#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr h GLN 2 N 0.00 0.90 -6.88 6.28 4.15 -1.85 -3.41 115.11 114.30 3kcr h GLN 2 Ca 0.00 -0.05 -0.49 0.00 0.77 0.00 0.00 58.65 58.87 3kcr h GLN 2 Cb 0.00 -0.20 0.01 0.00 0.21 0.00 0.00 27.48 27.49 3kcr h GLN 2 CO 0.00 0.60 0.14 -1.21 -1.93 0.00 0.00 178.83 176.43 3kcr s GLU 3 N -6.13 3.78 6.36 1.69 0.41 -1.26 -3.52 118.70 120.03 3kcr s GLU 3 Ca -0.13 0.50 0.00 0.00 -0.41 0.00 0.00 54.97 54.93 3kcr s GLU 3 Cb 0.15 -2.37 0.00 0.00 -1.78 0.00 0.00 34.13 30.13 3kcr s GLU 3 CO 0.77 -0.06 0.00 1.04 -0.49 0.00 0.00 175.26 176.52 3kcr n GLN 4 N -1.36 0.00 -1.05 1.61 1.13 -1.04 -4.92 117.38 111.76 3kcr n GLN 4 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 3kcr n GLN 4 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.89 3kcr n GLN 4 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3kcr n THR 5 N 0.00 -2.61 -3.94 5.09 -1.04 -1.26 -2.74 114.28 107.78 3kcr n THR 5 Ca 0.00 1.19 -0.25 0.00 -2.04 0.00 0.00 64.05 62.96 3kcr n THR 5 Cb 0.00 -1.82 -0.17 0.00 -1.82 0.00 0.00 70.33 66.52 3kcr n THR 5 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3kcr s MET 6 N -4.77 1.17 0.32 -2.82 -1.94 -1.26 -3.82 119.30 106.17 3kcr s MET 6 Ca 0.00 -0.13 0.08 0.00 -1.71 0.00 0.00 55.69 53.93 3kcr s MET 6 Cb 0.00 -1.30 -0.04 0.00 2.01 0.00 0.00 34.83 35.51 3kcr s MET 6 CO 0.00 -0.24 0.20 -0.51 -0.01 0.00 0.00 175.02 174.46 3kcr s LEU 7 N 1.63 3.48 0.19 -0.03 1.02 -0.23 -4.78 118.68 119.96 3kcr s LEU 7 Ca 0.02 -0.57 0.06 0.00 0.02 0.00 0.00 54.13 53.66 3kcr s LEU 7 Cb -0.13 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 44.02 3kcr s LEU 7 CO -0.05 -0.25 0.12 0.20 0.02 0.00 0.00 176.35 176.39 3kcr s ASN 8 N -3.89 5.35 -0.18 2.29 -0.87 -1.26 -0.75 114.94 115.64 3kcr s ASN 8 Ca 0.38 -0.23 -0.28 0.00 -1.57 0.00 0.00 52.86 51.16 3kcr s ASN 8 Cb -0.05 -1.33 -0.00 0.00 -0.02 0.00 0.00 41.25 39.85 3kcr s ASN 8 CO 0.24 0.04 0.96 -0.69 -2.57 0.00 0.00 177.10 175.08 3kcr s VAL 9 N -1.88 4.77 -0.83 1.60 1.01 -1.26 -4.09 120.40 119.72 3kcr s VAL 9 Ca 0.31 1.90 -0.03 0.00 0.00 0.00 0.00 61.98 64.15 3kcr s VAL 9 Cb -0.09 -4.25 0.18 0.00 0.00 0.00 0.00 36.38 32.21 3kcr s VAL 9 CO 0.23 -0.07 2.38 0.00 0.00 0.00 0.00 175.10 177.64 3kcr n ALA 10 N 5.65 6.50 -2.56 5.51 0.00 0.13 -4.69 120.51 131.06 3kcr n ALA 10 Ca 0.09 -3.77 -0.15 0.00 0.00 0.00 0.00 53.44 49.61 3kcr n ALA 10 Cb 0.48 -2.27 -0.07 0.00 0.00 0.00 0.00 19.45 17.59 3kcr n ALA 10 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3kcr s ASP 11 N -0.22 0.87 0.19 0.00 1.47 -1.24 -1.49 116.67 116.25 3kcr s ASP 11 Ca 0.53 -1.49 -0.12 0.00 1.18 0.00 0.00 52.55 52.65 3kcr s ASP 11 Cb 0.32 0.55 0.17 0.00 -0.34 0.00 0.00 42.92 43.62 3kcr s ASP 11 CO -0.22 -1.09 1.79 -0.55 0.68 0.00 0.00 175.17 175.78 3kcr h ASN 12 N 2.26 0.43 -3.91 2.11 -1.07 -1.17 -3.42 115.58 110.80 3kcr h ASN 12 Ca -0.29 0.03 -0.52 0.00 0.07 0.00 0.00 56.30 55.59 3kcr h ASN 12 Cb 1.24 -0.05 0.07 0.00 -2.07 0.00 0.00 38.32 37.51 3kcr h ASN 12 CO 0.41 0.29 0.63 -0.44 0.07 0.00 0.00 177.43 178.39 3kcr s SER 13 N -5.53 6.54 0.26 6.14 0.01 -1.26 -4.82 113.70 115.04 3kcr s SER 13 Ca -0.13 2.67 0.00 0.00 1.31 0.00 0.00 55.95 59.80 3kcr s SER 13 Cb 0.14 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.73 3kcr s SER 13 CO 0.74 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 174.31 3kcr n GLY 14 N 0.72 -2.45 2.60 3.44 0.00 -1.26 -4.72 105.19 103.52 3kcr n GLY 14 Ca 0.02 -1.29 -0.04 0.00 0.00 0.00 0.00 46.02 44.70 3kcr n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcr n ALA 15 N -2.97 -1.49 -0.94 4.61 0.00 -1.26 -4.45 120.51 114.01 3kcr n ALA 15 Ca -0.03 -0.80 0.10 0.00 0.00 0.00 0.00 53.44 52.72 3kcr n ALA 15 Cb 0.33 0.56 -0.06 0.00 0.00 0.00 0.00 19.45 20.29 3kcr n ALA 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kcr n ARG 16 N -0.42 -2.22 -1.70 0.00 5.12 -1.26 -3.57 116.66 112.61 3kcr n ARG 16 Ca -0.04 1.81 -0.43 0.00 -1.93 0.00 0.00 57.85 57.25 3kcr n ARG 16 Cb 0.40 -2.54 -0.02 0.00 -1.16 0.00 0.00 32.46 29.15 3kcr n ARG 16 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kcr n ARG 17 N -3.39 2.23 -3.66 5.56 1.74 -1.19 -3.98 116.66 113.97 3kcr n ARG 17 Ca -0.06 0.79 -0.09 0.00 -0.77 0.00 0.00 57.85 57.72 3kcr n ARG 17 Cb 0.43 -2.46 -0.10 0.00 -1.02 0.00 0.00 32.46 29.31 3kcr n ARG 17 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3kcr s VAL 18 N -0.31 -0.61 -0.13 1.55 -7.23 0.07 -1.33 120.40 112.42 3kcr s VAL 18 Ca 0.64 0.18 -0.11 0.00 -1.81 0.00 0.00 61.98 60.87 3kcr s VAL 18 Cb -0.59 -0.