#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr n LYS 2 N 0.00 0.00 -0.05 0.00 3.00 -1.26 -1.41 118.16 118.43 3kcr n LYS 2 Ca 0.00 0.71 0.07 0.00 -0.00 0.00 0.00 58.31 59.10 3kcr n LYS 2 Cb 0.00 -1.47 0.45 0.00 0.00 0.00 0.00 35.03 34.01 3kcr n LYS 2 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3kcr h LEU 3 N 0.00 0.45 0.10 3.14 6.46 -1.97 0.19 115.31 123.67 3kcr h LEU 3 Ca 0.00 -0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 3kcr h LEU 3 Cb 0.00 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 3kcr h LEU 3 CO 0.00 0.30 -0.13 -0.74 -0.62 0.00 0.00 178.44 177.25 3kcr h HIS 4 N 0.52 -0.33 -0.06 1.25 2.76 -1.88 -2.29 115.15 115.11 3kcr h HIS 4 Ca 0.22 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.40 3kcr h HIS 4 Cb 0.21 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 3kcr h HIS 4 CO -0.00 -0.20 -0.01 -0.44 -1.30 0.00 0.00 177.93 175.99 3kcr h ASP 5 N -0.27 -0.04 -0.81 3.26 3.32 -0.47 -3.27 116.42 118.15 3kcr h ASP 5 Ca 0.01 0.01 0.16 0.00 0.02 0.00 0.00 57.03 57.24 3kcr h ASP 5 Cb 0.27 0.03 -0.10 0.00 0.22 0.00 0.00 39.33 39.75 3kcr h ASP 5 CO -0.06 -0.01 0.36 0.22 -1.72 0.00 0.00 179.24 178.03 3kcr h TYR 6 N 0.01 0.61 -0.02 4.55 5.03 -0.46 0.48 116.97 127.17 3kcr h TYR 6 Ca 0.03 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.38 3kcr h TYR 6 Cb 0.04 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.16 3kcr h TYR 6 CO -0.11 0.08 -0.05 -0.92 -1.32 0.00 0.00 178.16 175.84 3kcr h TYR 7 N 0.49 -0.15 0.00 -3.82 3.20 -1.49 -2.23 116.97 112.97 3kcr h TYR 7 Ca 0.45 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.33 3kcr h TYR 7 Cb 0.71 0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.05 3kcr h TYR 7 CO -0.14 -0.05 0.06 1.63 -1.64 0.00 0.00 178.16 178.02 3kcr n LYS 8 N -2.85 0.06 0.00 1.82 5.02 -0.06 -0.13 118.16 122.02 3kcr n LYS 8 Ca -0.01 0.52 0.12 0.00 -2.02 0.00 0.00 58.31 56.93 3kcr n LYS 8 Cb 0.03 -1.75 0.10 0.00 -0.02 0.00 0.00 35.03 33.40 3kcr n LYS 8 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3kcr n ASP 9 N -1.78 2.70 0.00 4.39 8.00 -0.04 -4.48 116.55 125.34 3kcr n ASP 9 Ca -0.01 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.63 3kcr n ASP 9 Cb 0.08 0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 3kcr n ASP 9 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3kcr n GLU 10 N 0.98 1.32 -4.16 -1.24 2.13 -0.17 -5.02 120.64 114.48 3kcr n GLU 10 Ca 0.13 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.85 3kcr n GLU 10 Cb 0.56 -0.50 -0.10 0.00 0.27 0.00 0.00 31.44 31.67 3kcr n GLU 10 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3kcr s VAL 11 N -0.79 0.22 0.00 6.31 1.01 0.82 -4.75 120.40 123.22 3kcr s VAL 11 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 61.98 60.07 3kcr s VAL 11 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.39 3kcr s VAL 11 CO 0.00 -0.53 0.00 0.52 0.00 0.00 0.00 175.10 175.09 3kcr n VAL 12 N -0.10 0.00 -1.82 2.92 0.31 -1.26 -4.09 118.33 114.29 3kcr n VAL 12 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3kcr n VAL 12 Cb 0.63 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 3kcr n VAL 12 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3kcr n LYS 13 N -1.40 0.00 0.00 5.55 2.85 -1.26 -4.39 118.16 119.52 3kcr n LYS 13 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3kcr n LYS 13 Cb 0.26 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.64 3kcr n LYS 13 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 3kcr n LYS 14 N 0.00 0.00 0.00 -1.58 2.85 -1.26 -4.69 118.16 113.48 3kcr n LYS 14 Ca 0.00 -0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 3kcr n LYS 14 Cb 0.38 -0.03 0.00 0.00 -0.65 0.00 0.00 35.03 34.73 3kcr n LYS 14 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 3kcr n LEU 15 N 0.00 0.21 0.37 -5.58 7.94 -1.26 -4.35 117.00 114.33 3kcr n LEU 15 Ca 0.00 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.73 3kcr n LEU 15 Cb 0.47 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.34 3kcr n LEU 15 CO 0.00 0.04 0.59 -0.03 -1.11 0.00 0.00 177.39 176.87 3kcr h MET 16 N 0.00 -0.89 0.00 1.96 4.05 -1.89 -3.22 114.93 114.94 3kcr h MET 16 Ca 0.00 0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.39 3kcr h MET 16 Cb 0.23 0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 3kcr h MET 16 CO 0.00 -0.57 -0.45 1.79 0.23 0.00 0.00 176.91 177.91 3kcr h THR 17 N -1.01 0.99 -0.86 -0.77 1.35 -1.84 0.44 112.91 111.22 3kcr h THR 17 Ca -0.09 -1.78 0.10 0.00 -0.55 0.00 0.00 66.41 64.09 3kcr h THR 17 Cb 0.73 2.06 -0.08 0.00 -1.73 0.00 0.00 68.15 69.14 3kcr h THR 17 CO 0.16 0.44 0.50 -0.08 -0.25 0.00 0.00 175.52 176.29 3kcr h GLU 18 N 0.00 0.80 -0.01 4.72 4.81 -1.76 -2.79 114.58 120.35 3kcr h GLU 18 Ca -0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3kcr h GLU 18 Cb 1.03 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.23 3kcr h GLU 18 CO 0.06 0.53 -0.19 1.19 -0.73 0.00 0.00 179.01 179.87 3kcr n PHE 19 N -4.72 0.00 -3.07 0.92 0.99 -0.99 -5.02 117.46 105.57 3kcr n PHE 19 Ca 0.15 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.47 3kcr n PHE 19 Cb 0.29 0.00 0.07 0.00 -1.00 0.00 0.00 39.48 38.84 3kcr n PHE 19 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3kcr n ASN 20 N -0.15 -2.76 -4.80 4.37 3.02 0.15 -4.97 115.26 110.12 3kcr n ASN 20 Ca 0.05 -0.50 -0.30 0.00 -0.03 0.00 0.00 54.58 53.80 3kcr n ASN 20 Cb 0.22 -4.13 0.09 0.00 -0.61 0.00 0.00 39.78 35.35 3kcr n ASN 20 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3kcr s TYR 21 N -3.29 2.84 0.22 3.10 2.02 -1.04 -4.95 117.35 116.26 3kcr s TYR 21 Ca 0.07 1.17 -0.06 0.00 -0.37 0.00 0.00 57.07 57.88 3kcr s TYR 21 Cb -0.01 -3.11 0.18 0.00 -0.40 0.00 0.00 41.96 38.63 3kcr s TYR 21 CO 0.57 -1.74 1.71 -0.91 -1.57 0.00 0.00 175.55 173.61 3kcr h ASN 22 N -1.07 0.95 -2.40 2.29 2.35 -1.93 -3.47 115.58 112.29 3kcr h ASN 22 Ca -0.47 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.01 3kcr h ASN 22 Cb 1.26 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.39 3kcr h ASN 22 CO 0.59 0.98 0.17 -1.54 -1.65 0.00 0.00 177.43 175.99 3kcr n SER 23 N -4.20 -1.54 0.09 5.81 3.41 -1.26 -4.99 113.62 110.93 3kcr n SER 23 Ca 0.03 -2.10 0.09 0.00 -0.26 0.00 0.00 58.87 56.63 3kcr n SER 23 Cb 0.31 2.58 0.40 0.00 -0.26 0.00 0.00 64.21 67.25 3kcr n SER 23 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3kcr n VAL 24 N -0.37 1.08 1.17 -3.33 0.24 -1.26 -2.72 118.33 113.14 3kcr n VAL 24 Ca -0.06 0.39 0.04 0.00 -2.04 0.00 0.00 64.34 62.68 3kcr n VAL 24 Cb 0.41 -1.31 0.13 0.00 -1.47 0.00 0.00 33.84 31.60 3kcr n VAL 24 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3kcr n MET 25 N -1.97 1.61 -0.19 7.34 2.81 -1.26 -3.10 117.12 122.35 3kcr n MET 25 Ca 0.01 -0.94 0.00 0.00 -1.81 0.00 0.00 57.70 54.96 3kcr n MET 25 Cb 0.14 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 3kcr n MET 25 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3kcr n GLN 26 N 0.26 0.00 -4.69 0.03 6.02 -1.10 -5.02 117.38 112.88 3kcr n GLN 26 Ca 0.09 -0.45 -0.30 0.00 -0.01 0.00 0.00 57.00 56.33 3kcr n GLN 26 Cb 0.22 -0.33 -0.13 0.00 1.02 0.00 0.00 30.24 31.02 3kcr n GLN 26 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3kcr s VAL 27 N 0.00 2.47 1.11 5.09 1.01 -1.18 -4.91 120.40 123.98 3kcr s VAL 27 Ca 0.00 -1.37 -0.17 0.00 0.00 0.00 0.00 61.98 60.44 3kcr s VAL 27 Cb 0.00 -2.03 0.13 0.00 0.00 0.00 0.00 36.38 34.48 3kcr s VAL 27 CO 0.00 0.29 0.24 -2.65 0.00 0.00 0.00 175.10 172.98 3kcr n PRO 28 N 1.49 -1.56 0.00 2.72 -0.02 -1.26 -4.93 135.00 131.44 3kcr n PRO 28 Ca -0.17 -0.43 0.00 0.00 -2.02 0.00 0.00 63.50 60.88 3kcr n PRO 28 Cb 0.52 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3kcr n PRO 28 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kcr n ARG 29 N -2.53 1.05 -3.81 -0.52 1.74 -1.26 -5.02 116.66 106.31 3kcr n ARG 29 Ca 0.02 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.84 3kcr n ARG 29 Cb 0.60 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.87 3kcr n ARG 29 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kcr s VAL 30 N 0.14 0.71 0.11 1.55 1.01 -1.26 -4.51 120.40 118.14 3kcr s VAL 30 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3kcr s VAL 30 Cb 0.00 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 3kcr s VAL 30 CO 0.00 0.07 0.12 -0.62 0.00 0.00 0.00 175.10 174.67 3kcr n GLU 31 N 5.01 0.17 -0.85 2.72 -0.58 -1.26 -4.92 120.64 120.93 3kcr n GLU 31 Ca -0.10 -1.01 -0.28 0.00 -0.42 0.00 0.00 57.16 55.35 3kcr n GLU 31 Cb 0.48 0.88 0.01 0.00 -0.57 0.00 0.00 31.44 32.25 3kcr n GLU 31 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3kcr n LYS 32 N -0.20 0.00 -4.89 3.49 2.85 -1.26 -4.32 118.16 113.83 3kcr n LYS 32 Ca 0.02 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.95 3kcr n LYS 32 Cb 0.19 -0.72 -0.16 0.00 -0.65 0.00 0.00 35.03 33.69 3kcr n LYS 32 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3kcr s ILE 33 N -1.45 2.59 -0.50 0.58 1.01 0.51 -2.54 121.20 121.40 3kcr s ILE 33 Ca 0.38 -0.82 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 3kcr s ILE 33 Cb -0.30 -2.05 0.10 0.00 0.01 0.00 0.00 42.46 40.22 3kcr s ILE 33 CO 0.51 0.54 0.44 0.42 0.00 0.00 0.00 174.94 176.84 3kcr s THR 34 N 0.44 5.19 -0.09 2.92 -4.23 0.99 -1.05 115.64 119.81 3kcr s THR 34 Ca -0.13 -1.26 -0.13 0.00 -1.18 0.00 0.00 61.69 58.99 3kcr s THR 34 Cb -0.17 -4.20 -0.05 0.00 1.34 0.00 0.00 72.50 69.43 3kcr s THR 34 CO 0.06 -0.70 0.31 -0.22 -0.54 0.00 0.00 174.62 173.53 3kcr s LEU 35 N 1.62 4.37 -0.11 4.79 2.96 -0.66 -3.44 118.68 128.20 3kcr s LEU 35 Ca 0.04 0.69 -0.27 0.00 -0.22 0.00 0.00 54.13 54.37 3kcr s LEU 35 Cb -0.27 -2.41 -0.26 0.00 0.50 0.00 0.00 46.19 43.76 3kcr s LEU 35 CO 0.05 0.25 0.85 -1.13 -1.32 0.00 0.00 176.35 175.05 3kcr h ASN 36 N 5.55 0.08 -6.28 3.68 -0.73 -1.85 -3.29 115.58 112.73 3kcr h ASN 36 Ca -0.48 -0.93 -0.47 0.00 1.87 0.00 0.00 56.30 56.28 3kcr h ASN 36 Cb 1.20 -0.03 -0.03 0.00 0.27 0.00 0.00 38.32 39.74 3kcr h ASN 36 CO 0.66 1.01 -0.76 0.80 -0.37 0.00 0.00 177.43 178.77 3kcr n MET 37 N -4.56 -5.59 -0.48 6.67 0.00 -1.26 -1.09 117.12 110.82 3kcr n MET 37 Ca -0.10 0.60 -0.28 0.00 -0.00 0.00 0.00 57.70 57.92 3kcr n MET 37 Cb 0.51 -5.49 0.26 0.00 0.00 0.00 0.00 33.22 28.50 3kcr n MET 37 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3kcr s GLY 38 N -3.35 1.54 0.20 -5.12 0.00 -1.26 -2.31 107.32 97.01 3kcr s GLY 38 Ca 0.64 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.24 3kcr s GLY 38 CO 0.83 0.62 0.00 -0.62 0.00 0.00 0.00 173.10 173.93 3kcr n VAL 39 N -5.03 0.28 0.00 1.40 0.31 -0.17 -3.01 118.33 112.10 3kcr n VAL 39 Ca 0.03 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 3kcr n VAL 39 Cb 0.54 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 3kcr n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kcr n GLY 40 N 2.06 0.72 0.00 2.92 0.00 -1.24 -1.12 105.19 108.53 3kcr n GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kcr n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kcr n GLU 41 N 0.00 0.00 -2.69 1.61 4.71 -1.26 -5.02 120.64 117.99 3kcr n GLU 41 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 3kcr n GLU 41 Cb 0.00 0.00 0.12 0.00 -1.01 0.00 0.00 31.44 30.55 3kcr n GLU 41 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kcr n ALA 42 N 1.68 2.68 -0.05 0.62 0.00 -1.26 -4.97 120.51 119.21 3kcr n ALA 42 Ca 0.00 -1.30 0.02 0.00 0.00 0.00 0.00 53.44 52.17 3kcr n ALA 42 Cb 0.00 -0.85 0.36 0.00 0.00 0.00 0.00 19.45 18.95 3kcr n ALA 42 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3kcr h ILE 43 N 3.94 1.14 0.00 0.00 2.10 -1.94 -3.40 117.51 119.36 3kcr h ILE 43 Ca -0.38 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.21 3kcr h ILE 43 Cb 1.29 0.48 0.00 0.00 -1.09 0.00 0.00 36.82 37.51 3kcr h ILE 43 CO -0.12 0.15 0.00 0.00 -1.08 0.00 0.00 178.15 177.11 3kcr n ALA 44 N -2.46 0.00 0.06 0.18 0.00 -1.26 -4.79 120.51 112.24 3kcr n ALA 44 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 3kcr n ALA 44 Cb 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.46 3kcr n ALA 44 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kcr h ASP 45 N 0.00 -0.19 -5.70 0.00 3.32 -1.98 -3.47 116.42 108.41 3kcr h ASP 45 Ca 0.00 -0.35 -0.35 0.00 0.02 0.00 