#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr s GLU 2 N 0.00 1.24 1.00 0.03 2.02 -1.26 -4.02 118.70 117.72 3kcr s GLU 2 Ca 0.00 -0.96 -0.15 0.00 0.02 0.00 0.00 54.97 53.87 3kcr s GLU 2 Cb 0.00 -1.37 0.20 0.00 0.10 0.00 0.00 34.13 33.06 3kcr s GLU 2 CO 0.00 0.34 1.20 -0.51 0.02 0.00 0.00 175.26 176.31 3kcr s LEU 3 N -1.35 1.94 -0.29 1.80 1.43 -1.26 -4.84 118.68 116.10 3kcr s LEU 3 Ca 0.06 0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 53.72 3kcr s LEU 3 Cb -0.09 -2.68 0.02 0.00 0.03 0.00 0.00 46.19 43.47 3kcr s LEU 3 CO 0.02 -3.01 0.05 -0.69 0.23 0.00 0.00 176.35 172.96 3kcr s VAL 4 N -3.44 3.67 0.60 -1.59 1.01 -1.26 -0.45 120.40 118.93 3kcr s VAL 4 Ca 0.69 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 3kcr s VAL 4 Cb -0.09 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3kcr s VAL 4 CO 0.54 0.04 1.33 -0.11 0.00 0.00 0.00 175.10 176.90 3kcr n LEU 5 N 4.80 5.80 0.00 3.92 7.94 0.39 -4.53 117.00 135.32 3kcr n LEU 5 Ca -0.14 0.90 0.00 0.00 -1.11 0.00 0.00 56.01 55.66 3kcr n LEU 5 Cb 0.47 -1.57 0.00 0.00 0.53 0.00 0.00 43.42 42.85 3kcr n LEU 5 CO 0.30 -0.78 0.00 2.29 -1.11 0.00 0.00 177.39 178.09 3kcr n LYS 6 N -1.46 0.00 -0.23 1.96 2.85 -1.25 -4.27 118.16 115.76 3kcr n LYS 6 Ca 0.13 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.51 3kcr n LYS 6 Cb 0.46 0.00 0.24 0.00 -0.65 0.00 0.00 35.03 35.08 3kcr n LYS 6 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3kcr n ASP 7 N -3.20 3.56 -4.06 -5.58 8.00 -1.26 -3.56 116.55 110.45 3kcr n ASP 7 Ca 0.00 -1.99 -0.10 0.00 0.71 0.00 0.00 54.79 53.41 3kcr n ASP 7 Cb 0.00 -0.31 -0.08 0.00 -0.02 0.00 0.00 41.12 40.72 3kcr n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kcr s ALA 8 N -1.34 0.38 0.27 2.24 0.00 -1.26 -5.08 121.76 116.97 3kcr s ALA 8 Ca 0.40 -1.19 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 3kcr s ALA 8 Cb 0.23 1.05 -0.11 0.00 0.00 0.00 0.00 23.12 24.29 3kcr s ALA 8 CO 0.31 -0.66 1.62 -0.65 0.00 0.00 0.00 175.76 176.39 3kcr s GLN 9 N -4.04 4.12 0.00 0.00 1.11 -1.26 -4.63 119.66 114.96 3kcr s GLN 9 Ca 0.25 2.58 0.00 0.00 0.01 0.00 0.00 55.36 58.20 3kcr s GLN 9 Cb 0.04 -3.04 0.00 0.00 -1.01 0.00 0.00 33.01 29.00 3kcr s GLN 9 CO 0.06 -0.66 0.00 -1.13 0.01 0.00 0.00 175.29 173.57 3kcr n SER 10 N 2.65 0.00 -4.70 5.90 3.41 -1.26 -5.01 113.62 114.61 3kcr n SER 10 Ca 0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.29 3kcr n SER 10 Cb 0.37 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 3kcr n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kcr s ALA 11 N 0.00 3.72 0.13 7.33 0.00 -1.26 -0.47 121.76 131.21 3kcr s ALA 11 Ca 0.00 1.27 -0.16 0.00 0.00 0.00 0.00 51.96 53.07 3kcr s ALA 11 Cb 0.00 -3.67 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 3kcr s ALA 11 CO 0.00 -0.98 1.65 1.25 0.00 0.00 0.00 175.76 177.67 3kcr h LEU 12 N 7.92 0.56 -2.48 0.00 5.85 -1.04 -3.42 115.31 122.69 3kcr h LEU 12 Ca -0.43 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.09 3kcr h LEU 12 Cb 1.20 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3kcr h LEU 12 CO 0.92 0.62 -0.29 0.41 -0.34 0.00 0.00 178.44 179.76 3kcr n THR 13 N -4.61 -4.80 -3.97 1.05 -1.04 -1.25 -4.92 114.28 94.74 3kcr n THR 13 Ca -0.01 0.61 -0.09 0.00 -2.04 0.00 0.00 64.05 62.53 3kcr n THR 13 Cb 0.18 -3.95 -0.04 0.00 -1.82 0.00 0.00 70.33 64.69 3kcr n THR 13 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3kcr s VAL 14 N -0.13 0.00 0.11 12.58 -7.23 -1.26 -4.91 120.40 119.56 3kcr s VAL 14 Ca -0.04 -1.31 -0.17 0.00 -1.81 0.00 0.00 61.98 58.65 3kcr s VAL 14 Cb 0.00 -2.17 -0.10 0.00 0.56 0.00 0.00 36.38 34.67 3kcr s VAL 14 CO 0.10 0.00 0.32 -1.20 -0.31 0.00 0.00 175.10 174.02 3kcr n SER 15 N -0.43 -0.69 0.00 4.85 7.64 -1.26 -4.40 113.62 119.32 3kcr n SER 15 Ca -0.02 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.52 3kcr n SER 15 Cb 0.61 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 3kcr n SER 15 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3kcr n GLU 16 N 0.60 2.38 0.00 1.43 1.02 -1.26 -4.44 120.64 120.37 3kcr n GLU 16 Ca 0.11 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.36 3kcr n GLU 16 Cb 0.14 -0.81 0.12 0.00 -0.02 0.00 0.00 31.44 30.87 3kcr n GLU 16 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3kcr n THR 17 N -1.13 0.00 -0.18 2.62 -2.24 -1.26 -2.40 114.28 109.69 3kcr n THR 17 Ca 0.00 -0.32 -0.06 0.00 -2.27 0.00 0.00 64.05 61.40 3kcr n THR 17 Cb 0.13 1.17 0.11 0.00 -2.10 0.00 0.00 70.33 69.63 3kcr n THR 17 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3kcr h THR 18 N 3.00 1.25 -0.47 4.28 1.35 -1.87 0.14 112.91 120.59 3kcr h THR 18 Ca 0.00 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 3kcr h THR 18 Cb 0.78 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 3kcr h THR 18 CO 0.00 0.36 0.00 0.49 -0.25 0.00 0.00 175.52 176.12 3kcr n PHE 19 N -4.22 1.41 -0.48 4.73 3.72 -1.10 -1.78 117.46 119.73 3kcr n PHE 19 Ca 0.04 -0.72 0.00 0.00 -0.05 0.00 0.00 57.45 56.72 3kcr n PHE 19 Cb 0.28 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 3kcr n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kcr n GLY 20 N 0.39 -0.22 3.77 1.37 0.00 -1.11 -4.27 105.19 105.12 3kcr n GLY 20 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 3kcr n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kcr s ARG 21 N -0.10 3.60 0.47 1.61 6.06 0.02 -4.97 118.95 125.65 3kcr s ARG 21 Ca 0.00 1.89 0.04 0.00 -2.50 0.00 0.00 55.73 55.16 3kcr s ARG 21 Cb 0.00 -2.37 -0.03 0.00 0.06 0.00 0.00 34.95 32.61 3kcr s ARG 21 CO 0.00 -0.71 0.07 -0.51 -2.50 0.00 0.00 175.30 171.65 3kcr s ASP 22 N -1.25 4.15 0.45 -2.12 1.11 -1.26 -4.65 116.67 113.10 3kcr s ASP 22 Ca 0.65 -1.46 0.04 0.00 0.18 