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.66 3kcr s VAL 18 CO 0.53 0.07 0.23 0.00 -0.31 0.00 0.00 175.10 175.62 3kcr s MET 19 N 2.56 3.93 0.32 4.82 0.23 -1.24 -1.07 119.30 128.85 3kcr s MET 19 Ca -0.02 0.02 -0.28 0.00 -1.03 0.00 0.00 55.69 54.38 3kcr s MET 19 Cb -0.12 -3.32 -0.09 0.00 -1.53 0.00 0.00 34.83 29.77 3kcr s MET 19 CO -0.12 0.50 1.12 0.00 -2.03 0.00 0.00 175.02 174.49 3kcr n ILE 21 N 0.81 0.00 -3.39 0.00 -6.64 -1.17 -2.48 119.36 106.49 3kcr n ILE 21 Ca 0.01 -0.19 0.02 0.00 -1.77 0.00 0.00 62.75 60.82 3kcr n ILE 21 Cb 0.45 1.28 -0.05 0.00 -1.44 0.00 0.00 39.64 39.89 3kcr n ILE 21 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 3kcr s LYS 22 N -0.21 0.17 -0.39 6.28 2.47 -1.11 -4.86 119.74 122.10 3kcr s LYS 22 Ca 0.00 0.39 -0.19 0.00 -1.56 0.00 0.00 55.97 54.61 3kcr s LYS 22 Cb 0.00 0.19 0.01 0.00 -1.46 0.00 0.00 37.83 36.57 3kcr s LYS 22 CO 0.00 -0.05 0.57 0.08 0.16 0.00 0.00 175.35 176.10 3kcr s VAL 23 N 1.96 4.94 -1.23 4.02 1.01 -1.26 -0.81 120.40 129.03 3kcr s VAL 23 Ca -0.03 0.23 -0.19 0.00 0.00 0.00 0.00 61.98 61.99 3kcr s VAL 23 Cb -0.03 -4.07 0.07 0.00 0.00 0.00 0.00 36.38 32.35 3kcr s VAL 23 CO -0.16 -0.37 1.67 -0.76 0.00 0.00 0.00 175.10 175.48 3kcr s LEU 24 N 2.55 3.76 0.00 3.92 1.43 -1.16 -4.67 118.68 124.51 3kcr s LEU 24 Ca 0.20 -2.20 0.00 0.00 -1.03 0.00 0.00 54.13 51.10 3kcr s LEU 24 Cb -0.15 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.49 3kcr s LEU 24 CO 0.15 -1.25 0.00 0.61 0.23 0.00 0.00 176.35 176.09 3kcr n GLY 25 N 5.77 3.40 0.29 -3.19 0.00 -1.26 -4.46 105.19 105.73 3kcr n GLY 25 Ca 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.41 3kcr n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLY 26 N -0.39 -2.02 0.28 -0.02 0.00 -1.26 -4.69 105.19 97.09 3kcr n GLY 26 Ca 0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 46.02 45.05 3kcr n GLY 26 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3kcr h SER 27 N 0.00 0.72 0.00 1.61 0.02 -2.00 -3.31 113.55 110.59 3kcr h SER 27 Ca 0.00 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 3kcr h SER 27 Cb 0.00 -0.14 -0.08 0.00 0.14 0.00 0.00 62.40 62.31 3kcr h SER 27 CO 0.00 0.48 -0.34 1.57 -1.14 0.00 0.00 176.83 177.41 3kcr n HIS 28 N -4.67 0.00 -1.92 3.45 -0.00 -1.26 -5.07 115.22 105.75 3kcr n HIS 28 Ca 0.09 -0.18 -0.43 0.00 0.46 0.00 0.00 57.72 57.66 3kcr n HIS 28 Cb 0.12 0.17 -0.03 0.00 -0.12 0.00 0.00 29.99 30.13 3kcr n HIS 28 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 3kcr s ARG 29 N 0.00 3.60 -0.43 1.57 3.52 -1.25 -4.77 118.95 121.20 3kcr s ARG 29 Ca 0.05 1.83 0.05 0.00 -0.13 0.00 0.00 55.73 57.52 3kcr s ARG 29 Cb 0.06 -4.16 0.60 0.00 -1.56 0.00 0.00 34.95 29.89 3kcr s ARG 29 CO -0.02 -1.54 1.80 2.89 -0.81 0.00 0.00 175.30 177.62 3kcr n ARG 30 N 8.04 2.22 -3.93 5.12 1.85 -1.26 -4.17 116.66 124.53 3kcr n ARG 30 Ca 0.22 -3.11 -0.19 0.00 -1.00 0.00 0.00 57.85 53.77 3kcr n ARG 30 Cb 0.45 -2.10 -0.06 0.00 -1.05 0.00 0.00 32.46 29.69 3kcr n ARG 30 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3kcr n TYR 31 N -1.11 -0.25 -1.74 2.89 4.01 -1.26 -4.37 117.16 115.32 3kcr n TYR 31 Ca 0.53 -2.26 0.00 0.00 -0.16 0.00 0.00 57.90 56.02 3kcr n TYR 31 Cb 1.40 0.11 0.00 0.00 -0.31 0.00 0.00 39.34 40.54 3kcr n TYR 31 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kcr n ALA 32 N -1.25 0.00 -3.63 -0.72 0.00 -1.26 -4.73 120.51 108.91 3kcr n ALA 32 Ca -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.29 3kcr n ALA 32 