0.00 57.03 56.36 3kcr h ASP 45 Cb 0.12 0.05 0.16 0.00 0.22 0.00 0.00 39.33 39.88 3kcr h ASP 45 CO 0.00 0.32 -0.75 0.29 -1.72 0.00 0.00 179.24 177.38 3kcr n LYS 46 N -4.95 -6.92 0.00 3.56 5.02 -1.26 -4.80 118.16 108.80 3kcr n LYS 46 Ca -0.08 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 3kcr n LYS 46 Cb 0.27 -5.87 0.00 0.00 -0.02 0.00 0.00 35.03 29.41 3kcr n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kcr n LYS 47 N -4.33 0.00 0.08 1.97 4.76 -1.26 -4.59 118.16 114.79 3kcr n LYS 47 Ca -0.22 0.00 0.17 0.00 -2.87 0.00 0.00 58.31 55.39 3kcr n LYS 47 Cb 0.65 -0.15 0.69 0.00 -1.84 0.00 0.00 35.03 34.38 3kcr n LYS 47 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3kcr h LEU 48 N 0.00 0.00 -0.72 -0.35 3.38 -1.95 -2.63 115.31 113.04 3kcr h LEU 48 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3kcr h LEU 48 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3kcr h LEU 48 CO 0.00 0.00 0.10 0.25 0.09 0.00 0.00 178.44 178.88 3kcr h LEU 49 N 0.00 1.04 -2.26 1.67 5.85 -1.88 -2.86 115.31 116.88 3kcr h LEU 49 Ca 0.18 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3kcr h LEU 49 Cb 0.73 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 3kcr h LEU 49 CO -0.00 1.03 0.05 0.44 -0.34 0.00 0.00 178.44 179.62 3kcr h ASP 50 N 1.02 0.00 0.05 1.25 3.45 -1.71 -2.16 116.42 118.31 3kcr h ASP 50 Ca 0.20 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.66 3kcr h ASP 50 Cb 0.44 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 3kcr h ASP 50 CO 0.01 0.00 -0.02 0.78 -1.57 0.00 0.00 179.24 178.44 3kcr h ASN 51 N 0.00 -0.05 -0.87 6.45 4.21 -1.60 -1.33 115.58 122.38 3kcr h ASN 51 Ca 0.03 -0.59 0.12 0.00 1.21 0.00 0.00 56.30 57.07 3kcr h ASN 51 Cb 0.13 0.01 -0.07 0.00 -1.12 0.00 0.00 38.32 37.28 3kcr h ASN 51 CO -0.00 0.68 0.56 0.00 -1.29 0.00 0.00 177.43 177.38 3kcr h ALA 52 N -0.22 1.78 0.05 -0.83 0.00 -1.59 -2.78 119.26 115.67 3kcr h ALA 52 Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kcr h ALA 52 Cb 0.64 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kcr h ALA 52 CO 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 179.25 179.24 3kcr h ALA 53 N 1.59 -0.06 -0.22 0.00 0.00 -1.41 -2.62 119.26 116.54 3kcr h ALA 53 Ca 0.42 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.27 3kcr h ALA 53 Cb 0.60 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3kcr h ALA 53 CO -0.18 -0.42 0.19 0.00 0.00 0.00 0.00 179.25 178.84 3kcr h ALA 54 N 0.65 1.99 -0.44 0.00 0.00 -0.97 -2.64 119.26 117.85 3kcr h ALA 54 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3kcr h ALA 54 Cb 0.27 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3kcr h ALA 54 CO 0.01 -0.31 -0.26 -0.44 0.00 0.00 0.00 179.25 178.25 3kcr h ASP 55 N 0.00 0.96 -0.41 0.00 3.32 -1.29 0.48 116.42 119.48 3kcr h ASP 55 Ca 0.10 -0.38 -0.07 0.00 0.02 0.00 0.00 57.03 56.70 3kcr h ASP 55 Cb 0.49 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3kcr h ASP 55 CO -0.00 1.16 -0.03 0.25 -1.72 0.00 0.00 179.24 178.90 3kcr h LEU 56 N 0.79 0.74 -0.63 1.55 5.85 -1.58 -2.70 115.31 119.32 3kcr h LEU 56 Ca 0.09 -0.33 -0.15 0.00 0.84 0.00 0.00 57.88 58.34 3kcr h LEU 56 Cb 0.83 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3kcr h LEU 56 CO 0.07 0.89 -0.55 0.00 -0.34 0.00 0.00 178.44 178.51 3kcr h ALA 57 N 0.88 0.82 -0.14 1.25 0.00 -0.87 -3.21 119.26 117.99 3kcr h ALA 57 Ca 0.11 -0.51 0.05 0.00 0.00 0.00 0.00 54.91 54.56 3kcr h ALA 57 Cb 0.53 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 3kcr h ALA 57 CO 0.03 0.69 -0.24 0.00 0.00 0.00 0.00 179.25 179.73 3kcr h ALA 58 N 1.12 -0.21 -3.00 0.00 0.00 -0.06 -3.34 119.26 113.78 3kcr h ALA 58 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kcr h ALA 58 Cb 1.06 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3kcr h ALA 58 CO 0.09 -0.70 0.00 -0.89 0.00 0.00 0.00 179.25 177.76 3kcr n ILE 59 N -5.37 0.00 -0.98 0.00 5.41 -1.02 -4.76 119.36 112.64 3kcr n ILE 59 Ca -0.03 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.42 3kcr n ILE 59 Cb 0.28 -0.05 0.13 0.00 -0.71 0.00 0.00 39.64 39.30 3kcr n ILE 59 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3kcr s SER 60 N -1.00 3.62 0.00 4.38 1.04 -1.22 -4.94 113.70 115.58 3kcr s SER 60 Ca 0.00 1.97 0.27 0.00 0.48 0.00 0.00 55.95 58.67 3kcr s SER 60 Cb 0.00 -2.52 1.41 0.00 0.10 0.00 0.00 66.02 65.01 3kcr s SER 60 CO 0.00 -2.62 1.94 0.61 0.98 0.00 0.00 173.24 174.14 3kcr n GLY 61 N -0.50 -1.13 3.67 7.32 0.00 -1.25 -3.90 105.19 109.40 3kcr n GLY 61 Ca 0.10 -0.14 -0.47 0.00 0.00 0.00 0.00 46.02 45.51 3kcr n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kcr n GLN 62 N -1.24 2.07 -3.60 1.61 6.02 -1.25 -4.66 117.38 116.33 3kcr n GLN 62 Ca 0.14 0.75 -0.40 0.00 -0.01 0.00 0.00 57.00 57.49 3kcr n GLN 62 Cb 0.20 -2.54 -0.11 0.00 1.02 0.00 0.00 30.24 28.81 3kcr n GLN 62 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3kcr s LYS 63 N 2.08 3.35 0.01 -1.09 1.02 -1.26 -2.03 119.74 121.80 3kcr s LYS 63 Ca 0.85 -0.73 -0.11 0.00 0.02 0.00 0.00 55.97 55.99 3kcr s LYS 63 Cb -0.71 -3.68 -0.06 0.00 -0.52 0.00 0.00 37.83 32.86 3kcr s LYS 63 CO 0.44 -0.46 0.30 -2.30 -0.92 0.00 0.00 175.35 172.41 3kcr n PRO 64 N 5.04 0.00 -3.36 -1.68 -0.02 -1.26 -4.96 135.00 128.75 3kcr n PRO 64 Ca -0.13 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.94 3kcr n PRO 64 Cb 0.49 -0.42 -0.09 0.00 -0.02 0.00 0.00 33.50 33.46 3kcr n PRO 64 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kcr s LEU 65 N 0.08 4.34 0.95 2.45 2.96 -0.79 -4.99 118.68 123.68 3kcr s LEU 65 Ca 0.26 -0.09 -0.13 0.00 -0.22 0.00 0.00 54.13 53.96 3kcr s LEU 65 Cb -0.36 -2.41 0.04 0.00 0.50 0.00 0.00 46.19 43.96 3kcr s LEU 65 CO 0.17 -0.34 0.42 2.30 -1.32 0.00 0.00 176.35 177.58 3kcr n ILE 66 N 5.26 0.00 -4.18 6.68 -5.35 -1.26 -1.99 119.36 118.52 3kcr n ILE 66 Ca -0.08 -0.19 -0.25 0.00 -0.27 0.00 0.00 62.75 61.97 3kcr n ILE 66 Cb 0.49 -0.63 -0.06 0.00 -1.74 0.00 0.00 39.64 37.70 3kcr n ILE 66 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3kcr s THR 67 N -2.40 3.96 0.22 7.28 2.01 -1.25 -4.68 115.64 120.78 3kcr s THR 67 Ca 0.57 -1.46 