0.00 0.00 52.55 51.96 3kcr s ASP 22 Cb -0.32 0.14 -0.04 0.00 1.07 0.00 0.00 42.92 43.77 3kcr s ASP 22 CO 0.38 -0.73 0.02 -0.36 1.18 0.00 0.00 175.17 175.66 3kcr s PHE 23 N -2.79 2.12 0.40 4.23 2.99 -1.26 -4.68 117.98 118.99 3kcr s PHE 23 Ca 0.21 -0.87 -0.15 0.00 0.00 0.00 0.00 56.93 56.12 3kcr s PHE 23 Cb 0.04 -1.61 0.06 0.00 0.00 0.00 0.00 43.02 41.50 3kcr s PHE 23 CO 0.11 0.25 0.79 1.21 -0.00 0.00 0.00 175.22 177.58 3kcr s ASN 24 N -3.76 0.07 0.15 1.36 2.47 -1.26 -4.92 114.94 109.06 3kcr s ASN 24 Ca 0.21 -1.22 -0.17 0.00 0.42 0.00 0.00 52.86 52.11 3kcr s ASN 24 Cb 0.06 0.86 0.03 0.00 -1.45 0.00 0.00 41.25 40.74 3kcr s ASN 24 CO 0.11 -1.72 1.78 -0.33 -3.72 0.00 0.00 177.10 173.22 3kcr h GLU 25 N 2.00 0.37 0.00 0.43 5.08 -2.03 -3.05 114.58 117.38 3kcr h GLU 25 Ca -0.33 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3kcr h GLU 25 Cb 1.25 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3kcr h GLU 25 CO 0.42 0.24 -0.00 0.00 -1.00 0.00 0.00 179.01 178.67 3kcr n ALA 26 N -2.25 1.93 -0.07 3.43 0.00 -1.26 -4.83 120.51 117.46 3kcr n ALA 26 Ca 0.00 -1.04 -0.11 0.00 0.00 0.00 0.00 53.44 52.30 3kcr n ALA 26 Cb 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 3kcr n ALA 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3kcr h LEU 27 N 0.00 0.34 -2.01 0.00 5.85 -1.88 0.38 115.31 117.98 3kcr h LEU 27 Ca 0.00 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3kcr h LEU 27 Cb 0.57 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3kcr h LEU 27 CO 0.00 0.45 0.00 1.33 -0.34 0.00 0.00 178.44 179.88 3kcr n VAL 28 N -4.77 0.70 -0.55 1.05 0.24 -1.26 -2.80 118.33 110.94 3kcr n VAL 28 Ca -0.03 -0.72 0.01 0.00 -2.04 0.00 0.00 64.34 61.55 3kcr n VAL 28 Cb 0.15 0.40 0.01 0.00 -1.47 0.00 0.00 33.84 32.94 3kcr n VAL 28 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3kcr n HIS 29 N 1.10 0.00 0.01 6.34 -0.00 -1.12 -4.68 115.22 116.87 3kcr n HIS 29 Ca 0.18 -0.35 -0.12 0.00 0.46 0.00 0.00 57.72 57.89 3kcr n HIS 29 Cb 0.47 -0.04 -0.14 0.00 -0.12 0.00 0.00 29.99 30.16 3kcr n HIS 29 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 3kcr h GLN 30 N 0.00 0.08 -0.02 1.57 5.75 -0.75 -3.36 115.11 118.38 3kcr h GLN 30 Ca 0.00 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 3kcr h GLN 30 Cb 0.77 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.37 3kcr h GLN 30 CO 0.00 0.78 -0.19 1.33 -2.65 0.00 0.00 178.83 178.09 3kcr n VAL 31 N -3.22 0.00 0.02 2.39 0.24 -1.26 -4.03 118.33 112.47 3kcr n VAL 31 Ca -0.17 -0.40 -0.14 0.00 -2.04 0.00 0.00 64.34 61.59 3kcr n VAL 31 Cb 1.03 1.33 -0.14 0.00 -1.47 0.00 0.00 33.84 34.59 3kcr n VAL 31 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 3kcr h VAL 32 N 3.07 1.01 0.00 3.34 -1.51 -1.84 -3.05 116.25 117.28 3kcr h VAL 32 Ca 0.00 -2.74 -0.08 0.00 -1.23 0.00 0.00 66.70 62.64 3kcr h VAL 32 Cb 0.75 2.61 -0.01 0.00 -2.13 0.00 0.00 31.29 32.51 3kcr h VAL 32 CO 0.00 0.74 -0.40 -0.37 -1.23 0.00 0.00 177.57 176.31 3kcr h VAL 33 N 0.04 1.12 -0.00 7.19 -1.51 -1.73 -1.65 116.25 119.70 3kcr h VAL 33 Ca -0.27 -1.43 0.00 0.00 -1.23 0.00 0.00 66.70 63.77 3kcr h VAL 33 Cb 2.00 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.97 3kcr h VAL 33 CO 0.12 0.39 -0.45 0.00 -1.23 0.00 0.00 177.57 176.39 3kcr n ALA 34 N -2.39 3.45 -0.07 5.19 0.00 -1.21 -3.46 120.51 122.01 3kcr n ALA 34 Ca -0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 53.44 53.04 3kcr n ALA 34 Cb 0.46 -1.13 -0.16 0.00 0.00 0.00 0.00 19.45 18.62 3kcr n ALA 34 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kcr n TYR 35 N -1.38 0.06 0.33 0.00 4.19 -1.03 -3.96 117.16 115.37 3kcr n TYR 35 Ca 0.07 0.02 0.13 0.00 3.31 0.00 0.00 57.90 61.43 3kcr n TYR 35 Cb 0.34 -0.88 0.37 0.00 0.49 0.00 0.00 39.34 39.66 3kcr n TYR 35 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3kcr h ALA 36 N 1.28 1.00 -0.17 2.98 0.00 -1.34 -2.73 119.26 120.28 3kcr h ALA 36 Ca -0.38 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.30 3kcr h ALA 36 Cb 1.89 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.69 3kcr h ALA 36 CO 0.02 0.00 -0.76 0.00 0.00 0.00 0.00 179.25 178.52 3kcr h ALA 37 N 2.13 0.32 0.00 0.00 0.00 -1.76 -2.95 119.26 117.00 3kcr h ALA 37 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3kcr h ALA 37 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3kcr h ALA 37 CO 0.00 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.34 3kcr n GLY 38 N 0.67 -1.00 1.34 0.00 0.00 -0.36 -2.41 105.19 103.42 3kcr n GLY 38 Ca -0.07 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.86 3kcr n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcr n ALA 39 N -1.10 3.04 -3.70 4.61 0.00 -1.11 -4.85 120.51 117.40 3kcr n ALA 39 Ca 0.19 -1.26 -0.24 0.00 0.00 0.00 0.00 53.44 52.13 3kcr n ALA 39 Cb 0.14 -1.03 -0.17 0.00 0.00 0.00 0.00 19.45 18.39 3kcr n ALA 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kcr s ARG 40 N -1.85 1.33 -0.34 0.00 3.52 -1.01 -5.08 118.95 115.52 3kcr s ARG 40 Ca 0.40 -0.23 0.01 0.00 -0.13 0.00 0.00 55.73 55.78 3kcr s ARG 40 Cb 0.26 -1.31 0.08 0.00 -1.56 0.00 0.00 34.95 32.43 3kcr s ARG 40 CO 0.18 -0.15 0.06 -1.14 -0.81 0.00 0.00 175.30 173.44 3kcr s GLN 41 N 1.27 1.97 0.00 5.12 0.74 -1.23 -3.96 119.66 123.58 3kcr s GLN 41 Ca -0.04 -1.63 0.26 0.00 0.05 0.00 0.00 55.36 53.99 3kcr s GLN 41 Cb -0.14 -3.26 1.54 0.00 1.10 0.00 0.00 33.01 32.26 3kcr s GLN 41 CO -0.03 -0.84 1.94 0.41 -0.55 0.00 0.00 175.29 176.22 3kcr n GLY 42 N 4.46 -0.91 3.76 2.59 0.00 -0.94 -4.91 105.19 109.25 3kcr n GLY 42 Ca -0.05 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3kcr n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kcr s THR 43 N -2.00 2.01 0.00 2.61 -4.23 -1.26 -4.47 115.64 