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 3kcr n ALA 32 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kcr s GLY 33 N -0.85 -0.00 -0.43 0.00 0.00 -1.26 -4.99 107.32 99.79 3kcr s GLY 33 Ca 0.00 2.58 -0.28 0.00 0.00 0.00 0.00 44.72 47.03 3kcr s GLY 33 CO 0.00 1.02 1.90 0.14 0.00 0.00 0.00 173.10 176.16 3kcr s VAL 34 N -1.21 3.37 0.00 1.40 1.01 -1.26 -0.95 120.40 122.76 3kcr s VAL 34 Ca 0.08 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3kcr s VAL 34 Cb -0.01 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.72 3kcr s VAL 34 CO -0.06 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 175.13 3kcr n GLY 35 N 5.58 3.83 3.71 4.51 0.00 -0.83 -4.93 105.19 117.06 3kcr n GLY 35 Ca 0.24 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 3kcr n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kcr n ASP 36 N 0.00 3.49 -4.77 1.61 10.43 -0.12 -4.51 116.55 122.67 3kcr n ASP 36 Ca 0.00 1.12 -0.39 0.00 2.57 0.00 0.00 54.79 58.09 3kcr n ASP 36 Cb 0.00 -1.52 -0.06 0.00 1.84 0.00 0.00 41.12 41.38 3kcr n ASP 36 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 3kcr s ILE 37 N 0.32 4.89 -0.09 0.53 -4.36 -1.24 -4.05 121.20 117.20 3kcr s ILE 37 Ca 0.69 1.21 -0.06 0.00 -0.26 0.00 0.00 60.65 62.23 3kcr s ILE 37 Cb -0.56 -3.91 0.03 0.00 1.25 0.00 0.00 42.46 39.27 3kcr s ILE 37 CO 0.44 0.45 0.22 0.27 0.24 0.00 0.00 174.94 176.57 3kcr s ILE 38 N -0.40 -0.02 0.05 8.37 -4.36 -1.26 -2.96 121.20 120.62 3kcr s ILE 38 Ca 0.30 0.09 -0.31 0.00 -0.26 0.00 0.00 60.65 60.47 3kcr s ILE 38 Cb -0.18 -0.33 -0.08 0.00 1.25 0.00 0.00 42.46 43.12 3kcr s ILE 38 CO 0.17 0.04 1.59 -0.75 0.24 0.00 0.00 174.94 176.23 3kcr s LYS 39 N 0.75 4.22 0.27 0.37 2.47 0.01 -3.73 119.74 124.10 3kcr s LYS 39 Ca -0.05 2.24 0.07 0.00 -1.56 0.00 0.00 55.97 56.67 3kcr s LYS 39 Cb -0.07 -3.59 -0.06 0.00 -1.46 0.00 0.00 37.83 32.65 3kcr s LYS 39 CO -0.04 -0.70 -0.08 -1.50 0.16 0.00 0.00 175.35 173.19 3kcr s ILE 40 N 2.59 1.72 -0.15 5.43 2.07 -0.10 -2.76 121.20 130.00 3kcr s ILE 40 Ca 0.71 -2.15 -0.04 0.00 -1.41 0.00 0.00 60.65 57.76 3kcr s ILE 40 Cb -0.38 -2.41 0.05 0.00 0.13 0.00 0.00 42.46 39.86 3kcr s ILE 40 CO 0.31 -0.33 0.08 -0.89 -1.91 0.00 0.00 174.94 172.20 3kcr s THR 41 N -2.96 -0.07 0.17 4.00 2.01 -1.19 -1.32 115.64 116.28 3kcr s THR 41 Ca 0.29 -0.06 -0.33 0.00 0.31 0.00 0.00 61.69 61.90 3kcr s THR 41 Cb 0.03 -0.51 -0.14 0.00 0.01 0.00 0.00 72.50 71.89 3kcr s THR 41 CO 0.12 -0.19 1.47 -0.38 -0.69 0.00 0.00 174.62 174.95 3kcr n ILE 42 N 5.28 0.32 0.00 1.82 2.08 0.51 -3.63 119.36 125.74 3kcr n ILE 42 Ca -0.06 -0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.17 3kcr n ILE 42 Cb 0.49 -1.37 0.00 0.00 -0.75 0.00 0.00 39.64 38.01 3kcr n ILE 42 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 3kcr n LYS 43 N 2.79 0.32 -3.74 0.38 4.81 -1.21 -0.25 118.16 121.25 3kcr n LYS 43 Ca 0.16 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.47 3kcr n LYS 43 Cb 0.28 -0.65 -0.11 0.00 0.02 0.00 0.00 35.03 34.57 3kcr n LYS 43 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3kcr s GLU 44 N -1.29 0.37 0.17 1.64 2.02 -0.32 -4.28 118.70 117.01 3kcr s GLU 44 Ca 0.00 0.53 -0.24 0.00 0.02 0.00 0.00 54.97 55.28 3kcr s GLU 44 Cb 0.00 0.11 0.06 0.00 0.10 0.00 0.00 34.13 34.40 3kcr s GLU 44 CO 0.00 -0.08 0.85 0.00 0.02 0.00 0.00 175.26 176.05 3kcr s ALA 45 N 0.55 -1.55 0.65 5.21 0.00 -0.91 -4.00 121.76 121.70 3kcr s ALA 45 Ca -0.03 0.