#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr h ASN 2 N 0.00 0.33 -0.35 -3.46 4.21 -2.09 -3.36 115.58 110.87 3kcr h ASN 2 Ca 0.00 -0.20 -0.09 0.00 1.21 0.00 0.00 56.30 57.23 3kcr h ASN 2 Cb 0.00 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.09 3kcr h ASN 2 CO 0.00 0.44 -0.08 0.40 -1.29 0.00 0.00 177.43 176.90 3kcr h ILE 3 N 0.21 1.25 -4.86 2.81 1.08 -2.08 -3.43 117.51 112.50 3kcr h ILE 3 Ca 0.07 -1.12 -0.37 0.00 -0.39 0.00 0.00 64.86 63.06 3kcr h ILE 3 Cb 0.22 1.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.92 3kcr h ILE 3 CO -0.00 0.38 -0.23 2.30 -0.69 0.00 0.00 178.15 179.91 3kcr n ILE 4 N -4.18 0.00 -0.84 -0.67 -6.64 -1.26 -4.62 119.36 101.15 3kcr n ILE 4 Ca 0.02 -1.36 0.00 0.00 -1.77 0.00 0.00 62.75 59.63 3kcr n ILE 4 Cb 0.35 0.04 0.00 0.00 -1.44 0.00 0.00 39.64 38.59 3kcr n ILE 4 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3kcr n LYS 5 N -1.00 0.00 0.00 6.28 5.02 -1.26 -4.39 118.16 122.81 3kcr n LYS 5 Ca -0.07 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3kcr n LYS 5 Cb 0.38 -2.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.16 3kcr n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kcr n GLN 6 N -1.91 0.00 -0.18 1.97 10.64 -1.26 -4.90 117.38 121.74 3kcr n GLN 6 Ca 0.00 0.00 0.09 0.00 -1.83 0.00 0.00 57.00 55.26 3kcr n GLN 6 Cb 0.13 0.00 0.15 0.00 -0.86 0.00 0.00 30.24 29.66 3kcr n GLN 6 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3kcr n LEU 7 N 0.00 2.38 0.10 2.61 4.77 -1.26 -4.69 117.00 120.91 3kcr n LEU 7 Ca 0.00 -3.21 0.08 0.00 -0.03 0.00 0.00 56.01 52.85 3kcr n LEU 7 Cb 0.09 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.73 3kcr n LEU 7 CO 0.00 0.84 0.02 -0.33 -1.33 0.00 0.00 177.39 176.58 3kcr h GLU 8 N 0.19 0.00 -1.36 3.23 4.39 -1.98 -3.32 114.58 115.73 3kcr h GLU 8 Ca -0.00 0.00 0.42 0.00 0.34 0.00 0.00 59.36 60.12 3kcr h GLU 8 Cb 1.01 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.55 3kcr h GLU 8 CO 0.00 0.10 0.91 1.96 -1.16 0.00 0.00 179.01 180.82 3kcr h GLN 9 N 0.00 0.10 0.00 2.33 1.08 -1.98 -2.24 115.11 114.40 3kcr h GLN 9 Ca -0.04 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3kcr h GLN 9 Cb 1.17 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 3kcr h GLN 9 CO 0.01 0.07 0.00 0.93 -0.95 0.00 0.00 178.83 178.89 3kcr h GLU 10 N 0.10 0.00 0.00 1.46 5.08 -1.96 -2.52 114.58 116.74 3kcr h GLU 10 Ca 0.78 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.14 3kcr h GLU 10 Cb 2.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.82 3kcr h GLU 10 CO -0.30 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 178.75 3kcr n GLN 11 N -2.42 5.10 -1.77 2.33 6.02 -0.85 -5.08 117.38 120.71 3kcr n GLN 11 Ca 0.00 -0.01 -0.40 0.00 -0.01 0.00 0.00 57.00 56.58 3kcr n GLN 11 Cb 0.17 -0.39 0.02 0.00 1.02 0.00 0.00 30.24 31.06 3kcr n GLN 11 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3kcr n MET 12 N -0.73 2.35 0.00 -1.09 2.81 -0.95 -4.65 117.12 114.86 3kcr n MET 12 Ca 0.00 0.84 0.00 0.00 -1.81 0.00 0.00 57.70 56.73 3kcr n MET 12 Cb 0.00 -2.65 0.00 0.00 -0.71 0.00 0.00 33.22 29.86 3kcr n MET 12 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3kcr n LYS 13 N -0.09 0.00 -4.24 0.03 0.00 -1.26 -5.06 118.16 107.54 3kcr n LYS 13 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.22 3kcr n LYS 13 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.34 3kcr n LYS 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 3kcr s GLN 14 N 0.00 1.16 0.00 1.64 -1.52 -1.26 -3.91 119.66 115.77 3kcr s GLN 14 Ca 0.00 -1.58 0.00 0.00 -1.95 0.00 0.00 55.36 51.83 3kcr s GLN 14 Cb 0.00 -0.18 0.00 0.00 -0.22 0.00 0.00 33.01 32.61 3kcr s GLN 14 CO 0.00 -0.19 0.01 -0.40 -0.25 0.00 0.00 175.29 174.46 3kcr n ASP 15 N -0.27 0.00 -4.22 5.90 5.75 -1.26 -4.99 116.55 117.46 3kcr n ASP 15 Ca -0.05 -0.15 -0.34 0.00 -0.01 0.00 0.00 54.79 54.25 3kcr n ASP 