0.01 0.00 0.31 0.00 0.00 61.69 61.12 3kcr s THR 67 Cb -0.21 -3.05 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 3kcr s THR 67 CO 0.67 -0.22 0.06 -0.54 -0.69 0.00 0.00 174.62 173.91 3kcr s LYS 68 N -3.31 1.29 -0.24 4.92 1.02 -1.24 -1.81 119.74 120.37 3kcr s LYS 68 Ca 0.30 -1.67 -0.04 0.00 0.02 0.00 0.00 55.97 54.57 3kcr s LYS 68 Cb -0.09 -0.23 -0.00 0.00 -0.52 0.00 0.00 37.83 36.99 3kcr s LYS 68 CO 0.21 -0.24 -0.01 0.00 -0.92 0.00 0.00 175.35 174.39 3kcr s ALA 69 N -3.74 2.88 -0.37 5.17 0.00 -0.87 -4.57 121.76 120.25 3kcr s ALA 69 Ca 0.33 -1.26 0.07 0.00 0.00 0.00 0.00 51.96 51.10 3kcr s ALA 69 Cb 0.07 -1.82 0.65 0.00 0.00 0.00 0.00 23.12 22.03 3kcr s ALA 69 CO 0.10 -0.58 1.78 0.54 0.00 0.00 0.00 175.76 177.60 3kcr n ARG 70 N 4.80 2.59 -4.16 0.00 5.12 -1.26 -1.65 116.66 122.11 3kcr n ARG 70 Ca -0.17 -3.06 -0.10 0.00 -1.93 0.00 0.00 57.85 52.58 3kcr n ARG 70 Cb 0.50 -2.11 -0.10 0.00 -1.16 0.00 0.00 32.46 29.59 3kcr n ARG 70 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3kcr s LYS 71 N -3.19 0.82 0.00 5.56 1.02 -1.26 -5.06 119.74 117.62 3kcr s LYS 71 Ca 0.53 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 55.20 3kcr s LYS 71 Cb 0.45 -0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 3kcr s LYS 71 CO 0.09 -0.04 0.43 0.45 -0.92 0.00 0.00 175.35 175.36 3kcr n SER 72 N -0.03 0.86 -3.74 2.83 2.88 -1.26 -2.62 113.62 112.53 3kcr n SER 72 Ca -0.12 -1.02 -0.07 0.00 -1.33 0.00 0.00 58.87 56.33 3kcr n SER 72 Cb 0.61 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.06 3kcr n SER 72 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3kcr s VAL 73 N -0.02 0.00 0.37 2.46 -7.23 -1.25 -2.04 120.40 112.69 3kcr s VAL 73 Ca 0.00 -0.98 -0.08 0.00 -1.81 0.00 0.00 61.98 59.11 3kcr s VAL 73 Cb 0.00 -2.11 0.03 0.00 0.56 0.00 0.00 36.38 34.86 3kcr s VAL 73 CO 0.00 0.00 0.62 0.00 -0.31 0.00 0.00 175.10 175.41 3kcr s ALA 74 N -3.68 0.13 -1.42 1.32 0.00 0.19 -4.74 121.76 113.55 3kcr s ALA 74 Ca 0.12 -1.20 0.21 0.00 0.00 0.00 0.00 51.96 51.10 3kcr s ALA 74 Cb -0.06 0.94 1.08 0.00 0.00 0.00 0.00 23.12 25.08 3kcr s ALA 74 CO 0.07 -0.88 1.69 0.41 0.00 0.00 0.00 175.76 177.05 3kcr n GLY 75 N -0.56 -1.00 0.00 0.00 0.00 -1.26 -4.04 105.19 98.33 3kcr n GLY 75 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3kcr n GLY 75 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kcr n PHE 76 N -1.29 0.00 0.00 1.61 3.72 -1.26 -5.16 117.46 115.08 3kcr n PHE 76 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 3kcr n PHE 76 Cb 0.17 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 3kcr n PHE 76 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3kcr n LYS 77 N 0.00 0.00 0.00 -1.08 5.02 -1.26 -5.04 118.16 115.80 3kcr n LYS 77 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kcr n LYS 77 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3kcr n LYS 77 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3kcr n ILE 78 N 0.00 0.00 -1.21 -0.18 5.41 -1.26 -0.64 119.36 121.48 3kcr n ILE 78 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3kcr n ILE 78 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3kcr n ILE 78 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 3kcr n ARG 79 N -1.40 0.00 -0.96 0.38 1.85 -0.86 -3.82 116.66 111.85 3kcr n ARG 79 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3kcr n ARG 79 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3kcr n ARG 79 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 3kcr n GLN 80 N 0.00 -1.00 0.00 2.89 7.27 -1.08 -4.78 117.38 120.68 3kcr n GLN 80 Ca 0.00 1.12 0.00 0.00 0.07 0.00 0.00 57.00 58.19 3kcr n GLN 80 Cb 0.08 -0.96 0.00 0.00 2.41 0.00 0.00 30.24 31.77 3kcr n GLN 80 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kcr n GLY 81 N 0.34 -0.20 3.73 1.69 0.00 -0.66 -4.83 105.19 105.27 3kcr n GLY 81 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3kcr n GLY 81 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kcr s TYR 82 N -0.64 3.50 0.54 1.61 -0.85 -1.26 -3.94 117.35 116.31 3kcr s TYR 82 Ca 0.00 0.73 -0.18 0.00 -0.52 0.00 0.00 57.07 57.10 3kcr s TYR 82 Cb 0.00 -2.42 -0.12 0.00 0.38 0.00 0.00 41.96 39.80 3kcr s TYR 82 CO 0.00 0.24 0.11 -2.30 -1.52 0.00 0.00 175.55 172.07 3kcr n PRO 83 N 3.50 0.18 0.00 -3.49 -0.02 -0.75 -2.05 135.00 132.37 3kcr n PRO 83 Ca -0.10 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3kcr n PRO 83 Cb 0.52 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 3kcr n PRO 83 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3kcr n ILE 84 N -1.61 0.00 -4.57 4.25 3.06 -1.26 -4.00 119.36 115.22 3kcr n ILE 84 Ca 0.09 0.00 -0.25 0.00 -2.50 0.00 0.00 62.75 60.09 3kcr n ILE 84 Cb 0.47 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.60 3kcr n ILE 84 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3kcr n GLY 85 N 0.00 3.68 0.00 4.50 0.00 -1.26 -1.73 105.19 110.39 3kcr n GLY 85 Ca 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 46.02 43.70 3kcr n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcr n LYS 87 N 0.00 0.00 0.00 0.00 5.02 -0.25 -1.89 118.16 121.05 3kcr n LYS 87 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kcr n LYS 87 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 3kcr n LYS 87 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3kcr n VAL 88 N 0.00 0.00 -3.99 -0.18 0.31 -1.24 -4.07 118.33 109.17 3kcr n VAL 88 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 3kcr n VAL 88 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 3kcr n VAL 88 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3kcr s THR 89 N -1.94 2.61 -0.03 2.52 2.01 -1.26 -1.66 115.64 117.90 3kcr s THR 89 Ca 0.00 -1.45 -0.21 0.00 0.31 0.00 0.00 61.69 60.34 3kcr s THR 89 Cb 0.00 -2.