.64 0.00 0.00 178.16 177.61 3kcr h SER 76 N 0.45 0.19 -0.01 -2.11 0.02 -1.94 -1.50 113.55 108.64 3kcr h SER 76 Ca 0.49 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 3kcr h SER 76 Cb 0.82 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.31 3kcr h SER 76 CO -0.46 0.39 -0.03 0.29 -1.14 0.00 0.00 176.83 175.88 3kcr n LYS 77 N -4.24 0.82 -0.00 3.45 4.76 -0.96 -4.29 118.16 117.70 3kcr n LYS 77 Ca -0.01 -1.15 0.07 0.00 -2.87 0.00 0.00 58.31 54.35 3kcr n LYS 77 Cb 0.30 -1.22 -0.09 0.00 -1.84 0.00 0.00 35.03 32.18 3kcr n LYS 77 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3kcr n PHE 78 N 0.57 0.00 1.00 2.13 7.35 -0.80 -3.84 117.46 123.86 3kcr n PHE 78 Ca 0.07 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.87 3kcr n PHE 78 Cb 0.29 -0.15 0.13 0.00 0.35 0.00 0.00 39.48 40.11 3kcr n PHE 78 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 3kcr n ILE 79 N -1.63 0.00 0.94 -2.13 3.06 -0.63 -2.91 119.36 116.06 3kcr n ILE 79 Ca 0.00 -0.00 0.09 0.00 -2.50 0.00 0.00 62.75 60.34 3kcr n ILE 79 Cb 0.28 0.50 -0.10 0.00 0.54 0.00 0.00 39.64 40.86 3kcr n ILE 79 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 3kcr n ASN 80 N -1.48 1.02 0.16 9.51 4.13 -1.25 -3.68 115.26 123.66 3kcr n ASN 80 Ca 0.05 -1.01 0.09 0.00 1.68 0.00 0.00 54.58 55.39 3kcr n ASN 80 Cb 0.33 0.96 0.07 0.00 -1.54 0.00 0.00 39.78 39.61 3kcr n ASN 80 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 3kcr h GLY 81 N 4.70 0.00 2.00 7.41 0.00 -1.63 0.79 103.07 116.33 3kcr h GLY 81 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3kcr h GLY 81 CO 0.00 0.00 -0.44 1.41 0.00 0.00 0.00 176.54 177.51 3kcr h LEU 82 N 0.00 0.00 -2.17 3.11 3.38 -1.68 0.15 115.31 118.10 3kcr h LEU 82 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kcr h LEU 82 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3kcr h LEU 82 CO 0.02 0.44 0.00 0.29 0.09 0.00 0.00 178.44 179.28 3kcr n LYS 83 N -3.33 2.35 -0.08 1.13 5.02 -1.02 -0.29 118.16 121.93 3kcr n LYS 83 Ca 0.01 -2.11 -0.10 0.00 -2.02 0.00 0.00 58.31 54.09 3kcr n LYS 83 Cb 0.64 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 34.08 3kcr n LYS 83 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3kcr n LYS 84 N 1.38 1.02 0.08 1.97 4.81 0.24 -3.86 118.16 123.79 3kcr n LYS 84 Ca 0.17 0.05 0.12 0.00 -0.87 0.00 0.00 58.31 57.78 3kcr n LYS 84 Cb 0.58 -1.37 0.27 0.00 0.02 0.00 0.00 35.03 34.53 3kcr n LYS 84 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kcr n ALA 85 N -2.80 2.68 -0.56 3.14 0.00 0.49 -4.65 120.51 118.80 3kcr n ALA 85 Ca -0.29 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3kcr n ALA 85 Cb 0.91 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3kcr n ALA 85 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kcr n SER 86 N -2.15 -4.20 -0.64 0.00 7.64 0.60 -4.92 113.62 109.95 3kcr n SER 86 Ca 0.04 0.41 0.07 0.00 1.01 0.00 0.00 58.87 60.40 3kcr n SER 86 Cb 0.43 -0.86 -0.02 0.00 -1.01 0.00 0.00 64.21 62.76 3kcr n SER 86 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3kcr n VAL 87 N -0.28 0.00 -3.39 0.44 0.24 -1.24 -4.90 118.33 109.21 3kcr n VAL 87 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.12 3kcr n VAL 87 Cb 0.00 -0.17 0.07 0.00 -1.47 0.00 0.00 33.84 32.26 3kcr n VAL 87 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kcr n GLU 88 N -1.94 -3.19 0.00 7.34 -0.58 -1.26 -4.60 120.64 116.41 3kcr n GLU 88 Ca 0.00 0.78 0.02 0.00 -0.42 0.00 0.00 57.16 57.55 3kcr n GLU 88 Cb 0.23 -5.53 -0.02 0.00 -0.57 0.00 0.00 31.44 25.55 3kcr n GLU 88 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3kcr n ILE 89 N -3.64 0.00 -0.22 -3.67 5.41 -1.26 -4.89 119.36 111.09 3kcr n ILE 89 Ca -0.14 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.21 3kcr n ILE 89 Cb 0.63 1.01 0.00 0.00 -0.71 0.00 0.00 39.64 40.57 3kcr n ILE 89 