15 Cb 0.64 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.58 3kcr n ASP 15 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3kcr s VAL 16 N 0.00 2.61 0.00 2.12 1.01 -1.26 -3.01 120.40 121.86 3kcr s VAL 16 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3kcr s VAL 16 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.26 3kcr s VAL 16 CO 0.00 0.50 0.00 -2.65 0.00 0.00 0.00 175.10 172.95 3kcr n PRO 17 N 4.45 -0.30 -3.47 2.72 -0.02 -1.26 -5.07 135.00 132.05 3kcr n PRO 17 Ca -0.20 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 60.99 3kcr n PRO 17 Cb 0.51 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.95 3kcr n PRO 17 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3kcr s SER 18 N -1.46 6.49 0.33 2.55 0.01 -1.26 -5.09 113.70 115.27 3kcr s SER 18 Ca 0.00 0.70 -0.12 0.00 1.31 0.00 0.00 55.95 57.84 3kcr s SER 18 Cb 0.00 -2.13 0.02 0.00 0.21 0.00 0.00 66.02 64.12 3kcr s SER 18 CO 0.00 -0.10 0.62 -0.36 0.41 0.00 0.00 173.24 173.81 3kcr s PHE 19 N -1.91 0.41 0.00 2.43 0.08 -1.26 -4.87 117.98 112.86 3kcr s PHE 19 Ca 0.43 -0.86 0.00 0.00 0.12 0.00 0.00 56.93 56.63 3kcr s PHE 19 Cb -0.11 0.41 0.00 0.00 -0.57 0.00 0.00 43.02 42.74 3kcr s PHE 19 CO 0.27 -1.27 0.00 -2.13 -0.10 0.00 0.00 175.22 171.99 3kcr n ARG 20 N -0.50 0.00 -1.46 0.44 3.00 -1.26 -5.06 116.66 111.82 3kcr n ARG 20 Ca -0.04 0.00 -0.47 0.00 -0.00 0.00 0.00 57.85 57.34 3kcr n ARG 20 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.04 3kcr n ARG 20 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3kcr n PRO 21 N 0.00 0.40 -0.40 -0.14 -0.02 -1.26 -4.20 135.00 129.40 3kcr n PRO 21 Ca 0.00 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3kcr n PRO 21 Cb 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3kcr n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kcr n GLY 22 N 1.77 0.43 3.12 -1.23 0.00 -0.58 -4.35 105.19 104.35 3kcr n GLY 22 Ca 0.16 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 3kcr n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kcr s ASP 23 N -1.14 -0.11 0.21 1.61 1.01 -1.26 -1.17 116.67 115.82 3kcr s ASP 23 Ca 0.00 0.11 -0.04 0.00 0.71 0.00 0.00 52.55 53.34 3kcr s ASP 23 Cb 0.00 0.32 0.18 0.00 1.01 0.00 0.00 42.92 44.43 3kcr s ASP 23 CO 0.00 -0.25 1.59 0.74 0.21 0.00 0.00 175.17 177.46 3kcr h THR 24 N 4.45 1.28 -1.39 -1.27 2.02 0.78 -3.34 112.91 115.45 3kcr h THR 24 Ca -0.28 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.42 3kcr h THR 24 Cb 1.19 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 3kcr h THR 24 CO 0.39 0.48 0.00 1.33 0.37 0.00 0.00 175.52 178.09 3kcr n VAL 25 N -4.06 0.00 0.00 3.16 0.24 0.20 -3.37 118.33 114.49 3kcr n VAL 25 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 3kcr n VAL 25 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 3kcr n VAL 25 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3kcr n GLU 26 N -1.38 0.00 -2.99 7.34 2.13 -0.97 -4.45 120.64 120.32 3kcr n GLU 26 Ca 0.00 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 3kcr n GLU 26 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 3kcr n GLU 26 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3kcr s VAL 27 N 0.00 4.41 -0.22 6.31 1.01 -0.48 -0.30 120.40 131.13 3kcr s VAL 27 Ca 0.00 1.68 0.01 0.00 0.00 0.00 0.00 61.98 63.68 3kcr s VAL 27 Cb 0.00 -4.13 0.04 0.00 0.00 0.00 0.00 36.38 32.29 3kcr s VAL 27 CO 0.00 0.51 -0.14 -0.54 0.00 0.00 0.00 175.10 174.93 3kcr s LYS 28 N -1.04 2.67 0.01 2.72 1.02 -0.13 -0.69 119.74 124.29 3kcr s LYS 28 Ca 0.36 -1.06 0.06 0.00 0.02 0.00 0.00 55.97 55.35 3kcr s LYS 28 Cb -0.23 -2.77 -0.02 0.00 -0.52 0.00 0.00 37.83 34.29 3kcr s LYS 28 CO 0.26 -0.38 -0.19 0.14 -0.92 0.00 0.00 175.35 174.26 3kcr s VAL 29 N 1.22 1.50 -0.08 3.17 -7.23 -0.83 -3.22 120.40 114.94 3kcr s VAL 29 Ca -0.01 -0.97 -0.32 0.00 -1.81 0.00 0.00 61.98 58.86 3kcr s VAL 29 Cb -0.16 -1.28 -0.10 0.00 0.56 0.00 0.00 36.38 35.39 3kcr s VAL 29 CO -0.08 0.28 1.97 0.79 -0.31 0.00 0.00 175.10 177.75 3kcr n TRP 30 N 2.24 2.32 -2.77 2.82 8.01 -1.14 -1.40 117.44 127.51 3kcr n TRP 30 Ca -0.16 -0.13 -0.42 0.00 -1.31 0.00 0.00 57.50 55.48 3kcr n TRP 30 Cb 0.54 -2.71 -0.03 0.00 -2.01 0.00 0.00 31.31 27.09 3kcr n TRP 30 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3kcr s VAL 31 N 4.84 4.81 -0.03 -0.99 1.01 0.11 -4.85 120.40 125.30 3kcr s VAL 31 Ca 0.93 1.86 0.06 0.00 0.00 0.00 0.00 61.98 64.83 3kcr s VAL 31 Cb -0.58 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.55 3kcr s VAL 31 CO 0.47 -0.02 -0.20 -0.69 0.00 0.00 0.00 175.10 174.66 3kcr s VAL 32 N 2.31 1.58 -0.02 2.92 1.01 -1.26 -0.33 120.40 126.61 3kcr s VAL 32 Ca 0.43 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.63 3kcr s VAL 32 Cb -0.17 -1.32 0.10 0.00 0.00 0.00 0.00 36.38 34.99 3kcr s VAL 32 CO 0.13 0.45 1.05 -0.62 0.00 0.00 0.00 175.10 176.10 3kcr n GLU 33 N 2.75 0.19 -1.04 2.72 1.02 -1.26 -4.79 120.64 120.22 3kcr n GLU 33 Ca -0.16 -1.37 -0.01 0.00 -0.02 0.00 0.00 57.16 55.59 3kcr n GLU 33 Cb 0.53 -0.58 -0.01 0.00 -0.02 0.00 0.00 31.44 31.37 3kcr n GLU 33 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kcr n GLY 34 N -0.13 0.51 0.00 0.62 0.00 -1.26 -4.68 105.19 100.26 3kcr n GLY 34 Ca 0.03 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3kcr n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kcr n SER 35 N 0.56 0.00 -4.22 1.61 3.41 -1.26 -5.13 113.62 108.59 3kcr n SER 35 Ca -0.01 -0.52 -0.13 0.00 -0.26 0.00 0.00 58.87 57.95 3kcr n SER 35 Cb 0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 3kcr n SER 35 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3kcr s LYS 36 N 0.00 1.06 0.00 4.33 -0.14 -1.26 -5.00 119.74 118.73 3kcr s LYS 36 Ca 0.00 -1.51 0.01 0.00 -1.36 0.00 0.00 55.97 53.11 3kcr s LYS 36 Cb 0.00 -0.16 0.02 0.00 -1.68 0.00 0.00 37.83 36.01 3kcr s LYS 36 CO 0.00 -0.16 0.72 1.63 -0.76 0.00 0.00 175.35 176.79 3kcr n LYS 37 N -0.21 0.00 -0.72 1.68 4.76 0.55 -4.03 118.16 120.19 3kcr n LYS 37 Ca -0.06 -0.47 -0.32 0.00 -2.87 0.00 0.00 58.31 54.59 3kcr n LYS 37 Cb 0.63 -0.12 0.15 0.00 -1.84 0.00 0.00 35.03 33.86 3kcr n LYS 37 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kcr n ARG 38 N 0.02 -0.68 -3.89 1.97 1.74 -0.83 -4.32 116.66 110.66 3kcr n ARG 38 Ca -0.02 -0.15 -0.25 0.00 -0.77 0.00 0.00 57.85 56.65 3kcr n ARG 38 Cb 0.60 -2.00 -0.17 0.00 -1.02 0.00 0.00 32.46 29.88 3kcr n ARG 38 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kcr s LEU 39 N -3.02 1.02 -0.18 0.55 1.43 -1.24 0.06 118.68 117.30 3kcr s LEU 39 Ca 0.60 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 53.42 3kcr s LEU 39 Cb -0.21 -0.71 -0.03 0.00 0.03 0.00 0.00 46.19 45.27 3kcr s LEU 39 CO 0.65 -0.14 0.02 -1.10 0.23 0.00 0.00 176.35 176.01 3kcr s GLN 40 N 1.73 3.79 0.53 1.70 -1.52 -0.49 -4.56 119.66 120.83 3kcr s GLN 40 Ca 0.04 -0.44 -0.22 0.00 -1.95 0.00 0.00 55.36 52.78 3kcr s GLN 40 Cb -0.13 -3.10 -0.06 0.00 -0.22 0.00 0.00 33.01 29.51 3kcr s GLN 40 CO -0.07 0.18 1.38 0.00 -0.25 0.00 0.00 175.29 176.53 3kcr s ALA 41 N 0.58 2.91 -0.46 6.09 0.00 -1.25 -1.96 121.76 127.67 3kcr s ALA 41 Ca 0.00 1.37 0.07 0.00 0.00 0.00 0.00 51.96 53.40 3kcr s ALA 41 Cb -0.14 -3.57 0.23 0.00 0.00 0.00 0.00 23.12 19.64 3kcr s ALA 41 CO 0.02 -1.34 0.72 0.34 0.00 0.00 0.00 175.76 175.50 3kcr n PHE 42 N -0.85 -2.45 -3.14 0.00 -0.00 0.13 -4.93 117.46 106.22 3kcr n PHE 42 Ca 0.09 -2.30 -0.40 0.00 -0.00 0.00 0.00 57.45 54.85 3kcr n PHE 42 Cb 0.44 0.94 -0.06 0.00 -0.00 0.00 0.00 39.48 40.81 3kcr n PHE 42 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 3kcr s GLU 43 N 0.18 4.27 0.00 -4.13 2.12 -1.26 -1.38 118.70 118.49 3kcr s GLU 43 Ca 0.33 0.62 0.00 0.00 0.36 0.00 0.00 54.97 56.28 3kcr s GLU 43 Cb 0.16 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 