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.97 3kcr s THR 89 CO 0.00 -0.03 0.61 -0.76 -0.69 0.00 0.00 174.62 173.75 3kcr s LEU 90 N 1.20 4.37 -0.09 4.42 1.02 -0.21 -4.91 118.68 124.48 3kcr s LEU 90 Ca -0.06 1.14 -0.04 0.00 0.02 0.00 0.00 54.13 55.18 3kcr s LEU 90 Cb -0.19 -2.95 0.04 0.00 0.02 0.00 0.00 46.19 43.11 3kcr s LEU 90 CO -0.03 0.03 0.21 -0.13 0.02 0.00 0.00 176.35 176.45 3kcr s ARG 91 N 0.17 0.16 0.00 1.70 3.00 -1.26 -0.36 118.95 122.36 3kcr s ARG 91 Ca 0.32 0.49 0.00 0.00 0.00 0.00 0.00 55.73 56.54 3kcr s ARG 91 Cb -0.18 -0.14 0.00 0.00 0.00 0.00 0.00 34.95 34.63 3kcr s ARG 91 CO 0.17 -0.17 0.00 0.41 0.00 0.00 0.00 175.30 175.70 3kcr n GLY 92 N 4.31 -0.20 0.34 -3.53 0.00 -1.26 -4.76 105.19 100.09 3kcr n GLY 92 Ca -0.24 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 43.72 3kcr n GLY 92 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kcr h GLU 93 N 0.00 -0.54 0.00 1.61 4.39 -2.00 -2.08 114.58 115.96 3kcr h GLU 93 Ca 0.00 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 3kcr h GLU 93 Cb 0.00 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3kcr h GLU 93 CO 0.00 -0.36 -0.10 0.00 -1.16 0.00 0.00 179.01 177.39 3kcr h ARG 94 N -0.56 0.00 0.00 2.33 2.47 -1.96 0.17 114.38 116.82 3kcr h ARG 94 Ca 0.02 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.66 3kcr h ARG 94 Cb 0.58 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 3kcr h ARG 94 CO -0.17 0.10 -0.39 1.98 0.56 0.00 0.00 179.97 182.05 3kcr h MET 95 N 0.00 0.00 0.00 0.04 1.85 -1.69 0.22 114.93 115.35 3kcr h MET 95 Ca -0.00 0.00 -0.26 0.00 -0.61 0.00 0.00 59.70 58.82 3kcr h MET 95 Cb 0.46 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.44 3kcr h MET 95 CO 0.01 0.39 -2.08 0.91 -0.40 0.00 0.00 176.91 175.74 3kcr n TRP 96 N -3.86 0.29 0.12 1.39 8.01 -0.53 -2.70 117.44 120.16 3kcr n TRP 96 Ca -0.01 0.10 0.03 0.00 -1.31 0.00 0.00 57.50 56.30 3kcr n TRP 96 Cb 0.45 -0.95 0.40 0.00 -2.01 0.00 0.00 31.31 29.19 3kcr n TRP 96 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.69 178.17 3kcr h GLU 97 N 0.00 0.24 -0.01 -0.99 4.81 -0.62 -3.28 114.58 114.72 3kcr h GLU 97 Ca -0.36 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 58.62 3kcr h GLU 97 Cb 1.90 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.24 3kcr h GLU 97 CO 0.03 0.36 -0.85 0.35 -0.73 0.00 0.00 179.01 178.17 3kcr h PHE 98 N 0.23 0.38 -0.04 0.92 3.04 -0.73 -1.75 116.94 118.99 3kcr h PHE 98 Ca 0.05 -0.20 -0.00 0.00 3.98 0.00 0.00 57.97 61.79 3kcr h PHE 98 Cb 0.34 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.80 3kcr h PHE 98 CO 0.01 0.99 0.00 1.19 -2.02 0.00 0.00 178.31 178.48 3kcr n PHE 99 N -3.71 0.14 0.00 0.41 3.72 -1.23 -2.59 117.46 114.19 3kcr n PHE 99 Ca -0.04 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3kcr n PHE 99 Cb 0.78 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 3kcr n PHE 99 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3kcr n GLU 100 N 0.08 0.85 -0.02 -1.08 1.02 -0.82 -3.86 120.64 116.80 3kcr n GLU 100 Ca 0.02 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.11 3kcr n GLU 100 Cb 0.34 -0.61 0.16 0.00 -0.02 0.00 0.00 31.44 31.31 3kcr n GLU 100 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kcr h ARG 101 N 0.00 0.59 0.00 3.49 3.08 -1.14 -3.44 114.38 116.96 3kcr h ARG 101 Ca 0.00 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 3kcr h ARG 101 Cb 0.22 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3kcr h ARG 101 CO 0.00 0.79 0.14 1.47 -1.07 0.00 0.00 179.97 181.30 3kcr n LEU 102 N -4.11 0.00 0.00 3.04 -0.00 -1.07 -4.72 117.00 110.14 3kcr n LEU 102 Ca -0.00 -1.05 0.00 0.00 -0.00 0.00 0.00 56.01 54.96 3kcr n LEU 102 Cb 0.42 1.59 0.00 0.00 -0.00 0.00 0.00 43.42 45.43 3kcr n LEU 102 CO 0.43 -0.35 0.00 -0.38 -0.00 0.00 0.00 177.39 177.09 3kcr n ILE 103 N -0.24 0.00 -0.35 1.47 -0.00 -1.26 -4.01 119.36 114.96 3kcr n ILE 103 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.72 3kcr n ILE 103 Cb 0.26 0.00 0.14 0.00 -0.00 0.00 0.00 39.64 40.03 3kcr n ILE 103 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.55 177.26 3kcr h THR 104 N 0.00 1.14 0.00 1.39 1.35 -1.59 -2.68 112.91 112.52 3kcr h THR 104 Ca 0.00 -0.40 -0.01 0.00 -0.55 0.00 0.00 66.41 65.44 3kcr h THR 104 Cb 0.00 -0.14 -0.03 0.00 -1.73 0.00 0.00 68.15 66.25 3kcr h THR 104 CO 0.00 0.21 -0.31 2.30 -0.25 0.00 0.00 175.52 177.48 3kcr n ILE 105 N -4.50 1.17 -0.02 6.82 -5.35 -1.26 -4.33 119.36 111.89 3kcr n ILE 105 Ca 0.13 -1.56 -0.21 0.00 -0.27 0.00 0.00 62.75 60.84 3kcr n ILE 105 Cb 0.12 0.10 -0.13 0.00 -1.74 0.00 0.00 39.64 37.98 3kcr n ILE 105 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kcr h ALA 106 N 0.20 0.17 -0.01 -1.28 0.00 -1.78 -3.39 119.26 113.17 3kcr h ALA 106 Ca -0.02 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.86 3kcr h ALA 106 Cb 1.20 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3kcr h ALA 106 CO 0.01 0.71 -0.58 1.33 0.00 0.00 0.00 179.25 180.71 3kcr n VAL 107 N -4.08 0.00 0.65 0.00 0.24 -1.02 -0.92 118.33 113.20 3kcr n VAL 107 Ca -0.24 -0.13 0.13 0.00 -2.04 0.00 0.00 64.34 62.06 3kcr n VAL 107 Cb 0.82 0.89 0.41 0.00 -1.47 0.00 0.00 33.84 34.48 3kcr n VAL 107 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3kcr n PRO 108 N -0.74 0.24 -0.80 7.34 -0.02 -1.26 -3.93 135.00 135.83 3kcr n PRO 108 Ca 0.08 0.19 0.05 0.00 -2.02 0.00 0.00 63.50 61.80 3kcr n PRO 108 Cb 0.39 -1.78 0.17 0.00 -0.02 0.00 0.00 33.50 32.26 3kcr n PRO 108 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kcr n ARG 109 N -2.20 1.31 -3.29 -0.52 5.12 -1.03 -3.88 116.66 112.16 3kcr n ARG 109 Ca 0.06 -3.06 -0.21 0.00 -1.93 0.00 0.00 57.85 52.70 3kcr n ARG 109 Cb 0.42 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.42 3kcr n ARG 109 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 3kcr s ILE 110 N -2.62 4.09 -1.22 0.55 -4.36 -0.09 -4.04 121.20 113.50 3kcr s ILE 110 Ca 0.37 -0.79 0.27 0.00 -0.26 0.00 0.00 60.65 60.24 3kcr s ILE 110 Cb 0.37 -3.46 0.20 0.00 1.25 0.00 0.00 42.46 40.82 3kcr s ILE 110 CO -0.09 -0.24 1.67 -2.11 0.24 0.00 0.00 174.94 174.41 3kcr n ARG 111 N -1.81 0.24 -3.61 0.37 1.85 -1.20 -4.84 116.66 107.66 3kcr n ARG 111 Ca 0.00 -0.10 -0.14 0.00 -1.00 0.00 0.00 57.85 56.61 3kcr n ARG 111 Cb 0.58 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.43 3kcr n ARG 111 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3kcr s ASP 112 N -2.83 -0.39 0.04 2.89 1.11 -1.26 -5.10 116.67 111.13 3kcr s ASP 112 Ca 0.17 