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.92 3kcr s ALA 45 Cb -0.05 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 3kcr s ALA 45 CO -0.03 -0.97 1.13 0.44 0.00 0.00 0.00 175.76 176.33 3kcr n ILE 46 N -0.43 4.15 -0.00 0.00 -5.35 -1.25 -4.43 119.36 112.04 3kcr n ILE 46 Ca -0.07 -0.47 0.01 0.00 -0.27 0.00 0.00 62.75 61.95 3kcr n ILE 46 Cb 0.61 -1.30 -0.11 0.00 -1.74 0.00 0.00 39.64 37.09 3kcr n ILE 46 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 3kcr n PRO 47 N -1.67 0.64 0.01 6.28 -0.04 -1.26 -3.81 135.00 135.16 3kcr n PRO 47 Ca 0.15 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.78 3kcr n PRO 47 Cb 0.48 -1.68 0.07 0.00 -0.04 0.00 0.00 33.50 32.34 3kcr n PRO 47 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kcr n ARG 48 N -2.69 0.13 -3.22 0.54 5.12 -1.26 -4.47 116.66 110.81 3kcr n ARG 48 Ca -0.13 -0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.48 3kcr n ARG 48 Cb 0.82 -1.54 -0.05 0.00 -1.16 0.00 0.00 32.46 30.53 3kcr n ARG 48 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3kcr s GLY 49 N -3.30 2.14 -0.91 -0.13 0.00 -1.25 -5.01 107.32 98.86 3kcr s GLY 49 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.55 3kcr s GLY 49 CO 0.78 -0.09 1.45 0.28 0.00 0.00 0.00 173.10 175.53 3kcr n LYS 50 N -0.60 4.46 -3.59 2.90 4.01 -1.26 -4.70 118.16 119.38 3kcr n LYS 50 Ca 0.01 -4.68 -0.14 0.00 -0.51 0.00 0.00 58.31 52.99 3kcr n LYS 50 Cb 0.53 -2.41 -0.06 0.00 -0.51 0.00 0.00 35.03 32.58 3kcr n LYS 50 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 3kcr s VAL 51 N -3.77 0.03 0.36 -0.18 -7.23 -1.26 -5.09 120.40 103.26 3kcr s VAL 51 Ca 0.39 -0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.31 3kcr s VAL 51 Cb 0.17 -0.95 0.00 0.00 0.56 0.00 0.00 36.38 36.16 3kcr s VAL 51 CO -0.06 -0.14 0.00 0.29 -0.31 0.00 0.00 175.10 174.89 3kcr n LYS 52 N 0.55 0.00 -3.83 4.82 5.02 -1.26 -3.80 118.16 119.66 3kcr n LYS 52 Ca -0.19 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.02 3kcr n LYS 52 Cb 0.59 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.58 3kcr n LYS 52 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3kcr s LYS 53 N -2.00 1.64 0.00 1.97 -2.85 -1.26 -1.17 119.74 116.06 3kcr s LYS 53 Ca 0.00 -0.98 0.00 0.00 -1.00 0.00 0.00 55.97 53.99 3kcr s LYS 53 Cb 0.00 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.34 3kcr s LYS 53 CO 0.00 -0.73 0.00 0.41 0.10 0.00 0.00 175.35 175.13 3kcr n GLY 54 N -0.42 0.74 3.82 0.59 0.00 0.65 -4.85 105.19 105.72 3kcr n GLY 54 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 3kcr n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kcr s ASP 55 N -2.59 6.37 -0.11 1.61 1.11 -1.22 -4.93 116.67 116.91 3kcr s ASP 55 Ca 0.00 0.44 -0.00 0.00 0.18 0.00 0.00 52.55 53.16 3kcr s ASP 55 Cb 0.00 -2.09 0.02 0.00 1.07 0.00 0.00 42.92 41.92 3kcr s ASP 55 CO 0.00 0.32 -0.08 -0.69 1.18 0.00 0.00 175.17 175.89 3kcr s VAL 56 N -0.53 1.04 0.00 -1.27 1.01 -1.26 -0.36 120.40 119.03 3kcr s VAL 56 Ca 0.14 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3kcr s VAL 56 Cb -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.21 3kcr s VAL 56 CO 0.03 0.37 0.00 0.18 0.00 0.00 0.00 175.10 175.68 3kcr n LEU 57 N 4.78 0.00 -3.89 3.92 4.77 -0.43 -4.92 117.00 121.23 3kcr n LEU 57 Ca -0.14 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.75 3kcr n LEU 57 Cb 0.50 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 3kcr n LEU 57 CO 0.18 0.00 -0.13 -0.54 -1.33 0.00 0.00 177.39 175.57 3kcr s LYS 58 N 1.19 0.80 0.28 3.23 1.02 -1.24 -0.92 119.74 124.10 3kcr s LYS 58 Ca 0.00 -0.98 -0.12 0.00 0.02 0.00 0.00 55.97 54.89 3kcr s LYS 58 Cb 0.00 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.64 3kcr s LYS 58 CO 0.00 -0.24 0.52 0.00 -0.92 0.00 0.00 175.35 174.71 3kcr s ALA 59 N -3.81 -0.18 -0.10 5.17 0.00 -1.26 -3.18 121.76 118.41 3kcr s ALA 59 Ca 0.05 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.09 3kcr s ALA 59 Cb 0.05 1.04 -0.01 0.00 0.00 0.00 0.00 23.12 24.19 3kcr s ALA 59 CO -0.11 -0.87 -0.17 0.54 0.00 0.00 0.00 175.76 175.16 3kcr s VAL 60 N -3.71 2.71 0.29 0.00 0.11 -0.72 -3.61 120.40 115.47 3kcr s VAL 60 Ca 0.22 -0.80 -0.03 0.00 -2.93 0.00 0.00 61.98 58.44 3kcr s VAL 60 Cb -0.01 -2.09 -0.05 0.00 -1.53 0.00 0.00 36.38 32.70 3kcr s VAL 60 CO 0.11 0.55 0.53 0.54 -3.33 0.00 0.00 175.10 173.50 3kcr s VAL 61 N 0.08 5.07 0.00 2.04 0.11 -1.26 -1.70 120.40 124.74 3kcr s VAL 61 Ca -0.07 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 3kcr s VAL 61 Cb -0.15 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 30.94 3kcr s VAL 61 CO 0.05 -0.36 0.00 