31.02 3kcr s GLU 43 CO -0.18 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 174.83 3kcr n GLY 44 N 3.60 4.42 3.38 -1.50 0.00 -1.22 -4.67 105.19 109.19 3kcr n GLY 44 Ca -0.02 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 3kcr n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kcr s VAL 45 N 0.92 0.06 0.17 1.61 -7.23 -0.01 -4.17 120.40 111.76 3kcr s VAL 45 Ca 0.00 -0.74 -0.14 0.00 -1.81 0.00 0.00 61.98 59.28 3kcr s VAL 45 Cb 0.00 -1.37 -0.07 0.00 0.56 0.00 0.00 36.38 35.50 3kcr s VAL 45 CO 0.00 -0.27 0.57 -0.69 -0.31 0.00 0.00 175.10 174.41 3kcr s VAL 46 N -3.84 4.83 0.00 1.32 1.01 -1.25 -0.74 120.40 121.73 3kcr s VAL 46 Ca 0.06 0.84 0.01 0.00 0.00 0.00 0.00 61.98 62.89 3kcr s VAL 46 Cb 0.01 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.68 3kcr s VAL 46 CO -0.08 0.19 0.78 2.30 0.00 0.00 0.00 175.10 178.30 3kcr n ILE 47 N 0.65 0.00 -3.82 2.22 -5.35 -1.21 -1.53 119.36 110.33 3kcr n ILE 47 Ca -0.04 -0.05 -0.12 0.00 -0.27 0.00 0.00 62.75 62.27 3kcr n ILE 47 Cb 0.52 0.30 -0.09 0.00 -1.74 0.00 0.00 39.64 38.63 3kcr n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kcr s ALA 48 N 0.00 -0.52 -0.03 -1.28 0.00 -1.14 -3.33 121.76 115.47 3kcr s ALA 48 Ca 0.02 -0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.03 3kcr s ALA 48 Cb 0.02 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 3kcr s ALA 48 CO -0.01 -0.29 -0.25 0.96 0.00 0.00 0.00 175.76 176.17 3kcr s ILE 49 N -1.87 1.99 0.44 0.00 -4.36 -1.24 -4.63 121.20 111.53 3kcr s ILE 49 Ca -0.10 -1.07 0.08 0.00 -0.26 0.00 0.00 60.65 59.29 3kcr s ILE 49 Cb -0.04 -1.66 -0.01 0.00 1.25 0.00 0.00 42.46 42.00 3kcr s ILE 49 CO 0.00 0.56 0.40 0.00 0.24 0.00 0.00 174.94 176.15 3kcr s ARG 50 N -0.51 2.50 -0.13 0.37 1.70 -1.21 -4.50 118.95 117.18 3kcr s ARG 50 Ca 0.07 -1.59 -0.05 0.00 -0.47 0.00 0.00 55.73 53.70 3kcr s ARG 50 Cb -0.10 -2.37 0.02 0.00 -0.57 0.00 0.00 34.95 31.93 3kcr s ARG 50 CO -0.00 -0.27 0.09 0.09 -1.08 0.00 0.00 175.30 174.13 3kcr n ASN 51 N -1.61 -2.52 0.11 -2.89 4.13 -1.26 -4.64 115.26 106.58 3kcr n ASN 51 Ca 0.04 0.75 -0.18 0.00 1.68 0.00 0.00 54.58 56.86 3kcr n ASN 51 Cb 0.62 -3.34 -0.15 0.00 -1.54 0.00 0.00 39.78 35.37 3kcr n ASN 51 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 3kcr h ARG 52 N 2.03 0.34 0.00 3.52 -0.00 -1.89 -3.45 114.38 114.92 3kcr h ARG 52 Ca -0.21 -0.58 0.00 0.00 -0.50 0.00 0.00 59.98 58.70 3kcr h ARG 52 Cb 0.46 0.21 0.00 0.00 0.00 0.00 0.00 29.97 30.65 3kcr h ARG 52 CO 0.02 1.26 0.00 0.41 0.00 0.00 0.00 179.97 181.66 3kcr n GLY 53 N 1.61 4.05 0.30 0.04 0.00 -1.26 -4.98 105.19 104.95 3kcr n GLY 53 Ca -0.12 -0.63 0.19 0.00 0.00 0.00 0.00 46.02 45.45 3kcr n GLY 53 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kcr h LEU 54 N 0.00 0.00 -8.14 0.99 3.38 -1.95 -2.49 115.31 107.10 3kcr h LEU 54 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 3kcr h LEU 54 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3kcr h LEU 54 CO 0.00 0.02 0.91 -1.00 0.09 0.00 0.00 178.44 178.46 3kcr s HIS 55 N -3.96 1.92 -0.24 1.13 3.76 -1.26 -4.63 115.29 112.01 3kcr s HIS 55 Ca -0.02 0.44 -0.09 0.00 -0.15 0.00 0.00 55.06 55.24 3kcr s HIS 55 Cb 0.11 -4.09 -0.04 0.00 1.11 0.00 0.00 32.58 29.67 3kcr s HIS 55 CO 0.50 -1.61 0.11 -1.12 -0.85 0.00 0.00 174.74 171.78 3kcr s SER 56 N 7.32 5.68 -0.94 1.40 0.01 -0.94 -3.39 113.70 122.85 3kcr s SER 56 Ca 0.68 -0.01 -0.07 0.00 1.31 0.00 0.00 55.95 57.86 3kcr s SER 56 Cb -0.04 -2.02 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 3kcr s SER 56 CO 0.03 0.04 2.91 0.00 0.41 0.00 0.00 173.24 176.63 3kcr n ALA 57 N 4.44 6.87 -2.83 1.44 0.00 -1.26 -4.15 120.51 125.02 3kcr n ALA 57 Ca -0.16 -3.22 -0.34 0.00 0.00 0.00 0.00 53.44 49.72 3kcr n ALA 57 Cb 0.52 -2.72 -0.10 0.00 0.00 0.00 0.00 19.45 17.15 3kcr n ALA 57 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3kcr s PHE 58 