0.13 0.00 0.00 0.18 0.00 0.00 52.55 53.03 3kcr s ASP 112 Cb 0.19 0.47 0.00 0.00 1.07 0.00 0.00 42.92 44.64 3kcr s ASP 112 CO 0.59 -0.69 0.00 0.33 1.18 0.00 0.00 175.17 176.58 3kcr n PHE 113 N 0.48 -1.60 0.26 4.23 -0.00 -1.26 -4.98 117.46 114.59 3kcr n PHE 113 Ca -0.18 0.96 0.03 0.00 -0.00 0.00 0.00 57.45 58.25 3kcr n PHE 113 Cb 0.60 -2.58 0.02 0.00 -0.00 0.00 0.00 39.48 37.52 3kcr n PHE 113 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3kcr n ARG 114 N 0.61 0.52 -0.47 -4.13 5.12 -1.26 -4.86 116.66 112.18 3kcr n ARG 114 Ca 0.00 -0.76 -0.06 0.00 -1.93 0.00 0.00 57.85 55.10 3kcr n ARG 114 Cb 0.00 -1.07 0.04 0.00 -1.16 0.00 0.00 32.46 30.26 3kcr n ARG 114 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kcr n GLY 115 N 0.44 -0.88 3.63 -0.13 0.00 -1.26 -4.58 105.19 102.41 3kcr n GLY 115 Ca 0.03 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 3kcr n GLY 115 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kcr s LEU 116 N 0.00 3.26 0.03 0.99 2.96 -1.26 -4.88 118.68 119.78 3kcr s LEU 116 Ca 0.14 -0.24 0.08 0.00 -0.22 0.00 0.00 54.13 53.90 3kcr s LEU 116 Cb -0.00 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 3kcr s LEU 116 CO 0.10 0.20 -0.24 -0.44 -1.32 0.00 0.00 176.35 174.65 3kcr s SER 117 N -2.08 3.30 -0.00 3.68 0.01 -1.26 -5.01 113.70 112.34 3kcr s SER 117 Ca 0.22 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.97 3kcr s SER 117 Cb -0.11 -0.38 0.01 0.00 0.21 0.00 0.00 66.02 65.74 3kcr s SER 117 CO 0.14 0.28 0.47 0.00 0.41 0.00 0.00 173.24 174.54 3kcr n ALA 118 N 1.91 -1.88 -3.10 1.44 0.00 -1.26 -4.89 120.51 112.73 3kcr n ALA 118 Ca -0.17 -0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 3kcr n ALA 118 Cb 0.52 -0.48 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 3kcr n ALA 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3kcr s LYS 119 N 0.00 0.89 0.00 0.00 -2.85 -1.26 -4.82 119.74 111.70 3kcr s LYS 119 Ca 0.00 -0.43 0.00 0.00 -1.00 0.00 0.00 55.97 54.54 3kcr s LYS 119 Cb 0.01 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 3kcr s LYS 119 CO -0.00 -0.30 0.00 0.43 0.10 0.00 0.00 175.35 175.57 3kcr n SER 120 N 0.48 -1.59 -4.68 0.03 7.64 -1.26 -5.02 113.62 109.22 3kcr n SER 120 Ca -0.18 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.36 3kcr n SER 120 Cb 0.60 -0.26 0.12 0.00 -1.01 0.00 0.00 64.21 63.66 3kcr n SER 120 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3kcr n PHE 121 N -2.53 1.24 -0.32 1.43 3.72 -1.26 -4.16 117.46 115.59 3kcr n PHE 121 Ca 0.00 0.40 -0.05 0.00 -0.05 0.00 0.00 57.45 57.76 3kcr n PHE 121 Cb 0.00 -2.11 0.08 0.00 -0.94 0.00 0.00 39.48 36.51 3kcr n PHE 121 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3kcr h ASP 122 N -0.78 1.10 0.00 4.37 3.32 -1.89 -3.45 116.42 119.09 3kcr h ASP 122 Ca -0.47 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.46 3kcr h ASP 122 Cb 1.30 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3kcr h ASP 122 CO 0.46 0.92 0.00 0.61 -1.72 0.00 0.00 179.24 179.51 3kcr n GLY 123 N -1.04 0.73 1.07 2.75 0.00 -1.26 -4.85 105.19 102.59 3kcr n GLY 123 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 3kcr n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcr n ARG 124 N -1.99 2.43 -0.80 1.61 3.00 -1.26 -4.20 116.66 115.45 3kcr n ARG 124 Ca 0.00 -2.13 0.00 0.00 -0.01 0.00 0.00 57.85 55.71 3kcr n ARG 124 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 30.96 3kcr n ARG 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kcr n GLY 125 N 1.45 0.79 0.16 -0.13 0.00 -1.26 -4.71 105.19 101.50 3kcr n GLY 125 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 3kcr n GLY 125 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kcr h ASN 126 N 0.00 0.50 -4.08 1.61 2.35 -1.84 -3.41 115.58 110.71 3kcr h ASN 126 Ca 0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 3kcr h ASN 126 Cb 0.00 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.23 3kcr h ASN 126 CO 0.00 0.82 -0.62 0.00 -1.65 0.00 0.00 177.43 175.98 3kcr n TYR 127 N -4.49 -3.07 -4.36 1.19 9.36 -1.26 -1.62 117.16 112.91 3kcr n TYR 127 Ca -0.05 1.83 -0.29 0.00 3.32 0.00 0.00 57.90 62.71 3kcr n TYR 127 Cb 0.36 -3.17 -0.12 0.00 -0.63 0.00 0.00 39.34 35.78 3kcr n TYR 127 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 3kcr s SER 128 N -0.38 3.61 -0.18 2.98 0.01 -1.26 -2.93 113.70 115.56 3kcr s SER 128 Ca 0.00 -0.64 -0.30 0.00 1.31 0.00 0.00 55.95 56.32 3kcr s SER 128 Cb 0.00 -0.39 0.14 0.00 0.21 0.00 0.00 66.02 65.98 3kcr s SER 128 CO 0.00 0.18 1.09 0.00 0.41 0.00 0.00 173.24 174.92 3kcr s MET 129 N -2.07 0.46 1.07 12.44 0.23 -1.12 -4.27 119.30 126.04 3kcr s MET 129 Ca 0.16 0.08 -0.12 0.00 -1.03 0.00 0.00 55.69 54.77 3kcr s MET 129 Cb -0.10 0.22 0.23 0.00 -1.53 0.00 0.00 34.83 33.64 3kcr s MET 129 CO 0.08 -0.15 1.07 0.20 -2.03 0.00 0.00 175.02 174.18 3kcr s GLY 130 N -1.21 1.56 0.17 3.16 0.00 -1.26 -1.75 107.32 107.99 3kcr s GLY 130 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.50 3kcr s GLY 130 CO -0.01 0.41 0.00 -0.62 0.00 0.00 0.00 173.10 172.88 3kcr n VAL 131 N -4.49 0.00 -4.44 1.40 0.31 0.11 -4.62 118.33 106.60 3kcr n VAL 131 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3kcr n VAL 131 Cb 0.56 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 3kcr n VAL 131 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kcr n ARG 132 N -3.02 0.00 -2.36 5.55 1.74 -1.01 -4.84 116.66 112.72 3kcr n ARG 132 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 3kcr n ARG 132 Cb 0.00 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 31.59 3kcr n ARG 132 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3kcr n GLU 133 N 0.47 -0.47 -1.85 5.56 0.00 -1.20 -3.60 120.64 119.54 3kcr n GLU 133 Ca 0.00 -2.52 -0.41 0.00 0.00 0.00 0.00 57.16 54.24 3kcr n GLU 133 Cb 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 31.44 30.56 3kcr n GLU 133 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 3kcr s GLN 134 N -5.35 4.15 -0.34 3.44 0.74 -0.83 -4.95 119.66 116.52 3kcr s GLN 134 Ca 0.69 2.52 0.16 0.00 0.05 0.00 0.00 55.36 58.77 3kcr s GLN 134 Cb -0.03 -2.99 0.43 0.00 1.10 0.00 