0.52 -3.33 0.00 0.00 175.10 171.99 3kcr n VAL 62 N -1.09 0.00 -2.34 2.04 0.31 -0.45 -1.97 118.33 114.82 3kcr n VAL 62 Ca -0.03 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.06 3kcr n VAL 62 Cb 0.54 -0.05 0.07 0.00 -0.91 0.00 0.00 33.84 33.50 3kcr n VAL 62 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3kcr s ARG 63 N 0.00 2.12 -0.20 5.55 0.52 -1.19 -4.67 118.95 121.07 3kcr s ARG 63 Ca 0.00 -0.51 -0.12 0.00 -0.52 0.00 0.00 55.73 54.58 3kcr s ARG 63 Cb 0.00 -2.25 0.06 0.00 0.52 0.00 0.00 34.95 33.28 3kcr s ARG 63 CO 0.00 -1.21 0.50 0.95 0.02 0.00 0.00 175.30 175.56 3kcr s THR 64 N -3.15 -0.02 0.10 0.02 -4.23 -0.47 -2.95 115.64 104.94 3kcr s THR 64 Ca 0.61 0.06 -0.20 0.00 -1.18 0.00 0.00 61.69 60.97 3kcr s THR 64 Cb -0.09 -0.73 -0.09 0.00 1.34 0.00 0.00 72.50 72.92 3kcr s THR 64 CO 0.44 0.02 1.69 0.50 -0.54 0.00 0.00 174.62 176.73 3kcr h LYS 65 N 6.87 0.25 -0.24 3.99 3.64 -1.31 -0.40 116.57 129.37 3kcr h LYS 65 Ca -0.34 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 3kcr h LYS 65 Cb 1.20 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3kcr h LYS 65 CO 0.24 0.26 0.00 1.17 -2.27 0.00 0.00 179.45 178.85 3kcr n LYS 66 N -4.90 1.79 0.00 1.90 4.81 -1.26 -3.89 118.16 116.60 3kcr n LYS 66 Ca -0.04 -1.21 0.00 0.00 -0.87 0.00 0.00 58.31 56.20 3kcr n LYS 66 Cb 0.08 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 33.77 3kcr n LYS 66 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kcr n GLY 67 N 1.12 -0.76 3.22 3.14 0.00 -0.38 -4.74 105.19 106.79 3kcr n GLY 67 Ca 0.15 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 3kcr n GLY 67 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kcr s VAL 68 N 0.00 0.07 -0.27 1.61 -7.23 0.29 -4.69 120.40 110.18 3kcr s VAL 68 Ca 0.00 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.86 3kcr s VAL 68 Cb 0.00 -2.52 0.18 0.00 0.56 0.00 0.00 36.38 34.60 3kcr s VAL 68 CO 0.00 0.00 1.32 0.00 -0.31 0.00 0.00 175.10 176.11 3kcr s ARG 69 N -4.09 0.12 0.00 4.82 1.70 -1.26 -0.23 118.95 120.02 3kcr s ARG 69 Ca 0.39 0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.66 3kcr s ARG 69 Cb 0.07 0.06 0.00 0.00 -0.57 0.00 0.00 34.95 34.51 3kcr s ARG 69 CO 0.13 -0.04 0.00 -2.13 -1.08 0.00 0.00 175.30 172.18 3kcr n ARG 70 N 0.44 0.00 0.15 3.89 0.63 -0.60 -4.82 116.66 116.35 3kcr n ARG 70 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3kcr n ARG 70 Cb 0.58 0.00 0.22 0.00 0.45 0.00 0.00 32.46 33.71 3kcr n ARG 70 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 3kcr h PRO 71 N 0.00 0.00 -0.54 -0.14 0.13 -2.02 0.52 132.00 129.95 3kcr h PRO 71 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3kcr h PRO 71 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3kcr h PRO 71 CO 0.00 0.56 0.00 -0.40 -0.23 0.00 0.00 178.00 177.93 3kcr n ASP 72 N -3.81 4.89 0.00 1.44 5.68 -1.26 -4.81 116.55 118.68 3kcr n ASP 72 Ca -0.01 -2.70 0.00 0.00 -0.50 0.00 0.00 54.79 51.58 3kcr n ASP 72 Cb 0.57 -0.59 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 3kcr n ASP 72 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kcr n GLY 73 N 0.63 0.50 3.70 6.12 0.00 0.15 -4.97 105.19 111.32 3kcr n GLY 73 Ca 0.25 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 3kcr n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kcr s SER 74 N -2.88 6.45 -0.16 1.61 1.04 -1.07 -4.52 113.70 114.17 3kcr s SER 74 Ca 0.00 0.53 -0.08 0.00 0.48 0.00 0.00 55.95 56.88 3kcr s SER 74 Cb 0.00 -2.21 -0.04 0.00 0.10 0.00 0.00 66.02 63.87 3kcr s SER 74 CO 0.00 0.03 0.12 0.54 0.98 0.00 0.00 173.24 174.90 3kcr s VAL 75 N 0.80 5.30 -0.35 5.02 0.11 -1.26 -1.55 120.40 128.47 3kcr s VAL 75 Ca 0.18 0.14 -0.03 0.00 -2.93 0.00 0.00 61.98 59.34 3kcr s VAL 75 Cb -0.14 -3.36 0.07 0.00 -1.53 0.00 0.00 36.38 31.42 3kcr s VAL 75 CO 0.06 0.52 0.10 -0.63 -3.33 0.00 0.00 175.10 171.83 3kcr s ILE 76 N -0.25 3.31 -0.16 7.04 1.01 0.68 -4.94 121.20 127.88 3kcr s ILE 76 Ca 0.10 -1.57 -0.29 0.00 0.00 0.00 0.00 60.65 58.89 3kcr s ILE 76 Cb -0.12 