N 0.16 3.22 -0.10 0.00 5.36 -1.24 -3.32 117.98 122.07 3kcr s PHE 58 Ca 0.63 0.05 -0.07 0.00 -0.96 0.00 0.00 56.93 56.57 3kcr s PHE 58 Cb 0.25 -2.02 0.03 0.00 -0.34 0.00 0.00 43.02 40.94 3kcr s PHE 58 CO -0.09 0.18 0.25 0.99 -1.46 0.00 0.00 175.22 175.09 3kcr s THR 59 N 0.17 -0.02 0.00 0.12 2.01 -1.26 -1.56 115.64 115.11 3kcr s THR 59 Ca 0.03 0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.15 3kcr s THR 59 Cb -0.12 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.99 3kcr s THR 59 CO 0.01 0.03 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.12 3kcr s VAL 60 N 0.64 2.99 -0.15 3.82 1.01 -1.25 -3.29 120.40 124.17 3kcr s VAL 60 Ca -0.04 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 3kcr s VAL 60 Cb -0.06 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 3kcr s VAL 60 CO -0.04 0.43 -0.07 -0.60 0.00 0.00 0.00 175.10 174.83 3kcr s ARG 61 N -1.18 3.56 -0.03 2.72 6.06 0.09 -3.10 118.95 127.06 3kcr s ARG 61 Ca 0.14 -0.58 0.03 0.00 -2.50 0.00 0.00 55.73 52.82 3kcr s ARG 61 Cb -0.11 -2.83 0.00 0.00 0.06 0.00 0.00 34.95 32.07 3kcr s ARG 61 CO 0.04 0.20 -0.11 0.21 -2.50 0.00 0.00 175.30 173.13 3kcr s LYS 62 N 0.45 1.17 -0.69 5.12 2.20 -1.01 -0.83 119.74 126.15 3kcr s LYS 62 Ca -0.06 -0.39 -0.22 0.00 -0.36 0.00 0.00 55.97 54.94 3kcr s LYS 62 Cb -0.15 -1.07 0.07 0.00 -1.51 0.00 0.00 37.83 35.18 3kcr s LYS 62 CO 0.03 0.15 1.00 0.42 -0.36 0.00 0.00 175.35 176.60 3kcr s ILE 63 N 0.14 4.32 0.70 5.43 1.01 -1.26 -0.57 121.20 130.97 3kcr s ILE 63 Ca -0.03 -0.43 -0.13 0.00 0.00 0.00 0.00 60.65 60.07 3kcr s ILE 63 Cb -0.09 -4.71 0.02 0.00 0.01 0.00 0.00 42.46 37.69 3kcr s ILE 63 CO 0.01 -1.49 1.09 -0.44 0.00 0.00 0.00 174.94 174.11 3kcr s SER 64 N 3.71 4.99 0.45 3.58 0.01 -1.26 -4.80 113.70 120.38 3kcr s SER 64 Ca 0.24 1.85 -0.25 0.00 1.31 0.00 0.00 55.95 59.09 3kcr s SER 64 Cb -0.15 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.47 3kcr s SER 64 CO 0.08 -1.71 1.39 0.59 0.41 0.00 0.00 173.24 174.01 3kcr n ASN 65 N -2.93 3.12 0.00 2.44 4.13 -1.26 -2.68 115.26 118.08 3kcr n ASN 65 Ca 0.09 1.11 0.00 0.00 1.68 0.00 0.00 54.58 57.46 3kcr n ASN 65 Cb 0.53 -1.58 0.00 0.00 -1.54 0.00 0.00 39.78 37.19 3kcr n ASN 65 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kcr n GLY 66 N 0.64 3.48 3.71 7.41 0.00 -1.26 -4.68 105.19 114.49 3kcr n GLY 66 Ca 0.06 0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 3kcr n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kcr s GLU 67 N 0.00 4.49 0.98 1.61 2.02 -1.22 -5.03 118.70 121.55 3kcr s GLU 67 Ca 0.00 1.10 -0.14 0.00 0.02 0.00 0.00 54.97 55.95 3kcr s GLU 67 Cb 0.00 -3.45 0.18 0.00 0.10 0.00 0.00 34.13 30.96 3kcr s GLU 67 CO 0.00 0.02 1.15 0.20 0.02 0.00 0.00 175.26 176.65 3kcr s GLY 68 N 0.88 1.60 0.01 -1.39 0.00 -1.09 -4.04 107.32 103.28 3kcr s GLY 68 Ca 0.43 -0.66 -0.12 0.00 0.00 0.00 0.00 44.72 44.38 3kcr s GLY 68 CO 0.22 -0.01 0.25 -1.34 0.00 0.00 0.00 173.10 172.22 3kcr s VAL 69 N -3.27 0.08 0.10 1.40 -7.23 0.26 -4.72 120.40 107.03 3kcr s VAL 69 Ca 0.66 -0.65 0.07 0.00 -1.81 0.00 0.00 61.98 60.26 3kcr s VAL 69 Cb -0.13 -0.70 -0.03 0.00 0.56 0.00 0.00 36.38 36.07 3kcr s VAL 69 CO 0.54 -0.36 -0.19 -1.61 -0.31 0.00 0.00 175.10 173.18 3kcr s GLU 70 N -1.83 1.05 -0.14 4.82 0.41 -1.26 -2.41 118.70 119.34 3kcr s GLU 70 Ca -0.10 -1.13 -0.04 0.00 -0.41 0.00 0.00 54.97 53.29 3kcr s GLU 70 Cb -0.04 -1.22 0.07 0.00 -1.78 0.00 0.00 34.13 31.16 3kcr s GLU 70 CO 0.01 0.28 0.20 0.50 -0.49 0.00 0.00 175.26 175.76 3kcr s ARG 71 N -1.96 0.12 -0.65 1.61 3.52 -1.18 -5.04 118.95 115.37 3kcr s ARG 71 Ca 0.05 0.44 -0.20 0.00 -0.13 0.00 0.00 55.73 55.89 3kcr s ARG 71 Cb -0.09 -0.63 0.09 0.00 -1.56 0.00 0.00 34.95 32.76 3kcr s ARG 71 CO 0.04 -0.45 0.85 0.08 -0.81 0.00 0.00 175.30 175.01 3kcr s VAL 72 N 2.33 4.62 0.44 7.11 1.01 -1.26 -3.82 120.40 130.82 3kcr s VAL 72 Ca 0.04 