0.00 33.01 31.52 3kcr s GLN 134 CO 0.47 -0.49 0.99 0.44 -0.55 0.00 0.00 175.29 176.15 3kcr n ILE 135 N 0.66 0.68 -0.89 -2.34 -5.35 -1.26 -4.91 119.36 105.95 3kcr n ILE 135 Ca 0.01 -2.94 0.00 0.00 -0.27 0.00 0.00 62.75 59.55 3kcr n ILE 135 Cb 0.39 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 38.93 3kcr n ILE 135 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 3kcr n ILE 136 N -0.10 -1.78 -3.76 7.28 2.08 -1.26 -3.23 119.36 118.59 3kcr n ILE 136 Ca 0.09 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.30 3kcr n ILE 136 Cb 0.80 -2.25 -0.06 0.00 -0.75 0.00 0.00 39.64 37.38 3kcr n ILE 136 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 3kcr s PHE 137 N 0.00 -0.03 -1.35 1.39 0.08 -1.26 -4.08 117.98 112.73 3kcr s PHE 137 Ca 0.00 -0.28 0.04 0.00 0.12 0.00 0.00 56.93 56.81 3kcr s PHE 137 Cb 0.00 0.09 0.19 0.00 -0.57 0.00 0.00 43.02 42.72 3kcr s PHE 137 CO 0.00 -0.58 0.98 -2.30 -0.10 0.00 0.00 175.22 173.22 3kcr n PRO 138 N 0.06 0.04 -1.71 0.24 -0.02 -1.26 -4.65 135.00 127.71 3kcr n PRO 138 Ca -0.16 0.28 -0.40 0.00 -2.02 0.00 0.00 63.50 61.20 3kcr n PRO 138 Cb 0.62 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.63 3kcr n PRO 138 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kcr n GLU 139 N -1.33 1.73 -1.09 -0.52 1.02 -1.26 -4.96 120.64 114.24 3kcr n GLU 139 Ca 0.02 0.63 -0.34 0.00 -0.02 0.00 0.00 57.16 57.44 3kcr n GLU 139 Cb 0.03 -2.43 0.11 0.00 -0.02 0.00 0.00 31.44 29.13 3kcr n GLU 139 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3kcr n ILE 140 N -0.69 1.50 -0.91 -3.67 -5.35 -1.26 -4.85 119.36 104.13 3kcr n ILE 140 Ca 0.09 -0.27 0.03 0.00 -0.27 0.00 0.00 62.75 62.33 3kcr n ILE 140 Cb 0.42 -0.91 -0.02 0.00 -1.74 0.00 0.00 39.64 37.39 3kcr n ILE 140 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3kcr n ASP 141 N -1.79 -4.92 0.00 7.28 10.43 -1.26 -3.71 116.55 122.58 3kcr n ASP 141 Ca 0.11 1.04 0.00 0.00 2.57 0.00 0.00 54.79 58.51 3kcr n ASP 141 Cb 0.51 -2.73 0.00 0.00 1.84 0.00 0.00 41.12 40.74 3kcr n ASP 141 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3kcr n TYR 142 N -2.56 0.00 -0.74 1.24 4.02 -1.26 -3.41 117.16 114.44 3kcr n TYR 142 Ca -0.02 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.94 3kcr n TYR 142 Cb 0.33 0.09 0.16 0.00 -0.02 0.00 0.00 39.34 39.89 3kcr n TYR 142 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3kcr n ASP 143 N 0.00 2.89 0.00 7.72 8.00 -1.26 -4.70 116.55 129.20 3kcr n ASP 143 Ca 0.00 -2.74 0.00 0.00 0.71 0.00 0.00 54.79 52.76 3kcr n ASP 143 Cb 0.30 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 3kcr n ASP 143 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3kcr n LYS 144 N -0.70 0.00 0.00 -1.24 2.85 -1.26 -5.19 118.16 112.62 3kcr n LYS 144 Ca 0.15 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 3kcr n LYS 144 Cb 0.63 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.01 3kcr n LYS 144 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 3kcr n VAL 145 N 0.00 0.00 -3.63 0.58 0.24 -1.22 -4.38 118.33 109.92 3kcr n VAL 145 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.90 3kcr n VAL 145 Cb 0.21 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.48 3kcr n VAL 145 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3kcr s ASP 146 N -3.61 5.59 0.29 -1.34 -0.00 -1.24 -4.59 116.67 111.77 3kcr s ASP 146 Ca 0.00 -1.38 0.02 0.00 -0.00 0.00 0.00 52.55 51.20 3kcr s ASP 146 Cb 0.00 -1.97 -0.05 0.00 -0.00 0.00 0.00 42.92 40.90 3kcr s ASP 146 CO 0.00 -0.48 0.11 0.00 -0.00 0.00 0.00 175.17 174.80 3kcr s ARG 147 N 1.44 1.53 -1.16 8.23 3.03 -1.26 -1.97 118.95 128.79 3kcr s ARG 147 Ca 0.02 -1.85 -0.12 0.00 2.03 0.00 0.00 55.73 55.80 3kcr s ARG 147 Cb -0.22 -0.32 -0.02 0.00 -1.03 0.00 0.00 34.95 33.36 3kcr s ARG 147 CO 0.03 -0.34 0.80 1.33 -1.13 0.00 0.00 175.30 175.99 3kcr n VAL 148 N -0.56 -6.36 -3.89 4.99 0.24 -1.26 -4.48 118.33 107.00 3kcr n VAL 148 Ca -0.00 -0.96 -0.08 0.00 -2.04 0.00 0.00 64.34 61.26 3kcr n VAL 148 Cb 0.66 -4.75 -0.03 0.00 -1.47 0.00 0.00 33.84 28.25 3kcr n VAL 148 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kcr s ARG 149 N -5.59 1.66 0.00 7.34 1.70 -1.26 -4.43 118.95 118.38 3kcr s ARG 149 Ca 0.36 -1.06 0.00 0.00 -0.47 0.00 0.00 55.73 54.56 3kcr s ARG 149 Cb -0.10 0.55 0.00 0.00 -0.57 0.00 0.00 34.95 34.83 3kcr s ARG 149 CO 0.82 -0.73 0.00 0.41 -1.08 0.00 0.00 175.30 174.72 3kcr n GLY 150 N -0.42 0.90 3.27 3.88 0.00 -0.27 -3.26 105.19 109.29 3kcr n GLY 150 Ca -0.04 0.50 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 3kcr n GLY 150 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3kcr s LEU 151 N 0.00 1.25 0.31 0.99 2.34 -1.24 -1.00 118.68 121.33 3kcr s LEU 151 Ca 0.00 -0.95 0.07 0.00 0.06 0.00 0.00 54.13 53.30 3kcr s LEU 151 Cb 0.00 0.91 -0.02 0.00 -0.56 0.00 0.00 46.19 46.52 3kcr s LEU 151 CO 0.00 -0.83 0.36 1.51 -1.06 0.00 0.00 176.35 176.33 3kcr s ASP 152 N -2.98 5.76 -0.20 1.48 1.47 -1.26 0.08 116.67 121.02 3kcr s ASP 152 Ca 0.18 -0.25 0.01 0.00 1.18 0.00 0.00 52.55 53.68 3kcr s ASP 152 Cb 0.05 -1.28 0.03 0.00 -0.34 0.00 0.00 42.92 41.38 3kcr s ASP 152 CO -0.00 -0.30 -0.15 -0.63 0.68 0.00 0.00 175.17 174.77 3kcr s ILE 153 N -2.18 1.89 0.13 2.11 1.01 -0.71 -4.08 121.20 119.37 3kcr s ILE 153 Ca 0.40 -1.05 0.05 0.00 0.00 0.00 0.00 60.65 60.06 3kcr s ILE 153 Cb -0.08 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 3kcr s ILE 153 CO 0.29 0.31 0.05 -0.89 0.00 0.00 0.00 174.94 174.70 3kcr s THR 154 N 1.31 4.16 -0.11 2.92 2.01 -1.22 -2.78 115.64 121.93 3kcr s THR 154 Ca 0.01 -1.09 -0.13 0.00 0.31 0.00 0.00 61.69 60.79 3kcr s THR 154 Cb -0.15 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 3kcr s THR 154 CO -0.10 0.00 -0.25 -0.38 -0.69 0.00 0.00 174.62 173.20 3kcr n ILE 155 N 0.12 1.42 -3.33 1.82 2.08 -0.64 -2.92 119.36 117.91 3kcr n ILE 155 Ca -0.09 0.20 -0.18 0.00 0.56 0.00 0.00 62.75 63.24 3kcr n ILE 155 Cb 0.53 -2.13 0.07 0.00 -0.75 0.00 0.00 39.64 37.37 3kcr n ILE 155 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 3kcr n THR 156 N -4.18 -3.64 -2.45 1.39 -1.04 -1.08 -0.01 114.28 103.26 3kcr n THR 156 