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.31 3kcr s ILE 76 CO 0.01 -0.35 1.13 -0.13 0.00 0.00 0.00 174.94 175.60 3kcr s ARG 77 N 1.25 4.29 0.52 2.79 0.52 -1.26 -0.54 118.95 126.51 3kcr s ARG 77 Ca 0.01 1.50 -0.13 0.00 -0.52 0.00 0.00 55.73 56.59 3kcr s ARG 77 Cb -0.21 -3.65 -0.06 0.00 0.52 0.00 0.00 34.95 31.55 3kcr s ARG 77 CO -0.01 -0.57 0.94 -0.06 0.02 0.00 0.00 175.30 175.61 3kcr s PHE 78 N 2.95 3.51 -0.56 -0.53 0.40 -0.30 -4.87 117.98 118.58 3kcr s PHE 78 Ca 0.50 1.27 -0.28 0.00 -0.60 0.00 0.00 56.93 57.82 3kcr s PHE 78 Cb -0.19 -2.66 0.02 0.00 0.51 0.00 0.00 43.02 40.70 3kcr s PHE 78 CO 0.13 -0.39 1.33 -0.51 0.70 0.00 0.00 175.22 176.48 3kcr s ASP 79 N -3.48 6.26 0.65 1.36 1.01 -1.26 -3.81 116.67 117.39 3kcr s ASP 79 Ca 0.55 0.24 0.00 0.00 0.71 0.00 0.00 52.55 54.05 3kcr s ASP 79 Cb -0.10 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.28 3kcr s ASP 79 CO 0.39 -1.61 0.00 0.61 0.21 0.00 0.00 175.17 174.76 3kcr n GLY 80 N 5.18 -0.35 3.07 0.21 0.00 -1.26 -4.82 105.19 107.21 3kcr n GLY 80 Ca 0.11 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 3kcr n GLY 80 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kcr s ASN 81 N -4.00 1.82 0.31 1.61 0.01 -1.26 -1.35 114.94 112.08 3kcr s ASN 81 Ca 0.00 -0.30 -0.09 0.00 -0.71 0.00 0.00 52.86 51.76 3kcr s ASN 81 Cb 0.00 -0.59 -0.07 0.00 0.41 0.00 0.00 41.25 41.01 3kcr s ASN 81 CO 0.00 0.10 0.64 0.00 -1.51 0.00 0.00 177.10 176.33 3kcr s ALA 82 N 0.24 3.48 0.26 0.60 0.00 -1.15 -4.73 121.76 120.45 3kcr s ALA 82 Ca -0.06 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.61 3kcr s ALA 82 Cb -0.12 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.45 3kcr s ALA 82 CO 0.02 0.25 0.23 0.00 0.00 0.00 0.00 175.76 176.27 3kcr s VAL 84 N -3.82 -0.03 0.43 0.00 1.01 -0.69 -0.69 120.40 116.62 3kcr s VAL 84 Ca 0.38 0.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.24 3kcr s VAL 84 Cb 0.04 -0.39 -0.10 0.00 0.00 0.00 0.00 36.38 35.94 3kcr s VAL 84 CO 0.18 0.04 0.99 -0.76 0.00 0.00 0.00 175.10 175.55 3kcr s LEU 85 N 0.91 3.97 -0.06 3.92 1.43 -1.17 -1.76 118.68 125.93 3kcr s LEU 85 Ca -0.06 1.83 -0.05 0.00 -1.03 0.00 0.00 54.13 54.82 3kcr s LEU 85 Cb -0.08 -4.45 0.02 0.00 0.03 0.00 0.00 46.19 41.71 3kcr s LEU 85 CO -0.06 -0.49 0.16 -0.76 0.23 0.00 0.00 176.35 175.42 3kcr s LEU 86 N -3.10 1.31 1.19 1.79 1.43 -1.19 -1.49 118.68 118.61 3kcr s LEU 86 Ca 0.62 0.32 -0.18 0.00 -1.03 0.00 0.00 54.13 53.86 3kcr s LEU 86 Cb -0.14 0.52 0.25 0.00 0.03 0.00 0.00 46.19 46.84 3kcr s LEU 86 CO 0.18 -0.07 0.53 0.59 0.23 0.00 0.00 176.35 177.82 3kcr n ASN 87 N 3.16 -3.28 -0.14 2.29 4.13 0.21 -4.18 115.26 117.45 3kcr n ASN 87 Ca -0.14 -0.52 0.01 0.00 1.68 0.00 0.00 54.58 55.61 3kcr n ASN 87 Cb 0.58 -0.89 0.03 0.00 -1.54 0.00 0.00 39.78 37.95 3kcr n ASN 87 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3kcr n ASN 88 N -3.07 1.81 0.00 6.41 4.13 -1.26 -3.40 115.26 119.87 3kcr n ASN 88 Ca 0.08 -1.63 0.00 0.00 1.68 0.00 0.00 54.58 54.71 3kcr n ASN 88 Cb 0.47 -0.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.67 3kcr n ASN 88 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 3kcr n ASN 89 N -0.08 0.33 0.00 6.41 6.94 -1.26 -4.71 115.26 122.90 3kcr n ASN 89 Ca 0.02 -0.66 0.00 0.00 -0.02 0.00 0.00 54.58 53.93 3kcr n ASN 89 Cb 0.20 0.39 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 3kcr n ASN 89 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 3kcr n SER 90 N -0.39 0.00 0.00 0.53 3.41 -1.26 -5.09 113.62 110.82 3kcr n SER 90 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3kcr n SER 90 Cb 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3kcr n SER 90 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kcr n GLU 91 N 0.00 0.00 -0.54 4.33 -0.58 -1.22 -4.89 120.64 117.74 3kcr n GLU 91 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3kcr n GLU 91 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3kcr n GLU 91 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3kcr n GLN 92 N 4.80 -1.44 -1.64 3.49 1.13 -1.26 -0.62 117.38 121.84 3kcr n GLN 92 Ca 0.00 1.11 -0.46 0.00 -1.94 0.00 0.00 57.00 55.71 3kcr n GLN 92 Cb 0.00 -1.37 -0.03 0.00 0.11 0.00 0.00 30.24 28.94 3kcr n GLN 92 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3kcr n PRO 93 N -1.76 1.78 -3.79 -1.09 -0.02 -1.26 -4.04 135.00 124.83 3kcr n PRO 93 Ca 0.00 0.64 -0.13 0.00 -2.02 0.00 0.00 63.50 61.99 3kcr n PRO 93 Cb 0.14 -2.27 -0.13 0.00 -0.02 0.00 0.00 33.50 31.22 3kcr n PRO 93 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kcr s ILE 94 N 0.11 -0.02 0.00 4.25 1.01 -0.56 -4.96 121.20 121.03 3kcr s ILE 94 Ca 0.72 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.44 3kcr s ILE 94 Cb -0.72 -0.27 0.00 0.00 0.01 0.00 0.00 42.46 41.48 3kcr s ILE 94 CO 0.48 0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.06 3kcr n GLY 95 N 3.45 1.45 0.27 6.18 0.00 -1.26 -3.03 105.19 112.26 3kcr n GLY 95 Ca -0.18 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 44.93 3kcr n GLY 95 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kcr h THR 96 N 0.00 0.53 -2.66 2.61 2.02 -1.95 -3.32 112.91 110.14 3kcr h THR 96 Ca 0.00 0.00 -0.74 0.00 0.77 0.00 0.00 66.41 66.44 3kcr h THR 96 Cb 0.00 0.53 -0.20 0.00 -1.74 0.00 0.00 68.15 66.74 3kcr h THR 96 CO 0.00 0.00 0.88 -0.13 0.37 0.00 0.00 175.52 176.64 3kcr s ARG 97 N -6.10 3.86 -0.16 6.66 0.52 -1.26 -4.89 118.95 117.58 3kcr s ARG 97 Ca -0.16 -2.35 -0.29 0.00 -0.52 0.00 0.00 55.73 52.41 3kcr s ARG 97 Cb 0.04 -4.86 -0.03 0.00 0.52 0.00 0.00 34.95 30.62 3kcr s ARG 97 CO 0.63 -1.64 1.52 0.42 0.02 0.00 0.00 175.30 176.25 3kcr s ILE 98 N 1.42 3.84 -0.01 1.52 1.01 -1.25 -0.69 121.20 127.05 3kcr s ILE 98 Ca 0.34 0.99 -0.09 0.00 0.00 0.00 0.00 60.65 61.89 3kcr s ILE 98 Cb -0.05 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 3kcr s ILE 98 CO -0.06 -0.19 0.29 -0.36 0.00 0.00 0.00 174.94 174.62 3kcr s PHE 99 N 4.34 3.61 0.15 3.97 0.08 -0.55 -4.95 117.98 124.63 3kcr s PHE 99 Ca 0.67 0.69 0.00 0.00 0.12 0.00 0.00 56.93 58.40 3kcr s PHE 99 Cb -0.26 -2.07 0.00 0.00 -0.57 0.00 0.00 43.02 40.12 3kcr s PHE 99 CO 0.25 0.63 0.00 0.41 -0.10 0.00 0.00 175.22 176.41 3kcr n GLY 100 N 1.39 -1.22 3.40 4.36 0.00 -1.26 -4.72 105.19 107.14 3kcr n GLY 100 Ca -0.13 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 3kcr n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kcr n PRO 101 N -2.78 0.33 -3.79 1.61 -0.02 -1.26 -4.60 135.00 124.49 3kcr n PRO 101 Ca 0.00 0.12 -0.14 0.00 -2.02 0.00 0.00 63.50 61.47 3kcr n PRO 101 Cb 0.30 -1.26 -0.15 0.00 -0.02 0.00 0.00 33.50 32.37 3kcr n PRO 101 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kcr s VAL 102 N -1.41 -0.04 0.64 -1.45 -7.23 -1.07 -4.77 120.40 105.08 3kcr s VAL 102 Ca 0.62 0.13 -0.18 0.00 -1.81 0.00 0.00 61.98 60.73 3kcr s VAL 102 Cb -0.69 -0.14 -0.02 0.00 0.56 0.00 0.00 36.38 36.09 3kcr s VAL 102 CO 0.59 0.05 1.27 0.35 -0.31 0.00 0.00 175.10 177.05 3kcr n THR 103 N 3.80 4.78 0.47 5.32 -2.24 -1.26 -2.71 114.28 122.44 3kcr n THR 103 Ca -0.22 -0.50 0.09 0.00 -2.27 0.00 0.00 64.05 61.15 3kcr n THR 103 Cb 0.54 -1.47 0.40 0.00 -2.10 0.00 0.00 70.33 67.70 3kcr n THR 103 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3kcr n ARG 104 N -1.76 0.09 0.00 -0.78 0.00 -1.26 -3.33 116.66 109.62 3kcr n ARG 104 Ca 0.15 0.32 0.10 0.00 -0.00 0.00 0.00 57.85 58.43 3kcr n ARG 104 Cb 0.48 -1.67 0.56 0.00 -0.00 0.00 0.00 32.46 31.82 3kcr n ARG 104 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3kcr n GLU 105 N -1.85 0.38 0.00 2.89 -0.58 -1.26 -4.12 120.64 116.10 3kcr n GLU 105 Ca 0.03 0.07 0.10 0.00 -0.42 0.00 0.00 57.16 56.94 3kcr n GLU 105 Cb 0.21 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.62 3kcr n GLU 105 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3kcr n LEU 106 N -1.22 2.35 -4.56 -4.62 4.77 -1.21 -4.91 117.00 107.60 3kcr n LEU 106 Ca 0.11 -0.88 -0.29 0.00 -0.03 0.00 0.00 56.01 54.92 3kcr n LEU 106 Cb 0.15 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 3kcr n LEU 106 CO 0.15 0.42 1.41 -0.13 -1.33 0.00 