108.30 3kcr s THR 43 Ca 0.39 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 3kcr s THR 43 Cb 0.18 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 71.01 3kcr s THR 43 CO 0.30 0.00 0.00 -2.11 -0.54 0.00 0.00 174.62 172.27 3kcr n ARG 44 N 1.63 0.00 0.00 3.99 1.85 -1.26 -5.12 116.66 117.75 3kcr n ARG 44 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.91 3kcr n ARG 44 Cb 0.38 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.79 3kcr n ARG 44 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kcr n ALA 45 N -3.00 0.00 -3.54 2.89 0.00 -1.26 -5.19 120.51 110.40 3kcr n ALA 45 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3kcr n ALA 45 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3kcr n ALA 45 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3kcr s GLN 46 N 0.00 1.05 -0.19 0.00 -0.21 -1.26 -5.20 119.66 113.84 3kcr s GLN 46 Ca 0.00 -0.44 -0.17 0.00 0.02 0.00 0.00 55.36 54.77 3kcr s GLN 46 Cb 0.00 0.45 0.05 0.00 1.00 0.00 0.00 33.01 34.51 3kcr s GLN 46 CO 0.00 -0.46 0.51 0.15 -2.12 0.00 0.00 175.29 173.37 3kcr s LYS 47 N -3.35 0.59 0.00 2.91 1.02 -1.26 -5.01 119.74 114.64 3kcr s LYS 47 Ca 0.05 0.73 0.00 0.00 0.02 0.00 0.00 55.97 56.78 3kcr s LYS 47 Cb -0.01 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.57 3kcr s LYS 47 CO -0.07 -0.08 0.00 0.25 -0.92 0.00 0.00 175.35 174.53 3kcr n THR 48 N 2.93 0.00 -0.21 2.17 -2.24 -1.23 -4.03 114.28 111.67 3kcr n THR 48 Ca -0.14 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.72 3kcr n THR 48 Cb 0.56 -0.40 0.22 0.00 -2.10 0.00 0.00 70.33 68.61 3kcr n THR 48 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3kcr n ARG 49 N 0.00 2.74 -0.52 -0.78 -4.01 0.39 0.12 116.66 114.59 3kcr n ARG 49 Ca 0.00 -2.26 0.00 0.00 -1.04 0.00 0.00 57.85 54.55 3kcr n ARG 49 Cb 0.00 -1.39 -0.00 0.00 -3.04 0.00 0.00 32.46 28.03 3kcr n ARG 49 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3kcr n ALA 50 N 0.98 2.02 -0.48 2.89 0.00 -1.26 -4.76 120.51 119.90 3kcr n ALA 50 Ca 0.17 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3kcr n ALA 50 Cb 0.50 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.62 3kcr n ALA 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kcr n GLU 51 N 0.01 0.30 -3.55 0.00 4.71 -1.25 -4.51 120.64 116.35 3kcr n GLU 51 Ca -0.00 -0.03 -0.38 0.00 -0.01 0.00 0.00 57.16 56.74 3kcr n GLU 51 Cb 0.64 -0.32 -0.10 0.00 -1.01 0.00 0.00 31.44 30.65 3kcr n GLU 51 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3kcr s VAL 52 N -0.05 5.29 -0.05 2.62 1.01 0.12 -3.76 120.40 125.57 3kcr s VAL 52 Ca 0.00 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.30 3kcr s VAL 52 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.82 3kcr s VAL 52 CO 0.00 0.25 -0.14 -0.89 0.00 0.00 0.00 175.10 174.32 3kcr s THR 53 N 1.63 1.23 0.00 3.92 2.01 -1.26 -3.86 115.64 119.31 3kcr s THR 53 Ca 0.09 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.52 3kcr s THR 53 Cb -0.15 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.27 3kcr s THR 53 CO 0.09 0.37 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 3kcr n GLY 54 N 3.45 0.05 4.00 4.40 0.00 -1.26 -5.09 105.19 110.74 3kcr n GLY 54 Ca -0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 3kcr n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kcr s SER 55 N 0.00 5.35 0.00 1.61 0.01 -1.26 -4.95 113.70 114.46 3kcr s SER 55 Ca 0.00 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.95 3kcr s SER 55 Cb 0.00 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.65 3kcr s SER 55 CO 0.00 -1.05 0.00 0.61 0.41 0.00 0.00 173.24 173.21 3kcr n GLY 56 N -2.15 0.39 2.91 3.44 0.00 -1.26 -5.06 105.19 103.45 3kcr n GLY 56 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 3kcr n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcr s LYS 57 N 0.00 0.75 0.36 1.61 1.02 -1.26 -5.13 119.74 117.09 3kcr s LYS 57 Ca 0.00 -0.12 -0.17 0.00 0.02 0.00 0.00 55.97 55.70 3kcr s LYS 57 Cb 0.00 -0.75 0.05 0.00 -0.52 0.00 0.00 37.83 36.60 3kcr s LYS 57 CO 0.00 -0.04 0.78 0.15 -0.92 0.00 0.00 175.35 175.32 3kcr s LYS 58 N 0.71 2.15 -0.11 1.68 1.02 -1.26 -4.91 119.74 119.02 3kcr s LYS 58 Ca -0.09 -1.35 -0.06 0.00 0.02 0.00 0.00 55.97 54.48 3kcr s LYS 58 Cb -0.12 0.62 -0.04 0.00 -0.52 0.00 0.00 37.83 37.77 3kcr s LYS 58 CO 0.00 -1.00 0.13 -1.25 -0.92 0.00 0.00 175.35 172.31 3kcr s PRO 59 N -2.63 3.40 0.00 -1.68 0.04 -1.21 -4.99 135.00 127.93 3kcr s PRO 59 Ca 0.15 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.02 3kcr s PRO 59 Cb -0.05 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.34 3kcr s PRO 59 CO 0.11 0.77 0.00 0.91 0.04 0.00 0.00 177.00 178.82 3kcr n TRP 60 N 1.94 0.00 -1.16 0.56 7.02 -1.21 -2.96 117.44 121.63 3kcr n TRP 60 Ca -0.19 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.29 3kcr n TRP 60 Cb 0.55 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.44 3kcr n TRP 60 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 3kcr n ARG 61 N 0.00 -1.43 0.03 -0.99 3.00 -1.25 -4.64 116.66 111.37 3kcr n ARG 61 Ca 0.00 1.40 0.11 0.00 -0.01 0.00 0.00 57.85 59.35 3kcr n ARG 61 Cb 0.00 -1.40 -0.08 0.00 0.00 0.00 0.00 32.46 30.97 3kcr n ARG 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 3kcr n GLN 62 N 0.50 0.54 -3.66 5.56 6.02 -1.26 -4.28 117.38 120.79 3kcr n GLN 62 Ca 0.00 -0.06 -0.12 0.00 -0.01 0.00 0.00 57.00 56.81 3kcr n GLN 62 Cb 0.00 -1.62 -0.06 0.00 1.02 0.00 0.00 30.24 29.58 3kcr n GLN 62 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3kcr s LYS 63 N -3.39 0.94 0.00 -1.09 2.36 -1.26 -4.79 119.74 112.51 3kcr s LYS 63 Ca -0.03 -0.43 0.00 0.00 -2.55 0.00 0.00 55.97 52.96 3kcr s LYS 63 Cb 0.13 0.42 0.00 0.00 -1.05 0.00 0.00 37.83 37.33 