Ca -0.11 -0.19 -0.24 0.00 -2.04 0.00 0.00 64.05 61.48 3kcr n THR 156 Cb 0.39 -4.05 0.08 0.00 -1.82 0.00 0.00 70.33 64.93 3kcr n THR 156 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3kcr s THR 157 N -3.28 2.36 0.20 12.58 -1.32 -1.05 -4.30 115.64 120.81 3kcr s THR 157 Ca 0.28 -0.49 -0.32 0.00 -1.21 0.00 0.00 61.69 59.95 3kcr s THR 157 Cb -0.12 -2.87 -0.11 0.00 -1.51 0.00 0.00 72.50 67.89 3kcr s THR 157 CO 0.61 0.00 1.63 -0.89 -2.21 0.00 0.00 174.62 173.76 3kcr s THR 158 N -3.08 2.34 0.00 5.08 2.01 -1.26 -4.64 115.64 116.08 3kcr s THR 158 Ca 0.62 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.86 3kcr s THR 158 Cb -0.09 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.27 3kcr s THR 158 CO 0.43 0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.38 3kcr n ALA 159 N 3.73 0.00 -0.10 7.40 0.00 -1.26 -4.65 120.51 125.63 3kcr n ALA 159 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 3kcr n ALA 159 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 3kcr n ALA 159 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kcr h LYS 160 N 0.00 0.47 -6.20 0.00 1.57 -1.90 -3.37 116.57 107.15 3kcr h LYS 160 Ca 0.00 -0.09 -0.51 0.00 -1.87 0.00 0.00 60.65 58.18 3kcr h LYS 160 Cb 0.00 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.18 3kcr h LYS 160 CO 0.00 0.48 -0.53 -1.12 -0.57 0.00 0.00 179.45 177.71 3kcr s SER 161 N -5.75 5.51 0.00 0.86 0.01 -1.26 -4.77 113.70 108.29 3kcr s SER 161 Ca -0.13 -0.24 0.30 0.00 1.31 0.00 0.00 55.95 57.19 3kcr s SER 161 Cb 0.09 -1.40 1.47 0.00 0.21 0.00 0.00 66.02 66.38 3kcr s SER 161 CO 0.73 -0.02 1.99 -0.90 0.41 0.00 0.00 173.24 175.46 3kcr n ASP 162 N -1.06 0.36 0.01 2.44 3.85 -1.26 -1.41 116.55 119.48 3kcr n ASP 162 Ca -0.08 -0.73 0.11 0.00 -0.71 0.00 0.00 54.79 53.38 3kcr n ASP 162 Cb 0.57 -0.08 -0.05 0.00 -1.35 0.00 0.00 41.12 40.21 3kcr n ASP 162 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 3kcr n GLU 163 N -0.90 0.26 0.00 0.11 4.07 -1.26 -1.45 120.64 121.47 3kcr n GLU 163 Ca 0.18 -0.04 0.11 0.00 -0.06 0.00 0.00 57.16 57.35 3kcr n GLU 163 Cb 0.23 -1.55 0.11 0.00 -0.06 0.00 0.00 31.44 30.18 3kcr n GLU 163 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3kcr n GLU 164 N -1.86 0.52 0.05 5.31 1.02 -1.10 -1.69 120.64 122.89 3kcr n GLU 164 Ca 0.02 -0.38 0.13 0.00 -0.02 0.00 0.00 57.16 56.90 3kcr n GLU 164 Cb 0.43 -1.49 0.39 0.00 -0.02 0.00 0.00 31.44 30.75 3kcr n GLU 164 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kcr n GLY 165 N 1.44 -1.53 0.00 0.62 0.00 -0.50 -3.59 105.19 101.63 3kcr n GLY 165 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3kcr n GLY 165 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kcr n ARG 166 N -1.92 1.03 0.13 1.61 1.85 -0.53 -4.27 116.66 114.55 3kcr n ARG 166 Ca 0.05 -0.82 0.13 0.00 -1.00 0.00 0.00 57.85 56.21 3kcr n ARG 166 Cb 0.40 -0.72 0.39 0.00 -1.05 0.00 0.00 32.46 31.48 3kcr n ARG 166 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kcr h ALA 167 N 0.00 1.00 -4.35 2.89 0.00 -1.40 -3.40 119.26 114.01 3kcr h ALA 167 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 3kcr h ALA 167 Cb 0.70 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.19 3kcr h ALA 167 CO 0.00 0.00 -0.84 -0.48 0.00 0.00 0.00 179.25 177.93 3kcr s LEU 168 N -4.77 2.03 -1.68 0.00 2.34 -1.24 -4.92 118.68 110.44 3kcr s LEU 168 Ca 0.09 -0.34 0.00 0.00 0.06 0.00 0.00 54.13 53.95 3kcr s LEU 168 Cb 0.11 -0.96 0.00 0.00 -0.56 0.00 0.00 46.19 44.78 3kcr s LEU 168 CO 0.58 0.23 0.00 0.18 -1.06 0.00 0.00 176.35 176.28 3kcr n LEU 169 N 2.64 -1.08 -0.32 1.48 4.77 -1.26 -4.76 117.00 118.46 3kcr n LEU 169 Ca -0.15 0.39 0.06 0.00 -0.03 0.00 0.00 56.01 56.29 3kcr n LEU 169 Cb 0.54 -2.44 0.01 0.00 -2.33 0.00 0.00 43.42 39.20 3kcr n LEU 169 CO 0.24 -0.90 0.27 0.00 -1.33 0.00 0.00 177.39 175.66 3kcr n ALA 170 N 1.29 2.92 -1.80 -1.18 0.00 -1.26 -3.78 120.51 116.70 3kcr n ALA 170 Ca -0.16 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.78 3kcr n ALA 170 Cb 0.56 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3kcr n ALA 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcr n ALA 171 N -0.06 0.82 -0.95 0.00 0.00 -1.26 -4.59 120.51 114.46 3kcr n ALA 171 Ca 0.06 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.46 3kcr n ALA 171 Cb 0.28 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.80 3kcr n ALA 171 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kcr n PHE 172 N 0.00 0.00 -1.71 0.00 3.01 -1.26 -4.48 117.46 113.02 3kcr n PHE 172 Ca 0.00 -0.61 0.00 0.00 1.01 0.00 0.00 57.45 57.85 3kcr n PHE 172 Cb 0.45 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 3kcr n PHE 172 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3kcr n ASP 173 N -0.82 0.00 -4.01 4.37 2.03 -1.25 -4.57 116.55 112.30 3kcr n ASP 173 Ca 0.08 -0.86 -0.31 0.00 0.52 0.00 0.00 54.79 54.21 3kcr n ASP 173 Cb 0.54 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.79 3kcr n ASP 173 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3kcr s PHE 174 N 0.00 3.25 -0.18 -0.67 0.08 -1.26 -2.44 117.98 116.76 3kcr s PHE 174 Ca 0.00 -2.49 0.01 0.00 0.12 0.00 0.00 56.93 54.57 3kcr s PHE 174 Cb 0.00 -2.28 -0.22 0.00 -0.57 0.00 0.00 43.02 39.95 3kcr s PHE 174 CO 0.00 -0.89 0.10 -2.30 -0.10 0.00 0.00 175.22 172.03 3kcr n PRO 175 N 4.42 0.70 -1.39 0.24 -0.02 -1.26 -4.48 135.00 133.20 3kcr n PRO 175 Ca -0.05 0.19 0.17 0.00 -2.02 0.00 0.00 63.50 61.78 3kcr n PRO 175 Cb 0.42 -1.62 -0.08 0.00 -0.02 0.00 0.00 33.50 32.21 3kcr n PRO 175 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kcr n PHE 176 N -3.28 -3.55 -3.50 6.00 3.72 -1.26 -4.81 117.46 110.78 3kcr n PHE 176 Ca -0.37 1.91 -0.35 0.00 -0.05 0.00 0.00 57.45 58.60 3kcr n PHE 176 Cb 1.03 -3.23 -0.06 0.00 -0.94 0.00 0.00 39.48 36.29 3kcr n PHE 176 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3kcr s ARG 177 N -3.81 3.83 0.00 -1.08 6.06 -1.25 -4.55 118.95 118.15 3kcr s ARG 177 Ca 0.00 0.28 0.08 0.00 -2.50 0.00 0.00 55.73 53.58 3kcr s ARG 177 Cb 0.00 -2.95 0.06 0.00 0.06 0.00 0.00 34.95 32.12 3kcr s ARG 177 CO 0.00 0.52 0.74 1.63 -2.50 0.00 0.00 175.30 175.69