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 3kcr s VAL 72 Cb -0.14 -4.60 -0.09 0.00 0.00 0.00 0.00 36.38 31.56 3kcr s VAL 72 CO -0.09 -1.30 1.06 -0.36 0.00 0.00 0.00 175.10 174.41 3kcr s PHE 73 N 3.22 3.12 -1.22 5.22 0.08 -0.60 -4.93 117.98 122.88 3kcr s PHE 73 Ca 0.18 1.61 0.11 0.00 0.12 0.00 0.00 56.93 58.95 3kcr s PHE 73 Cb -0.19 -3.13 0.17 0.00 -0.57 0.00 0.00 43.02 39.30 3kcr s PHE 73 CO 0.06 -0.79 1.00 1.04 -0.10 0.00 0.00 175.22 176.44 3kcr n GLN 74 N -0.46 1.42 0.00 0.44 1.13 -1.26 -3.62 117.38 115.04 3kcr n GLN 74 Ca 0.07 -1.50 0.00 0.00 -1.94 0.00 0.00 57.00 53.63 3kcr n GLN 74 Cb 0.51 -1.23 0.00 0.00 0.11 0.00 0.00 30.24 29.62 3kcr n GLN 74 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3kcr n THR 75 N 0.59 0.00 0.16 5.09 -2.24 -1.26 -4.04 114.28 112.57 3kcr n THR 75 Ca 0.08 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.97 3kcr n THR 75 Cb 0.33 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 68.83 3kcr n THR 75 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3kcr n HIS 76 N 0.00 0.74 -1.97 4.78 8.25 -1.25 -4.66 115.22 121.11 3kcr n HIS 76 Ca 0.00 -0.37 -0.42 0.00 -0.26 0.00 0.00 57.72 56.67 3kcr n HIS 76 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 3kcr n HIS 76 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3kcr s SER 77 N -1.10 6.65 0.40 0.41 0.01 -1.26 -4.55 113.70 114.26 3kcr s SER 77 Ca 0.40 2.29 0.19 0.00 1.31 0.00 0.00 55.95 60.14 3kcr s SER 77 Cb 0.21 -2.54 1.11 0.00 0.21 0.00 0.00 66.02 65.02 3kcr s SER 77 CO 0.28 -0.93 1.76 -0.65 0.41 0.00 0.00 173.24 174.12 3kcr h PRO 78 N 9.54 0.37 -0.58 12.44 0.11 -1.92 -3.02 132.00 148.94 3kcr h PRO 78 Ca -0.40 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.79 3kcr h PRO 78 Cb 1.18 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3kcr h PRO 78 CO 0.95 0.25 0.39 -0.39 -0.21 0.00 0.00 178.00 178.99 3kcr h VAL 79 N 0.38 0.86 -0.67 3.15 -1.51 -1.93 -3.04 116.25 113.49 3kcr h VAL 79 Ca 0.60 -0.11 0.01 0.00 -1.23 0.00 0.00 66.70 65.98 3kcr h VAL 79 Cb 1.54 0.51 -0.03 0.00 -2.13 0.00 0.00 31.29 31.17 3kcr h VAL 79 CO -0.30 0.06 0.44 0.58 -1.23 0.00 0.00 177.57 177.12 3kcr h VAL 80 N 0.32 1.15 0.00 7.19 2.07 -1.84 -3.04 116.25 122.09 3kcr h VAL 80 Ca 0.27 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3kcr h VAL 80 Cb 0.64 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3kcr h VAL 80 CO -0.07 0.16 0.00 0.47 0.02 0.00 0.00 177.57 178.15 3kcr n ASP 81 N -4.44 0.00 -3.86 0.57 10.43 -1.15 -4.18 116.55 113.91 3kcr n ASP 81 Ca 0.07 0.00 -0.12 0.00 2.57 0.00 0.00 54.79 57.32 3kcr n ASP 81 Cb 0.06 0.00 -0.12 0.00 1.84 0.00 0.00 41.12 42.90 3kcr n ASP 81 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3kcr s SER 82 N -2.95 -0.04 -0.08 -2.24 1.04 -1.20 -4.73 113.70 103.50 3kcr s SER 82 Ca 0.00 0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.51 3kcr s SER 82 Cb 0.00 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.32 3kcr s SER 82 CO 0.00 -0.11 -0.12 -0.51 0.98 0.00 0.00 173.24 173.48 3kcr s ILE 83 N -0.32 1.19 0.59 -1.02 2.07 -1.16 -0.96 121.20 121.58 3kcr s ILE 83 Ca -0.04 -0.48 -0.09 0.00 -1.41 0.00 0.00 60.65 58.63 3kcr s ILE 83 Cb -0.03 -1.10 -0.02 0.00 0.13 0.00 0.00 42.46 41.44 3kcr s ILE 83 CO 0.00 0.37 0.95 -0.44 -1.91 0.00 0.00 174.94 173.92 3kcr s SER 84 N 0.88 6.03 0.00 4.50 0.01 0.59 -4.32 113.70 121.39 3kcr s SER 84 Ca -0.10 1.13 0.00 0.00 1.31 0.00 0.00 55.95 58.29 3kcr s SER 84 Cb -0.15 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.86 3kcr s SER 84 CO 0.01 -0.88 0.00 0.55 0.41 0.00 0.00 173.24 173.33 3kcr n VAL 85 N -2.62 0.00 -1.33 3.43 3.14 -1.26 -2.28 118.33 117.41 3kcr n VAL 85 Ca 0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 3kcr n VAL 85 Cb 0.55 -0.52 0.00 0.00 -1.06 0.00 0.00 33.84 32.81 3kcr n VAL 85 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3kcr n LYS 