3kcr s LYS 63 CO 0.85 -0.33 0.00 0.41 1.55 0.00 0.00 175.35 177.83 3kcr n GLY 64 N 0.38 1.99 3.66 5.54 0.00 -1.26 -4.91 105.19 110.58 3kcr n GLY 64 Ca -0.18 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 3kcr n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kcr s THR 65 N -0.10 4.15 -0.36 2.61 -4.23 -1.26 -4.91 115.64 111.54 3kcr s THR 65 Ca 0.00 1.38 0.05 0.00 -1.18 0.00 0.00 61.69 61.94 3kcr s THR 65 Cb 0.00 -3.92 0.46 0.00 1.34 0.00 0.00 72.50 70.38 3kcr s THR 65 CO 0.00 -0.15 1.49 0.61 -0.54 0.00 0.00 174.62 176.02 3kcr n GLY 66 N 3.77 3.20 3.27 3.99 0.00 -1.26 -4.85 105.19 113.30 3kcr n GLY 66 Ca 0.15 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 3kcr n GLY 66 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kcr s ARG 67 N -2.10 1.10 0.02 1.61 1.70 -1.26 -5.11 118.95 114.91 3kcr s ARG 67 Ca 0.36 -1.43 -0.26 0.00 -0.47 0.00 0.00 55.73 53.92 3kcr s ARG 67 Cb 0.29 -0.78 -0.13 0.00 -0.57 0.00 0.00 34.95 33.76 3kcr s ARG 67 CO 0.08 0.12 0.69 0.00 -1.08 0.00 0.00 175.30 175.11 3kcr n ALA 68 N -0.08 -2.62 -0.12 7.88 0.00 -1.26 -4.88 120.51 119.44 3kcr n ALA 68 Ca -0.11 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.72 3kcr n ALA 68 Cb 0.60 -1.19 0.25 0.00 0.00 0.00 0.00 19.45 19.10 3kcr n ALA 68 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3kcr h ARG 69 N 1.89 0.79 0.00 0.00 0.11 -1.86 -3.47 114.38 111.83 3kcr h ARG 69 Ca -0.33 -0.12 0.22 0.00 0.10 0.00 0.00 59.98 59.85 3kcr h ARG 69 Cb 0.98 -0.14 -0.06 0.00 1.11 0.00 0.00 29.97 31.87 3kcr h ARG 69 CO 0.44 0.65 -0.29 0.43 0.10 0.00 0.00 179.97 181.30 3kcr n SER 70 N -4.33 -7.04 0.09 0.08 7.64 -1.26 -3.34 113.62 105.46 3kcr n SER 70 Ca 0.04 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.80 3kcr n SER 70 Cb 0.17 -2.46 0.00 0.00 -1.01 0.00 0.00 64.21 60.90 3kcr n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kcr n GLY 71 N -2.43 -0.77 3.35 0.23 0.00 -1.16 -4.64 105.19 99.77 3kcr n GLY 71 Ca 0.01 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3kcr n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kcr s SER 72 N -3.23 3.20 0.31 1.61 0.01 -1.26 -3.34 113.70 110.99 3kcr s SER 72 Ca 0.00 -0.60 0.21 0.00 1.31 0.00 0.00 55.95 56.87 3kcr s SER 72 Cb 0.00 -0.30 0.15 0.00 0.21 0.00 0.00 66.02 66.08 3kcr s SER 72 CO 0.00 0.25 1.34 -0.29 0.41 0.00 0.00 173.24 174.96 3kcr h ILE 73 N 4.19 0.20 -0.43 1.44 2.10 -1.91 -3.01 117.51 120.11 3kcr h ILE 73 Ca -0.47 -1.32 0.00 0.00 1.08 0.00 0.00 64.86 64.16 3kcr h ILE 73 Cb 1.14 1.94 0.00 0.00 -1.09 0.00 0.00 36.82 38.81 3kcr h ILE 73 CO 0.43 0.12 0.00 2.29 -1.08 0.00 0.00 178.15 179.91 3kcr n LYS 74 N -2.98 2.48 -1.72 2.19 2.85 -1.26 -4.08 118.16 115.64 3kcr n LYS 74 Ca 0.01 -1.74 -0.39 0.00 -1.05 0.00 0.00 58.31 55.15 3kcr n LYS 74 Cb 0.60 -1.55 0.04 0.00 -0.65 0.00 0.00 35.03 33.48 3kcr n LYS 74 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3kcr n SER 75 N 0.70 2.34 0.09 -5.58 7.64 -1.14 -4.42 113.62 113.26 3kcr n SER 75 Ca 0.16 0.95 0.12 0.00 1.01 0.00 0.00 58.87 61.11 3kcr n SER 75 Cb 0.53 -1.54 0.12 0.00 -1.01 0.00 0.00 64.21 62.31 3kcr n SER 75 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3kcr h PRO 76 N 1.27 0.00 0.00 1.43 0.13 -1.81 -2.16 132.00 130.86 3kcr h PRO 76 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3kcr h PRO 76 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3kcr h PRO 76 CO 0.56 0.00 -0.64 -0.84 -0.23 0.00 0.00 178.00 176.85 3kcr h ILE 77 N 0.00 0.00 -4.03 -3.56 3.07 -1.89 -3.30 117.51 107.79 3kcr h ILE 77 Ca 0.00 -0.66 -0.52 0.00 1.55 0.00 0.00 64.86 65.22 3kcr h ILE 77 Cb 0.84 1.28 0.10 0.00 -0.27 0.00 0.00 36.82 38.76 3kcr h ILE 77 CO 0.00 0.00 0.53 0.86 -1.05 0.00 0.00 178.15 178.49 3kcr s TRP 78 N -3.22 2.60 0.50 0.16 -0.11 -0.81 -4.91 118.94 113.15 3kcr s TRP 78 Ca 0.05 1.48 0.19 0.00 1.22 0.00 0.00 56.10 59.04 3kcr s TRP 78 Cb 0.12 -3.54 1.25 0.00 -1.50 0.00 0.00 33.47 29.80 3kcr s TRP 78 CO 0.73 -2.09 2.04 -0.09 -4.62 0.00 0.00 176.95 172.92 3kcr h ARG 79 N 1.67 0.12 -6.20 5.86 2.43 -1.82 -3.39 114.38 113.04 3kcr h ARG 79 Ca -0.50 -0.01 -0.52 0.00 -0.81 0.00 0.00 59.98 58.14 3kcr h ARG 79 Cb 1.27 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.74 3kcr h ARG 79 CO 0.58 0.08 -0.55 -1.54 -1.51 0.00 0.00 179.97 177.03 3kcr s SER 80 N -6.48 5.35 -1.41 -3.80 1.04 -1.26 -4.58 113.70 102.56 3kcr s SER 80 Ca -0.06 -0.31 -0.00 0.00 0.48 0.00 0.00 55.95 56.06 3kcr s SER 80 Cb 0.19 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 65.00 3kcr s SER 80 CO 0.72 -0.02 0.05 0.61 0.98 0.00 0.00 173.24 175.58 3kcr n GLY 81 N -1.02 -0.32 3.27 7.32 0.00 -1.26 -4.08 105.19 109.10 3kcr n GLY 81 Ca -0.08 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 3kcr n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLY 82 N -1.05 -2.83 0.42 -0.02 0.00 -1.26 -3.32 105.19 97.13 3kcr n GLY 82 Ca -0.19 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3kcr n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kcr n VAL 83 N -5.08 -2.11 0.00 1.61 0.31 -1.24 -3.42 118.33 108.39 3kcr n VAL 83 Ca 0.06 0.62 0.00 0.00 -0.01 0.00 0.00 64.34 65.01 3kcr n VAL 83 Cb 0.55 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 3kcr n VAL 83 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3kcr n THR 84 N -0.58 0.00 -1.40 2.52 -1.04 -1.26 -0.46 114.28 112.05 3kcr n THR 84 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 3kcr n THR 84 Cb 0.00 -0.48 0.10 0.00 -1.82 0.00 0.00 70.33 68.13 3kcr n THR 84 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3kcr s PHE 85 N -0.07 1.98 0.35 -1.42 0.08 -1.26 -4.58 117.98 113.06 3kcr s PHE 85 Ca 0.00 1.60 -0.07 0.00 0.12 0.00 0.00 56.93 58.58 3kcr s PHE 85 Cb 