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3kcr n ASP 90 N -0.96 0.00 0.00 4.38 9.92 -1.26 -4.76 116.55 123.87 3kcr n ASP 90 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 3kcr n ASP 90 Cb 0.08 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.56 3kcr n ASP 90 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3kcr n ARG 91 N 0.36 0.00 0.00 -1.24 1.74 -1.26 -4.46 116.66 111.79 3kcr n ARG 91 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kcr n ARG 91 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3kcr n ARG 91 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kcr n LYS 92 N 0.00 1.16 -0.17 5.56 5.02 -1.26 -4.76 118.16 123.72 3kcr n LYS 92 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 3kcr n LYS 92 Cb 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 3kcr n LYS 92 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3kcr h ILE 93 N 0.00 1.23 -2.52 -0.18 -0.00 -1.91 -3.36 117.51 110.77 3kcr h ILE 93 Ca 0.00 -0.80 -0.55 0.00 -0.00 0.00 0.00 64.86 63.51 3kcr h ILE 93 Cb 0.00 0.84 -0.03 0.00 -0.00 0.00 0.00 36.82 37.63 3kcr h ILE 93 CO 0.00 0.29 1.27 -0.76 -0.00 0.00 0.00 178.15 178.95 3kcr s LEU 94 N -9.64 3.44 0.00 2.19 1.43 -1.26 -3.32 118.68 111.52 3kcr s LEU 94 Ca -0.13 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 3kcr s LEU 94 Cb 0.11 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 43.16 3kcr s LEU 94 CO 0.79 -1.90 0.00 0.00 0.23 0.00 0.00 176.35 175.46 3kcr n ALA 95 N 10.93 0.00 0.38 4.21 0.00 -1.26 -4.75 120.51 130.02 3kcr n ALA 95 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.77 3kcr n ALA 95 Cb 0.49 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.12 3kcr n ALA 95 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kcr h ASP 96 N 0.00 0.00 -0.22 0.00 3.45 -1.87 -3.37 116.42 114.41 3kcr h ASP 96 Ca 0.00 -0.06 -0.13 0.00 0.43 0.00 0.00 57.03 57.27 3kcr h ASP 96 Cb 0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 39.33 38.68 3kcr h ASP 96 CO 0.00 0.03 -0.35 2.30 -1.57 0.00 0.00 179.24 179.65 3kcr n ILE 97 N -2.56 2.40 -1.53 0.35 -5.35 -1.25 -3.03 119.36 108.40 3kcr n ILE 97 Ca 0.03 -3.15 0.00 0.00 -0.27 0.00 0.00 62.75 59.36 3kcr n ILE 97 Cb 0.49 -0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.02 3kcr n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kcr n ALA 98 N -1.08 1.12 -1.37 -1.28 0.00 -1.20 -4.42 120.51 112.29 3kcr n ALA 98 Ca 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3kcr n ALA 98 Cb 0.85 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.27 3kcr n ALA 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kcr n VAL 99 N 0.00 0.00 -2.19 0.00 0.31 -1.17 -4.36 118.33 110.92 3kcr n VAL 99 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 3kcr n VAL 99 Cb 0.51 -0.47 -0.02 0.00 -0.91 0.00 0.00 33.84 32.96 3kcr n VAL 99 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 3kcr s PHE 100 N 0.00 3.01 -0.94 3.52 -0.12 -1.22 -3.08 117.98 119.17 3kcr s PHE 100 Ca 0.00 1.49 -0.01 0.00 -0.05 0.00 0.00 56.93 58.36 3kcr s PHE 100 Cb 0.00 -3.53 0.00 0.00 -0.63 0.00 0.00 43.02 38.86 3kcr s PHE 100 CO 0.00 -1.62 0.79 -3.47 -0.05 0.00 0.00 175.22 170.86 3kcr n ASP 101 N 0.30 -2.63 -0.38 1.98 2.03 -1.26 -3.80 116.55 112.78 3kcr n ASP 101 Ca 0.03 -0.46 0.12 0.00 0.52 0.00 0.00 54.79 55.00 3kcr n ASP 101 Cb 0.45 -4.01 0.52 0.00 -0.72 0.00 0.00 41.12 37.35 3kcr n ASP 101 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3kcr n LYS 102 N -3.48 1.51 0.21 -0.67 4.81 -1.18 -1.76 118.16 117.59 3kcr n LYS 102 Ca -0.18 -0.75 0.10 0.00 -0.87 0.00 0.00 58.31 56.61 3kcr n LYS 102 Cb 0.61 -1.42 0.17 0.00 0.02 0.00 0.00 35.03 34.42 3kcr n LYS 102 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 3kcr h VAL 103 N 1.64 0.19 -3.00 3.15 -1.51 -1.89 -2.46 116.25 112.37 3kcr h VAL 103 Ca 0.00 -1.24 -0.80 0.00 -1.23 0.00 0.00 66.70 