86 N -2.38 0.00 -1.45 1.45 5.02 -1.26 -0.63 118.16 118.91 3kcr n LYS 86 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 3kcr n LYS 86 Cb 0.40 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.50 3kcr n LYS 86 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3kcr n ARG 87 N 14.00 0.69 -3.47 1.97 0.63 -1.26 -4.73 116.66 124.49 3kcr n ARG 87 Ca 0.00 0.30 0.03 0.00 -0.92 0.00 0.00 57.85 57.26 3kcr n ARG 87 Cb 0.00 -2.46 -0.05 0.00 0.45 0.00 0.00 32.46 30.39 3kcr n ARG 87 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 3kcr s ARG 88 N -3.65 0.06 0.07 -0.14 1.70 -0.98 -0.24 118.95 115.76 3kcr s ARG 88 Ca 0.78 0.12 0.01 0.00 -0.47 0.00 0.00 55.73 56.16 3kcr s ARG 88 Cb -0.34 0.04 -0.00 0.00 -0.57 0.00 0.00 34.95 34.07 3kcr s ARG 88 CO 0.45 -0.01 0.07 0.41 -1.08 0.00 0.00 175.30 175.14 3kcr n GLY 89 N 3.68 3.44 3.50 3.88 0.00 -0.31 -2.53 105.19 116.85 3kcr n GLY 89 Ca -0.13 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 3kcr n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcr s ALA 90 N -2.06 2.82 0.00 4.61 0.00 -1.26 -4.00 121.76 121.86 3kcr s ALA 90 Ca 0.07 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3kcr s ALA 90 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.94 3kcr s ALA 90 CO 0.05 0.46 0.79 1.33 0.00 0.00 0.00 175.76 178.39 3kcr n VAL 91 N 2.65 0.61 -1.14 0.00 0.24 -1.26 -4.93 118.33 114.50 3kcr n VAL 91 Ca -0.18 -0.76 -0.05 0.00 -2.04 0.00 0.00 64.34 61.32 3kcr n VAL 91 Cb 0.53 0.73 -0.02 0.00 -1.47 0.00 0.00 33.84 33.60 3kcr n VAL 91 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3kcr n ARG 92 N -0.31 -0.58 -3.83 7.34 0.63 -1.26 -4.91 116.66 113.74 3kcr n ARG 92 Ca 0.00 0.56 -0.08 0.00 -0.92 0.00 0.00 57.85 57.41 3kcr n ARG 92 Cb 0.19 -4.28 0.01 0.00 0.45 0.00 0.00 32.46 28.84 3kcr n ARG 92 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3kcr s LYS 93 N -1.97 2.07 0.00 -0.14 2.47 -1.26 -5.06 119.74 115.85 3kcr s LYS 93 Ca 0.00 -1.28 0.00 0.00 -1.56 0.00 0.00 55.97 53.13 3kcr s LYS 93 Cb 0.00 0.62 0.00 0.00 -1.46 0.00 0.00 37.83 36.99 3kcr s LYS 93 CO 0.00 -0.96 0.00 0.00 0.16 0.00 0.00 175.35 174.55 3kcr n ALA 94 N -0.50 0.26 -3.71 3.13 0.00 -1.26 -4.78 120.51 113.65 3kcr n ALA 94 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.21 3kcr n ALA 94 Cb 0.60 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.89 3kcr n ALA 94 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kcr s LYS 95 N -0.35 0.01 -0.37 0.00 -0.14 -1.26 -2.87 119.74 114.77 3kcr s LYS 95 Ca 0.00 0.40 0.00 0.00 -1.36 0.00 0.00 55.97 55.01 3kcr s LYS 95 Cb 0.00 -0.30 0.13 0.00 -1.68 0.00 0.00 37.83 35.98 3kcr s LYS 95 CO 0.00 -0.25 0.21 -0.51 -0.76 0.00 0.00 175.35 174.04 3kcr s LEU 96 N 1.75 1.40 0.23 3.17 1.02 -1.21 -4.93 118.68 120.11 3kcr s LEU 96 Ca -0.02 -2.20 0.19 0.00 0.02 0.00 0.00 54.13 52.12 3kcr s LEU 96 Cb -0.12 -0.56 0.05 0.00 0.02 0.00 0.00 46.19 45.57 3kcr s LEU 96 CO -0.05 -0.31 1.20 1.88 0.02 0.00 0.00 176.35 179.10 3kcr h TYR 97 N 7.09 0.00 0.00 0.29 -1.99 -1.97 -3.17 116.97 117.22 3kcr h TYR 97 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3kcr h TYR 97 Cb 0.96 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.69 3kcr h TYR 97 CO 0.44 0.30 0.00 2.48 -0.00 0.00 0.00 178.16 181.38 3kcr n TYR 98 N -2.97 0.00 -0.02 4.88 4.11 -1.26 -2.47 117.16 119.43 3kcr n TYR 98 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 57.93 3kcr n TYR 98 Cb 0.68 -0.02 -0.11 0.00 -0.00 0.00 0.00 39.34 39.89 3kcr n TYR 98 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.86 176.75 3kcr n LEU 99 N -0.32 0.00 -0.13 -3.48 -0.00 -1.20 -3.88 117.00 107.99 3kcr n LEU 99 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 3kcr n LEU 99 Cb 0.05 0.05 0.05 0.00 -0.00 0.00 0.00 43.42 43.58 3kcr n LEU 99 CO 0.00 0.05 0.72 0.03 -0.00 0.00 0.00 177.39 178.19 3kcr h ARG 100 N 0.00 0.91 -4.91 