0.00 -3.52 -0.05 0.00 -0.57 0.00 0.00 43.02 38.87 3kcr s PHE 85 CO 0.00 -2.76 0.66 0.00 -0.10 0.00 0.00 175.22 173.03 3kcr s ALA 86 N -1.91 3.49 -0.00 5.36 0.00 -1.26 -4.95 121.76 122.49 3kcr s ALA 86 Ca 0.76 -0.42 -0.24 0.00 0.00 0.00 0.00 51.96 52.06 3kcr s ALA 86 Cb -0.31 -2.48 0.05 0.00 0.00 0.00 0.00 23.12 20.38 3kcr s ALA 86 CO 0.46 0.08 0.53 0.00 0.00 0.00 0.00 175.76 176.82 3kcr s ALA 87 N -2.26 -1.35 -0.02 0.00 0.00 -1.26 -5.19 121.76 111.68 3kcr s ALA 87 Ca 0.47 0.79 -0.04 0.00 0.00 0.00 0.00 51.96 53.19 3kcr s ALA 87 Cb -0.10 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.18 3kcr s ALA 87 CO 0.32 -0.39 0.09 1.03 0.00 0.00 0.00 175.76 176.80 3kcr s ARG 88 N -1.71 0.23 0.08 0.00 0.52 -1.26 -5.12 118.95 111.69 3kcr s ARG 88 Ca -0.09 -0.11 -0.35 0.00 -0.52 0.00 0.00 55.73 54.65 3kcr s ARG 88 Cb -0.01 0.10 -0.15 0.00 0.52 0.00 0.00 34.95 35.40 3kcr s ARG 88 CO 0.04 -0.04 1.52 -2.30 0.02 0.00 0.00 175.30 174.54 3kcr n PRO 89 N 2.44 1.67 -2.69 3.54 -0.02 -1.26 -4.91 135.00 133.76 3kcr n PRO 89 Ca -0.17 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 3kcr n PRO 89 Cb 0.58 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 3kcr n PRO 89 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3kcr s GLN 90 N 1.18 3.46 -0.17 -0.52 -0.21 -1.26 -4.76 119.66 117.38 3kcr s GLN 90 Ca 0.84 -1.09 -0.02 0.00 0.02 0.00 0.00 55.36 55.11 3kcr s GLN 90 Cb -0.82 -4.89 0.05 0.00 1.00 0.00 0.00 33.01 28.35 3kcr s GLN 90 CO 0.45 -2.03 -0.01 -0.51 -2.12 0.00 0.00 175.29 171.07 3kcr s ASP 91 N 4.24 2.77 0.03 5.90 1.01 -1.25 -2.22 116.67 127.15 3kcr s ASP 91 Ca 0.37 -0.69 -0.28 0.00 0.71 0.00 0.00 52.55 52.66 3kcr s ASP 91 Cb -0.05 -0.72 0.10 0.00 1.01 0.00 0.00 42.92 43.25 3kcr s ASP 91 CO -0.03 -0.24 0.99 -1.38 0.21 0.00 0.00 175.17 174.72 3kcr s HIS 92 N 1.76 -0.22 0.17 4.23 -3.43 -1.24 -5.01 115.29 111.56 3kcr s HIS 92 Ca 0.00 0.04 -0.24 0.00 -0.80 0.00 0.00 55.06 54.05 3kcr s HIS 92 Cb -0.16 0.57 0.06 0.00 -1.43 0.00 0.00 32.58 31.62 3kcr s HIS 92 CO -0.07 -0.57 0.88 -1.12 -2.00 0.00 0.00 174.74 171.85 3kcr s SER 93 N -2.66 -0.23 0.45 7.38 0.01 -1.26 -1.23 113.70 116.16 3kcr s SER 93 Ca 0.09 -0.41 0.03 0.00 1.31 0.00 0.00 55.95 56.97 3kcr s SER 93 Cb -0.00 0.55 0.01 0.00 0.21 0.00 0.00 66.02 66.78 3kcr s SER 93 CO -0.04 -1.00 0.64 -1.10 0.41 0.00 0.00 173.24 172.16 3kcr s GLN 94 N -3.45 2.93 0.00 12.44 -0.21 -1.25 -5.03 119.66 125.08 3kcr s GLN 94 Ca 0.11 -0.74 0.00 0.00 0.02 0.00 0.00 55.36 54.75 3kcr s GLN 94 Cb -0.03 -2.61 0.00 0.00 1.00 0.00 0.00 33.01 31.37 3kcr s GLN 94 CO 0.02 -0.31 0.02 1.17 -2.12 0.00 0.00 175.29 174.07 3kcr n LYS 95 N -2.03 0.00 -0.38 2.91 4.81 -1.26 -4.99 118.16 117.22 3kcr n LYS 95 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 3kcr n LYS 95 Cb 0.58 -0.20 0.00 0.00 0.02 0.00 0.00 35.03 35.44 3kcr n LYS 95 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3kcr n VAL 96 N -0.08 -2.03 -1.75 3.15 0.31 -1.26 -4.97 118.33 111.71 3kcr n VAL 96 Ca 0.00 0.57 -0.35 0.00 -0.01 0.00 0.00 64.34 64.55 3kcr n VAL 96 Cb 0.00 -0.90 0.06 0.00 -0.91 0.00 0.00 33.84 32.09 3kcr n VAL 96 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3kcr s ASN 97 N -2.17 4.77 0.10 4.52 0.01 -1.26 -4.91 114.94 116.01 3kcr s ASN 97 Ca 0.00 2.34 0.19 0.00 -0.71 0.00 0.00 52.86 54.68 3kcr s ASN 97 Cb 0.00 -2.59 0.79 0.00 0.41 0.00 0.00 41.25 39.86 3kcr s ASN 97 CO 0.00 -1.87 1.59 0.29 -1.51 0.00 0.00 177.10 175.60 3kcr n LYS 98 N -2.14 0.08 0.00 -0.60 5.02 -1.26 -1.77 118.16 117.50 3kcr n LYS 98 Ca 0.13 0.30 0.11 0.00 -2.02 0.00 0.00 58.31 56.84 3kcr n LYS 98 Cb 0.50 -1.65 0.13 0.00 -0.02 0.00 0.00 35.03 34.00 3kcr n LYS 98 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3kcr n LYS 99 N -1.80 0.01 -0.43 1.97 4.81 -1.26 -2.39 118.16 119.07 3kcr n LYS 99 Ca 0.03 -0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.55 3kcr n LYS 99 Cb 0.21 -1.50 0.26 0.00 0.02 0.00 0.00 35.03 34.02 3kcr n LYS 99 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3kcr n MET 100 N -1.49 3.22 -0.01 1.64 2.81 -0.73 -2.20 117.12 120.37 3kcr n MET 100 Ca 0.05 -2.62 0.01 0.00 -1.81 0.00 0.00 57.70 53.33 3kcr n MET 100 Cb 0.33 -1.69 0.01 0.00 -0.71 0.00 0.00 33.22 31.16 3kcr n MET 100 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3kcr n TYR 101 N 0.34 0.02 -2.45 2.03 0.53 -1.04 -3.70 117.16 112.89 3kcr n TYR 101 Ca 0.20 -0.10 -0.19 0.00 -1.02 0.00 0.00 57.90 56.79 3kcr n TYR 101 Cb 0.75 -0.01 0.02 0.00 -1.03 0.00 0.00 39.34 39.07 3kcr n TYR 101 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 3kcr n ARG 102 N 0.02 2.75 0.00 -0.72 1.74 -1.01 -3.84 116.66 115.60 3kcr n ARG 102 Ca 0.01 -4.01 0.00 0.00 -0.77 0.00 0.00 57.85 53.08 3kcr n ARG 102 Cb 0.10 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 3kcr n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kcr n GLY 103 N -0.47 0.00 0.00 -0.13 0.00 -0.93 -4.50 105.19 99.16 3kcr n GLY 103 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3kcr n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcr n ALA 104 N 0.00 2.28 0.30 4.61 0.00 -1.24 -4.40 120.51 122.05 3kcr n ALA 104 Ca 0.00 -0.30 0.03 0.00 0.00 0.00 0.00 53.44 53.18 3kcr n ALA 104 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3kcr n ALA 104 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kcr n LEU 105 N -0.40 0.30 0.21 0.00 4.77 -1.26 -4.31 117.00 116.31 3kcr n LEU 105 Ca 0.00 -0.48 0.06 0.00 -0.03 0.00 0.00 56.01 55.57 3kcr n LEU 105 Cb 0.00 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.54 3kcr n LEU 105 CO 0.00 0.08 0.78 0.50 -1.33 0.00 0.00 177.39 177.41 3kcr h LYS 106 N 0.00 0.00 -0.06 3.23 3.64 -1.43 -3.28 116.57 118.66 3kcr h LYS 106 