0.00 177.39 177.91 3kcr s ARG 107 N -2.03 2.50 0.00 3.23 0.52 -1.26 -4.39 118.95 117.51 3kcr s ARG 107 Ca 0.21 0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 3kcr s ARG 107 Cb 0.17 -4.88 0.00 0.00 0.52 0.00 0.00 34.95 30.77 3kcr s ARG 107 CO 0.39 -3.30 0.00 -1.13 0.02 0.00 0.00 175.30 171.28 3kcr n SER 108 N 14.06 4.09 -3.08 0.23 3.41 -1.26 -5.01 113.62 126.07 3kcr n SER 108 Ca 0.36 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.80 3kcr n SER 108 Cb 0.48 0.16 0.07 0.00 -0.26 0.00 0.00 64.21 64.66 3kcr n SER 108 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kcr n GLU 109 N -2.26 -6.15 0.00 4.33 4.71 -1.26 -4.79 120.64 115.21 3kcr n GLU 109 Ca 0.00 0.71 0.00 0.00 -0.01 0.00 0.00 57.16 57.86 3kcr n GLU 109 Cb 0.47 -5.35 0.00 0.00 -1.01 0.00 0.00 31.44 25.56 3kcr n GLU 109 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3kcr n LYS 110 N -3.96 0.00 -0.38 3.49 5.02 -1.26 -4.34 118.16 116.72 3kcr n LYS 110 Ca -0.12 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.25 3kcr n LYS 110 Cb 0.60 -0.02 0.24 0.00 -0.02 0.00 0.00 35.03 35.82 3kcr n LYS 110 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3kcr n PHE 111 N 0.00 0.83 0.00 2.13 0.99 -1.26 -4.63 117.46 115.51 3kcr n PHE 111 Ca 0.00 -0.81 0.00 0.00 -0.00 0.00 0.00 57.45 56.64 3kcr n PHE 111 Cb 0.02 -0.26 0.00 0.00 -1.00 0.00 0.00 39.48 38.24 3kcr n PHE 111 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 3kcr n MET 112 N -0.34 0.00 -0.36 -1.08 0.00 -1.26 -0.05 117.12 114.03 3kcr n MET 112 Ca 0.19 0.00 0.28 0.00 0.00 0.00 0.00 57.70 58.17 3kcr n MET 112 Cb 0.80 0.00 0.56 0.00 0.00 0.00 0.00 33.22 34.58 3kcr n MET 112 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 3kcr h LYS 113 N 0.00 0.27 0.08 0.03 1.57 -1.95 -1.82 116.57 114.75 3kcr h LYS 113 Ca 0.00 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 3kcr h LYS 113 Cb 0.00 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.26 3kcr h LYS 113 CO 0.00 0.18 -0.48 0.97 -0.57 0.00 0.00 179.45 179.55 3kcr h ILE 114 N 0.28 1.62 -1.49 1.86 2.10 -0.80 -2.58 117.51 118.49 3kcr h ILE 114 Ca 0.66 -2.42 -0.72 0.00 1.08 0.00 0.00 64.86 63.46 3kcr h ILE 114 Cb 1.86 3.23 -0.18 0.00 -1.09 0.00 0.00 36.82 40.64 3kcr h ILE 114 CO -0.32 0.67 1.60 2.30 -1.08 0.00 0.00 178.15 181.32 3kcr n ILE 115 N -4.32 5.01 -1.36 2.19 -0.00 -0.81 -1.28 119.36 118.78 3kcr n ILE 115 Ca -0.12 -4.53 0.00 0.00 -0.00 0.00 0.00 62.75 58.10 3kcr n ILE 115 Cb 0.68 -1.79 0.00 0.00 -0.00 0.00 0.00 39.64 38.53 3kcr n ILE 115 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 3kcr n SER 116 N 0.93 0.00 -4.72 7.28 3.41 -0.75 -4.78 113.62 114.99 3kcr n SER 116 Ca 0.55 -0.68 -0.42 0.00 -0.26 0.00 0.00 58.87 58.06 3kcr n SER 116 Cb 0.30 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 3kcr n SER 116 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3kcr s LEU 117 N 0.00 4.38 0.21 1.04 2.96 -0.40 -4.95 118.68 121.92 3kcr s LEU 117 Ca 0.00 2.28 -0.08 0.00 -0.22 0.00 0.00 54.13 56.10 3kcr s LEU 117 Cb 0.00 -3.59 0.16 0.00 0.50 0.00 0.00 46.19 43.27 3kcr s LEU 117 CO 0.00 -0.61 1.81 0.00 -1.32 0.00 0.00 176.35 176.24 3kcr h ALA 118 N 6.65 1.03 0.00 5.97 0.00 -1.90 -2.54 119.26 128.47 3kcr h ALA 118 Ca -0.42 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 3kcr h ALA 118 Cb 1.21 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3kcr h ALA 118 CO 0.85 0.58 -0.48 -1.00 0.00 0.00 0.00 179.25 179.20 3kcr h PRO 119 N 1.12 0.00 -1.94 0.00 0.13 -1.93 -3.41 132.00 125.98 3kcr h PRO 119 Ca 0.28 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.37 3kcr h PRO 119 Cb 0.10 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.03 3kcr h PRO 119 CO -0.04 0.48 0.25 -2.00 -0.23 0.00 0.00 178.00 176.46 3kcr s GLU 120 N -3.42 0.98 0.00 0.86 2.12 -1.23 -4.55 118.70 113.46 3kcr s GLU 120 Ca 0.01 0.23 0.28 0.00 0.36 0.00 0.00 54.97 55.84 3kcr s GLU 120 Cb 0.11 0.46 1.03 0.00 0.26 0.00 0.00 34.13 35.99 3kcr s GLU 120 CO 0.72 -0.31 1.73 0.28 -0.54 0.00 0.00 175.26 177.14