1.96 3.08 -1.68 -3.30 114.38 110.43 3kcr h ARG 100 Ca -0.06 -0.35 -0.66 0.00 0.07 0.00 0.00 59.98 58.98 3kcr h ARG 100 Cb 0.83 -0.05 -0.26 0.00 0.08 0.00 0.00 29.97 30.57 3kcr h ARG 100 CO 0.00 1.00 -0.67 -2.00 -1.07 0.00 0.00 179.97 177.24 3kcr s GLU 101 N -4.72 3.30 0.00 0.04 2.56 -1.26 -4.83 118.70 113.79 3kcr s GLU 101 Ca -0.10 -0.70 0.00 0.00 0.00 0.00 0.00 54.97 54.17 3kcr s GLU 101 Cb 0.13 -3.20 0.00 0.00 2.00 0.00 0.00 34.13 33.06 3kcr s GLU 101 CO 0.85 -0.30 0.53 -2.13 -0.56 0.00 0.00 175.26 173.66 3kcr n ARG 102 N 4.84 0.00 -1.38 4.30 3.00 -1.24 -4.54 116.66 121.63 3kcr n ARG 102 Ca -0.16 -0.36 0.19 0.00 -0.00 0.00 0.00 57.85 57.51 3kcr n ARG 102 Cb 0.50 -0.22 -0.05 0.00 0.00 0.00 0.00 32.46 32.69 3kcr n ARG 102 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3kcr n THR 103 N 0.00 0.00 -4.30 5.15 -2.24 -1.26 -4.82 114.28 106.81 3kcr n THR 103 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 3kcr n THR 103 Cb 0.56 -0.47 -0.11 0.00 -2.10 0.00 0.00 70.33 68.21 3kcr n THR 103 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3kcr s GLY 104 N -7.13 1.72 -1.07 3.38 0.00 -1.26 -4.59 107.32 98.36 3kcr s GLY 104 Ca 0.00 -1.40 -0.08 0.00 0.00 0.00 0.00 44.72 43.24 3kcr s GLY 104 CO 0.00 -1.39 0.90 1.17 0.00 0.00 0.00 173.10 173.78 3kcr n LYS 105 N 0.52 -2.24 -0.72 2.90 4.81 -1.26 -4.98 118.16 117.19 3kcr n LYS 105 Ca -0.14 0.80 -0.01 0.00 -0.87 0.00 0.00 58.31 58.10 3kcr n LYS 105 Cb 0.54 -5.56 -0.01 0.00 0.02 0.00 0.00 35.03 30.02 3kcr n LYS 105 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kcr n ALA 106 N -3.42 2.36 0.00 3.14 0.00 -1.26 -5.13 120.51 116.20 3kcr n ALA 106 Ca -0.08 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.63 3kcr n ALA 106 Cb 0.62 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.76 3kcr n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcr n ALA 107 N 0.07 0.00 -3.65 0.00 0.00 -1.26 -4.96 120.51 110.70 3kcr n ALA 107 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 3kcr n ALA 107 Cb 0.68 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.98 3kcr n ALA 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kcr s ARG 108 N -2.00 0.07 0.58 0.00 3.00 -1.26 -5.15 118.95 114.19 3kcr s ARG 108 Ca 0.00 0.31 -0.20 0.00 0.00 0.00 0.00 55.73 55.84 3kcr s ARG 108 Cb 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 34.95 34.75 3kcr s ARG 108 CO 0.00 -0.15 1.28 0.96 0.00 0.00 0.00 175.30 177.39 3kcr s ILE 109 N 1.02 2.33 0.66 1.52 -4.36 -1.26 -5.02 121.20 116.09 3kcr s ILE 109 Ca -0.08 0.23 -0.03 0.00 -0.26 0.00 0.00 60.65 60.51 3kcr s ILE 109 Cb -0.10 -3.10 0.07 0.00 1.25 0.00 0.00 42.46 40.57 3kcr s ILE 109 CO -0.05 -0.03 0.94 -0.54 0.24 0.00 0.00 174.94 175.50 3kcr s LYS 110 N -3.15 2.15 0.00 0.37 1.02 -1.26 -4.92 119.74 113.96 3kcr s LYS 110 Ca 0.76 -0.63 -0.02 0.00 0.02 0.00 0.00 55.97 56.10 3kcr s LYS 110 Cb -0.35 -2.30 -0.04 0.00 -0.52 0.00 0.00 37.83 34.61 3kcr s LYS 110 CO 0.40 -1.14 0.16 -2.00 -0.92 0.00 0.00 175.35 171.85 3kcr s GLU 111 N -5.08 3.35 0.09 1.68 2.56 -1.25 -1.19 118.70 118.87 3kcr s GLU 111 Ca 0.61 -0.38 -0.24 0.00 0.00 0.00 0.00 54.97 54.96 3kcr s GLU 111 Cb -0.09 -3.04 -0.14 0.00 2.00 0.00 0.00 34.13 32.86 3kcr s GLU 111 CO 0.43 0.66 1.72 -0.09 -0.56 0.00 0.00 175.26 177.42 3kcr h ARG 112 N 3.77 -0.13 -0.41 4.30 9.65 -1.82 -3.44 114.38 126.30 3kcr h ARG 112 Ca -0.48 0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.32 3kcr h ARG 112 Cb 1.18 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.76 3kcr h ARG 112 CO 0.68 -0.09 -0.08 1.47 2.80 0.00 0.00 179.97 184.76 3kcr n LEU 113 N -5.16 0.15 0.00 3.80 -0.00 -1.26 -4.81 117.00 109.72 3kcr n LEU 113 Ca -0.07 0.10 0.15 0.00 -0.00 0.00 0.00 56.01 56.19 3kcr n LEU 113 Cb 0.09 -1.88 0.89 0.00 -0.00 0.00 0.00 43.42 42.51 3kcr n LEU 113 CO 0.33 -0.67 1.05 0.59 -0.00 0.00 0.00 177.39 178.69