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kcr h LYS 106 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3kcr h LYS 106 CO 0.00 0.30 0.00 0.43 -2.27 0.00 0.00 179.45 177.91 3kcr n SER 107 N -3.79 0.94 0.00 4.20 7.64 -1.26 -3.05 113.62 118.29 3kcr n SER 107 Ca -0.01 -1.48 0.00 0.00 1.01 0.00 0.00 58.87 58.39 3kcr n SER 107 Cb 0.39 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 3kcr n SER 107 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3kcr n ILE 108 N -0.21 0.00 0.12 0.44 2.08 -1.24 -3.38 119.36 117.18 3kcr n ILE 108 Ca 0.17 -0.09 -0.14 0.00 0.56 0.00 0.00 62.75 63.26 3kcr n ILE 108 Cb 0.23 0.58 -0.08 0.00 -0.75 0.00 0.00 39.64 39.62 3kcr n ILE 108 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 3kcr h LEU 109 N 0.00 -0.22 -2.63 1.39 3.38 -1.66 -1.89 115.31 113.69 3kcr h LEU 109 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3kcr h LEU 109 Cb 0.00 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3kcr h LEU 109 CO 0.00 -0.04 0.00 -0.24 0.09 0.00 0.00 178.44 178.25 3kcr n SER 110 N -5.14 3.06 0.00 -0.43 2.88 -0.74 -0.99 113.62 112.26 3kcr n SER 110 Ca -0.09 -1.75 0.00 0.00 -1.33 0.00 0.00 58.87 55.70 3kcr n SER 110 Cb 0.17 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 3kcr n SER 110 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3kcr n GLU 111 N 1.13 0.29 -0.06 -1.46 2.13 -0.98 -4.37 120.64 117.32 3kcr n GLU 111 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 3kcr n GLU 111 Cb 0.37 -0.77 -0.02 0.00 0.27 0.00 0.00 31.44 31.28 3kcr n GLU 111 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3kcr h LEU 112 N 0.00 0.00 0.16 4.31 3.38 -0.64 -0.60 115.31 121.92 3kcr h LEU 112 Ca 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3kcr h LEU 112 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3kcr h LEU 112 CO 0.00 0.65 -0.08 0.58 0.09 0.00 0.00 178.44 179.68 3kcr h VAL 113 N -1.00 0.96 0.00 1.22 2.07 -1.32 0.15 116.25 118.34 3kcr h VAL 113 Ca -0.01 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3kcr h VAL 113 Cb 0.27 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3kcr h VAL 113 CO -0.01 0.15 -0.04 -0.09 0.02 0.00 0.00 177.57 177.60 3kcr h ARG 114 N -0.53 0.00 -0.08 1.57 2.43 -1.65 0.28 114.38 116.39 3kcr h ARG 114 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3kcr h ARG 114 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3kcr h ARG 114 CO 0.04 0.04 0.00 1.04 -1.51 0.00 0.00 179.97 179.58 3kcr n GLN 115 N -3.81 1.86 -1.52 0.20 1.13 -0.23 -4.93 117.38 110.07 3kcr n GLN 115 Ca -0.03 -2.58 -0.14 0.00 -1.94 0.00 0.00 57.00 52.31 3kcr n GLN 115 Cb 0.13 -1.56 -0.05 0.00 0.11 0.00 0.00 30.24 28.86 3kcr n GLN 115 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3kcr n ASP 116 N -1.09 -4.67 -0.11 1.08 9.92 0.39 -4.77 116.55 117.29 3kcr n ASP 116 Ca 0.17 0.31 0.12 0.00 -0.53 0.00 0.00 54.79 54.85 3kcr n ASP 116 Cb 0.68 -3.48 0.19 0.00 -0.64 0.00 0.00 41.12 37.88 3kcr n ASP 116 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 3kcr n ARG 117 N -2.56 0.34 -2.69 -1.24 1.85 -0.28 -4.84 116.66 107.25 3kcr n ARG 117 Ca -0.15 -0.23 -0.43 0.00 -1.00 0.00 0.00 57.85 56.05 3kcr n ARG 117 Cb 0.49 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.38 3kcr n ARG 117 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3kcr s LEU 118 N -2.81 4.05 -0.21 2.89 2.96 -1.08 -4.34 118.68 120.13 3kcr s LEU 118 Ca 0.15 1.23 -0.02 0.00 -0.22 0.00 0.00 54.13 55.26 3kcr s LEU 118 Cb 0.18 -3.49 0.00 0.00 0.50 0.00 0.00 46.19 43.38 3kcr s LEU 118 CO 0.67 -0.71 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.27 3kcr s ILE 119 N 3.29 2.96 -0.17 6.68 -1.09 -1.25 -4.96 121.20 126.65 3kcr s ILE 119 Ca 0.43 -0.67 -0.28 0.00 -2.23 0.00 0.00 60.65 57.90 3kcr s ILE 119 Cb -0.14 -2.34 0.08 0.00 -1.58 0.00 0.00 42.46 38.47 3kcr s ILE 119 CO 0.09 0.43 0.73 0.54 -1.23 0.00 0.00 174.94 175.50 3kcr s VAL 120 N 1.41 0.00 -0.09 2.92 0.11 -1.25 -1.95 120.40 121.56 3kcr s VAL 120 Ca 0.05 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.06 3kcr s VAL 120 Cb -0.14 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.75 3kcr s VAL 120 CO -0.06 0.00 0.19 0.68 -3.33 0.00 0.00 175.10 172.58 3kcr s VAL 121 N -0.39 -0.11 -0.14 2.04 -7.23 0.44 -4.98 120.40 110.03 3kcr s VAL 121 Ca -0.05 0.20 -0.29 0.00 -1.81 0.00 0.00 61.98 60.03 3kcr s VAL 121 Cb -0.03 -0.31 -0.02 0.00 0.56 0.00 0.00 36.38 36.59 3kcr s VAL 121 CO 0.05 0.08 1.21 -1.61 -0.31 0.00 0.00 175.10 174.52 3kcr s GLU 122 N 1.47 4.27 0.00 4.82 2.02 -1.23 -4.16 118.70 125.89 3kcr s GLU 122 Ca -0.07 1.61 0.00 0.00 0.02 0.00 0.00 54.97 56.54 3kcr s GLU 122 Cb -0.11 -3.69 0.00 0.00 0.10 0.00 0.00 34.13 30.43 3kcr s GLU 122 CO -0.07 -0.61 0.00 1.63 0.02 0.00 0.00 175.26 176.23 3kcr n LYS 123 N 6.14 0.00 0.00 1.61 4.76 -1.05 -3.83 118.16 125.79 3kcr n LYS 123 Ca 0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 3kcr n LYS 123 Cb 0.45 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.64 3kcr n LYS 123 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3kcr n PHE 124 N 1.34 0.00 -3.78 2.13 7.35 -1.26 -4.96 117.46 118.28 3kcr n PHE 124 Ca 0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 3kcr n PHE 124 Cb 0.00 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 39.74 3kcr n PHE 124 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 3kcr s SER 125 N 0.00 -0.18 0.16 -2.13 0.01 -1.26 -4.85 113.70 105.45 3kcr s SER 125 Ca 0.00 0.14 0.09 0.00 1.31 0.00 0.00 55.95 57.49 3kcr s SER 125 Cb 0.00 0.36 -0.04 0.00 0.21 0.00 0.00 66.02 66.55 3kcr s SER 125 CO 0.00 -0.36 -0.14 0.54 0.41 0.00 0.00 173.24 173.69 3kcr s VAL 126 N -1.02 2.99 -1.20 3.43 0.11 -1.26 -5.03 120.40 