63.43 3kcr h VAL 103 Cb 0.35 2.06 -0.27 0.00 -2.13 0.00 0.00 31.29 31.31 3kcr h VAL 103 CO 0.00 0.11 0.78 0.00 -1.23 0.00 0.00 177.57 177.23 3kcr n ALA 104 N -2.13 4.83 0.00 5.19 0.00 -0.72 -3.85 120.51 123.83 3kcr n ALA 104 Ca 0.03 -4.71 0.00 0.00 0.00 0.00 0.00 53.44 48.77 3kcr n ALA 104 Cb 0.56 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.55 3kcr n ALA 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kcr n PHE 105 N 2.12 0.00 0.00 0.00 7.35 -0.92 -4.16 117.46 121.85 3kcr n PHE 105 Ca 0.27 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 3kcr n PHE 105 Cb 0.36 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.19 3kcr n PHE 105 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3kcr n THR 106 N 0.00 0.00 -2.00 -2.13 -2.24 -1.24 -4.71 114.28 101.96 3kcr n THR 106 Ca 0.00 -0.16 -0.01 0.00 -2.27 0.00 0.00 64.05 61.60 3kcr n THR 106 Cb 0.00 0.88 -0.01 0.00 -2.10 0.00 0.00 70.33 69.09 3kcr n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kcr n ALA 107 N -0.42 2.29 0.59 6.98 0.00 -1.26 -4.52 120.51 124.17 3kcr n ALA 107 Ca 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.38 3kcr n ALA 107 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 19.45 19.34 3kcr n ALA 107 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kcr n LEU 108 N 0.00 0.82 0.10 0.00 4.77 -1.26 -1.10 117.00 120.33 3kcr n LEU 108 Ca -0.05 -0.57 0.13 0.00 -0.03 0.00 0.00 56.01 55.49 3kcr n LEU 108 Cb 0.53 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.98 3kcr n LEU 108 CO -0.02 0.18 0.77 0.52 -1.33 0.00 0.00 177.39 177.51 3kcr n VAL 109 N -0.99 0.55 0.02 4.08 0.31 -1.26 -2.64 118.33 118.39 3kcr n VAL 109 Ca 0.03 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3kcr n VAL 109 Cb 0.22 -0.48 -0.00 0.00 -0.91 0.00 0.00 33.84 32.66 3kcr n VAL 109 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kcr n GLU 110 N -2.23 3.92 -0.12 5.55 -0.58 -1.22 -2.20 120.64 123.75 3kcr n GLU 110 Ca 0.05 -0.20 -0.13 0.00 -0.42 0.00 0.00 57.16 56.46 3kcr n GLU 110 Cb 0.43 -0.70 -0.02 0.00 -0.57 0.00 0.00 31.44 30.58 3kcr n GLU 110 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3kcr h LYS 111 N 0.03 0.95 -0.51 3.49 1.63 -1.01 0.32 116.57 121.46 3kcr h LYS 111 Ca 0.00 -0.49 -0.06 0.00 -0.85 0.00 0.00 60.65 59.25 3kcr h LYS 111 Cb 0.01 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 3kcr h LYS 111 CO 0.00 1.15 0.09 0.00 -3.45 0.00 0.00 179.45 177.24 3kcr h ALA 112 N 0.79 0.68 -0.58 5.00 0.00 -1.59 -2.43 119.26 121.13 3kcr h ALA 112 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kcr h ALA 112 Cb 0.96 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3kcr h ALA 112 CO 0.09 0.41 0.00 1.63 0.00 0.00 0.00 179.25 181.38 3kcr n LYS 113 N -4.41 4.61 0.10 0.00 5.02 -0.94 -2.35 118.16 120.19 3kcr n LYS 113 Ca 0.01 -3.02 -0.05 0.00 -2.02 0.00 0.00 58.31 53.24 3kcr n LYS 113 Cb 0.25 -2.19 0.04 0.00 -0.02 0.00 0.00 35.03 33.12 3kcr n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kcr h ALA 114 N 3.99 0.68 -0.01 7.82 0.00 0.17 -3.14 119.26 128.78 3kcr h ALA 114 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3kcr h ALA 114 Cb 1.85 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3kcr h ALA 114 CO 0.44 0.95 0.00 0.00 0.00 0.00 0.00 179.25 180.64 3kcr n ALA 115 N -2.41 2.48 0.00 0.00 0.00 -1.19 -4.91 120.51 114.49 3kcr n ALA 115 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3kcr n ALA 115 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.11 3kcr n ALA 115 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3kcr n LEU 116 N 0.15 0.00 0.00 0.00 7.94 -1.04 -4.87 117.00 119.18 3kcr n LEU 116 Ca 0.02 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.97 3kcr n LEU 116 Cb 0.08 0.00 0.29 0.00 0.53 0.00 0.00 43.42 44.32 3kcr n LEU 116 CO 0.02 0.00 0.51 0.00 -1.11 0.00 0.00 177.39 176.81