118.42 3kcr s VAL 126 Ca -0.11 -1.63 0.12 0.00 -2.93 0.00 0.00 61.98 57.43 3kcr s VAL 126 Cb -0.05 -2.43 0.26 0.00 -1.53 0.00 0.00 36.38 32.63 3kcr s VAL 126 CO 0.03 -0.03 1.16 -0.62 -3.33 0.00 0.00 175.10 172.31 3kcr n GLU 127 N 0.35 2.17 -3.75 1.54 -0.58 -1.26 -4.59 120.64 114.53 3kcr n GLU 127 Ca -0.13 -1.83 -0.13 0.00 -0.42 0.00 0.00 57.16 54.65 3kcr n GLU 127 Cb 0.54 -1.28 -0.13 0.00 -0.57 0.00 0.00 31.44 30.00 3kcr n GLU 127 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kcr s ALA 128 N -1.01 -0.48 -0.80 0.62 0.00 -1.26 -5.01 121.76 113.81 3kcr s ALA 128 Ca 0.22 0.83 -0.08 0.00 0.00 0.00 0.00 51.96 52.93 3kcr s ALA 128 Cb 0.12 -0.52 0.21 0.00 0.00 0.00 0.00 23.12 22.93 3kcr s ALA 128 CO 0.17 -0.16 0.70 -1.25 0.00 0.00 0.00 175.76 175.21 3kcr s PRO 129 N 0.96 3.28 -0.07 0.00 0.04 -1.26 -4.70 135.00 133.26 3kcr s PRO 129 Ca -0.07 -2.70 -0.03 0.00 0.04 0.00 0.00 61.00 58.24 3kcr s PRO 129 Cb -0.08 -4.14 0.04 0.00 0.04 0.00 0.00 34.50 30.35 3kcr s PRO 129 CO -0.06 -1.24 0.15 0.21 0.04 0.00 0.00 177.00 176.10 3kcr s LYS 130 N -0.32 0.09 -0.06 4.56 2.20 -1.26 -4.67 119.74 120.30 3kcr s LYS 130 Ca 0.21 0.38 0.16 0.00 -0.36 0.00 0.00 55.97 56.35 3kcr s LYS 130 Cb -0.13 -0.18 0.56 0.00 -1.51 0.00 0.00 37.83 36.57 3kcr s LYS 130 CO -0.07 -0.17 1.45 2.41 -0.36 0.00 0.00 175.35 178.61 3kcr n THR 131 N 4.22 1.21 -0.95 3.43 -1.04 -1.26 -2.88 114.28 117.01 3kcr n THR 131 Ca -0.26 -0.88 0.05 0.00 -2.04 0.00 0.00 64.05 60.91 3kcr n THR 131 Cb 0.52 0.17 0.07 0.00 -1.82 0.00 0.00 70.33 69.27 3kcr n THR 131 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3kcr n LYS 132 N 1.00 1.38 0.00 -2.82 0.00 -1.26 -4.64 118.16 111.83 3kcr n LYS 132 Ca 0.20 -1.86 0.00 0.00 0.00 0.00 0.00 58.31 56.65 3kcr n LYS 132 Cb 0.65 -1.12 0.00 0.00 0.00 0.00 0.00 35.03 34.56 3kcr n LYS 132 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3kcr n LEU 133 N -0.83 0.82 0.21 3.14 7.94 -1.21 -4.72 117.00 122.35 3kcr n LEU 133 Ca 0.08 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.12 3kcr n LEU 133 Cb 0.54 0.00 0.46 0.00 0.53 0.00 0.00 43.42 44.95 3kcr n LEU 133 CO 0.00 0.14 0.90 -0.07 -1.11 0.00 0.00 177.39 177.25 3kcr h LEU 134 N 0.00 0.00 -1.22 -1.96 3.38 -1.80 -1.52 115.31 112.19 3kcr h LEU 134 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3kcr h LEU 134 Cb 0.69 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3kcr h LEU 134 CO 0.00 0.00 0.30 0.00 0.09 0.00 0.00 178.44 178.83 3kcr h ALA 135 N 2.12 1.40 -0.29 1.53 0.00 -1.84 -2.75 119.26 119.43 3kcr h ALA 135 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3kcr h ALA 135 Cb 0.67 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3kcr h ALA 135 CO 0.00 0.48 0.05 1.04 0.00 0.00 0.00 179.25 180.82 3kcr n GLN 136 N -4.37 2.54 -0.28 0.00 6.02 -0.57 -3.11 117.38 117.61 3kcr n GLN 136 Ca 0.05 -1.40 0.00 0.00 -0.01 0.00 0.00 57.00 55.65 3kcr n GLN 136 Cb 0.12 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 29.59 3kcr n GLN 136 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3kcr n LYS 137 N 0.19 0.00 0.00 -1.09 4.81 -1.04 -4.83 118.16 116.19 3kcr n LYS 137 Ca 0.15 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 3kcr n LYS 137 Cb 0.74 -0.02 0.00 0.00 0.02 0.00 0.00 35.03 35.77 3kcr n LYS 137 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3kcr n LEU 138 N 0.00 0.00 -0.22 3.14 7.94 -1.19 -4.78 117.00 121.90 3kcr n LEU 138 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 3kcr n LEU 138 Cb 0.50 0.19 0.13 0.00 0.53 0.00 0.00 43.42 44.78 3kcr n LEU 138 CO 0.00 -0.19 0.95 0.11 -1.11 0.00 0.00 177.39 177.15 3kcr h LYS 139 N 0.00 0.30 -0.01 1.96 1.79 -1.63 0.24 116.57 119.21 3kcr h LYS 139 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3kcr h LYS 139 Cb 0.00 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 3kcr h LYS 139 CO 0.00 0.20 0.01 -0.44 -1.08 0.00 0.00 179.45 178.14 3kcr h ASP 140 N 0.31 0.00 -0.45 0.86 3.45 -1.86 -1.07 116.42 117.66 3kcr h ASP 140 Ca 0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.81 3kcr h ASP 140 Cb 0.53 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 3kcr h ASP 140 CO -0.41 0.00 0.00 0.23 -1.57 0.00 0.00 179.24 177.49 3kcr n MET 141 N -4.39 2.15 -3.11 3.56 2.81 -0.06 -4.93 117.12 113.15 3kcr n MET 141 Ca -0.03 -1.77 -0.15 0.00 -1.81 0.00 0.00 57.70 53.94 3kcr n MET 141 Cb 0.10 -1.40 0.05 0.00 -0.71 0.00 0.00 33.22 31.25 3kcr n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kcr n ALA 142 N 0.95 -0.79 -3.86 3.04 0.00 -0.40 -4.97 120.51 114.48 3kcr n ALA 142 Ca 0.17 0.25 -0.29 0.00 0.00 0.00 0.00 53.44 53.56 3kcr n ALA 142 Cb 0.43 -3.51 -0.16 0.00 0.00 0.00 0.00 19.45 16.22 3kcr n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kcr s LEU 143 N -4.89 2.18 -0.06 0.00 1.43 -0.48 -4.97 118.68 111.89 3kcr s LEU 143 Ca 0.34 -1.15 -0.05 0.00 -1.03 0.00 0.00 54.13 52.24 3kcr s LEU 143 Cb -0.15 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.11 3kcr s LEU 143 CO 0.42 -0.28 0.16 -1.61 0.23 0.00 0.00 176.35 175.27 3kcr s GLU 144 N 1.54 0.17 -1.02 1.70 8.01 -1.26 -3.15 118.70 124.69 3kcr s GLU 144 Ca -0.02 0.27 -0.12 0.00 0.01 0.00 0.00 54.97 55.10 3kcr s GLU 144 Cb -0.18 0.03 -0.02 0.00 -4.31 0.00 0.00 34.13 29.65 3kcr s GLU 144 CO -0.09 -0.06 0.78 -0.25 0.01 0.00 0.00 175.26 175.66 3kcr n ASP 145 N 3.30 -5.97 -4.42 -0.19 8.00 -1.26 -4.71 116.55 111.30 3kcr n ASP 145 Ca -0.16 -0.79 -0.33 0.00 0.71 0.00 0.00 54.79 54.22 3kcr n ASP 145 Cb 0.57 -3.87 -0.14 0.00 -0.02 0.00 0.00 41.12 37.66 3kcr n ASP 145 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3kcr s VAL 146 N -3.32 2.98 0.24 2.53 -7.23 -1.26 -4.07 120.40 110.26 3kcr s VAL 146 Ca 0.34 -0.73 -0.05 0.00 -1.81 0.00 0.00 61.98 59.73 3kcr s VAL 146 Cb -0.10 -2.19 0.15 0.00 0.56 0.00 0.00 36.38 34.79 3kcr s VAL 146 CO 0.82 0.56 1.79 0.25 -0.31 0.00 0.00 175.10 178.21 3kcr h LEU 147 N 5.97 0.98 -2.37 1.32 5.85 -1.78 -3.38 115.31 121.89 3kcr h LEU 147 Ca -0.37 -0.17 -0.31 0.00 0.84 0.00 0.00 57.88 57.87 3kcr h LEU 147 Cb 1.18 -0.25 0.16 0.00 0.37 0.00 0.00 40.66 42.12 3kcr h LEU 147 CO 0.52 0.91 -0.86 -0.38 -0.34 0.00 0.00 178.44 178.29 3kcr n ILE 148 N -4.27 -7.59 -1.74 4.05 5.41 -1.25 -1.56 119.36 112.41 3kcr n ILE 148 Ca 0.06 -1.05 -0.42 0.00 1.00 0.00 0.00 62.75 62.34 3kcr n ILE 148 Cb 0.22 -5.61 -0.03 0.00 -0.71 0.00 0.00 39.64 33.51 3kcr n ILE 148 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3kcr s ILE 149 N -3.43 2.03 -0.06 1.39 -1.09 -1.24 -1.33 121.20 117.47 3kcr s ILE 149 Ca 0.33 0.02 0.04 0.00 -2.23 0.00 0.00 60.65 58.82 3kcr s ILE 149 Cb -0.06 -3.01 -0.00 0.00 -1.58 0.00 0.00 42.46 37.80 3kcr s ILE 149 CO 0.77 0.00 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.40 3kcr s THR 150 N 0.79 1.63 -0.21 2.92 2.01 -1.18 -3.66 115.64 117.94 3kcr s THR 150 Ca 0.71 -0.81 0.09 0.00 0.31 0.00 0.00 61.69 61.99 3kcr s THR 150 Cb -0.49 -1.40 -0.12 0.00 0.01 0.00 0.00 72.50 70.49 3kcr s THR 150 CO 0.37 0.46 0.29 0.61 -0.69 0.00 0.00 174.62 175.67 3kcr n GLY 151 N 3.24 -0.16 0.07 4.40 0.00 -1.26 -4.12 105.19 107.35 3kcr n GLY 151 Ca -0.19 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 3kcr n GLY 151 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kcr h GLU 152 N 0.00 0.00 -2.41 1.61 5.08 -1.93 -3.45 114.58 113.48 3kcr h GLU 152 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kcr h GLU 152 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3kcr h GLU 152 CO 0.00 0.86 -0.12 1.28 -1.00 0.00 0.00 179.01 180.03 3kcr n LEU 153 N -4.61 -2.53 -4.29 1.33 4.77 -1.26 -5.09 117.00 105.32 3kcr n LEU 153 Ca -0.11 0.32 -0.28 0.00 -0.03 0.00 0.00 56.01 55.91 3kcr n LEU 153 Cb 0.44 -1.26 -0.15 0.00 -2.33 0.00 0.00 43.42 40.12 3kcr n LEU 153 CO 0.28 -0.35 -0.55 -0.62 -1.33 0.00 0.00 177.39 174.82 3kcr s ASP 154 N -0.07 2.79 0.00 -1.43 2.15 -1.26 -5.03 116.67 113.82 3kcr s ASP 154 Ca -0.00 -0.51 0.24 0.00 0.43 0.00 0.00 52.55 52.70 3kcr s ASP 154 Cb 0.00 -0.26 0.21 0.00 -0.30 0.00 0.00 42.92 42.57 3kcr s ASP 154 CO 0.01 0.23 1.26 -0.62 -0.17 0.00 0.00 175.17 175.88 3kcr n GLU 155 N 2.02 1.93 -0.00 4.34 -0.58 -1.26 -3.20 120.64 123.89 3kcr n GLU 155 Ca -0.17 -1.56 0.08 0.00 -0.42 0.00 0.00 57.16 55.09 3kcr n GLU 155 Cb 0.52 -1.47 -0.09 0.00 -0.57 0.00 0.00 31.44 29.83 3kcr n GLU 155 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3kcr n ASN 156 N 0.83 0.79 0.22 1.62 5.03 -1.26 -2.70 115.26 119.78 3kcr n ASN 156 Ca 0.13 -0.85 0.11 0.00 0.87 0.00 0.00 54.58 54.85 3kcr n ASN 156 Cb 0.54 1.03 0.23 0.00 -1.02 0.00 0.00 39.78 40.57 3kcr n ASN 156 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3kcr h LEU 157 N 0.00 0.00 -3.95 3.41 3.38 -1.82 -2.85 115.31 113.48 3kcr h LEU 157 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 3kcr h LEU 157 Cb 0.40 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.87 3kcr h LEU 157 CO 0.00 0.08 0.59 0.49 0.09 0.00 0.00 178.44 179.69 3kcr n PHE 158 N -3.13 2.94 0.15 1.13 3.72 -1.10 -3.83 117.46 117.34 3kcr n PHE 158 Ca 0.03 -1.77 0.00 0.00 -0.05 0.00 0.00 57.45 55.67 3kcr n PHE 158 Cb 0.52 -0.90 0.00 0.00 -0.94 0.00 0.00 39.48 38.16 3kcr n PHE 158 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3kcr n LEU 159 N -1.03 -0.79 0.00 4.37 4.77 -1.24 -5.00 117.00 118.08 3kcr n LEU 159 Ca 0.57 0.53 -0.02 0.00 -0.03 0.00 0.00 56.01 57.05 3kcr n LEU 159 Cb 1.62 0.93 0.01 0.00 -2.33 0.00 0.00 43.42 43.66 3kcr n LEU 159 CO 0.58 -0.61 0.06 0.00 -1.33 0.00 0.00 177.39 176.09 3kcr n ALA 160 N -3.41 -0.03 -1.16 -1.18 0.00 -1.08 -4.81 120.51 108.86 3kcr n ALA 160 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3kcr n ALA 160 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3kcr n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcr n ALA 161 N -3.02 0.00 -0.95 0.00 0.00 -1.26 -4.69 120.51 110.59 3kcr n ALA 161 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3kcr n ALA 161 Cb 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.15 3kcr n ALA 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kcr n ARG 162 N -1.60 0.00 0.01 0.00 1.74 -1.26 -1.82 116.66 113.74 3kcr n ARG 162 Ca 0.00 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 3kcr n ARG 162 Cb 0.23 -0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.74 3kcr n ARG 162 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3kcr n ASN 163 N 0.00 0.66 -4.58 0.55 2.85 -1.26 -3.11 115.26 110.37 3kcr n ASN 163 Ca 0.00 -0.41 -0.41 0.00 -0.11 0.00 0.00 54.58 53.65 3kcr n ASN 163 Cb 0.01 0.64 -0.08 0.00 1.24 0.00 0.00 39.78 41.59 3kcr n ASN 163 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 3kcr s LEU 164 N -3.36 4.24 0.38 1.20 2.96 -1.26 -4.95 118.68 117.89 3kcr s LEU 164 Ca 0.07 0.16 0.06 0.00 -0.22 0.00 0.00 54.13 54.21 3kcr s LEU 164 Cb 0.16 -2.61 0.79 0.00 0.50 0.00 0.00 46.19 45.03 3kcr s LEU 164 CO 0.78 -0.42 2.01 1.12 -1.32 0.00 0.00 176.35 178.52 3kcr h HIS 165 N 8.32 0.64 -0.69 5.38 2.07 -1.90 -2.81 115.15 126.17 3kcr h HIS 165 Ca -0.28 0.02 -0.02 0.00 -2.85 0.00 0.00 60.37 57.23 3kcr h HIS 165 Cb 1.13 -0.22 -0.03 0.00 2.57 0.00 0.00 27.41 30.86 3kcr h HIS 165 CO 0.74 0.38 0.34 0.87 -3.07 0.00 0.00 177.93 177.19 3kcr h LYS 166 N 0.67 0.96 -6.53 5.12 1.57 -1.92 -3.40 116.57 113.05 3kcr h LYS 166 Ca 0.23 -0.12 -0.52 0.00 -1.87 0.00 0.00 60.65 58.37 3kcr h LYS 166 Cb 0.08 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3kcr h LYS 166 CO -0.06 0.73 -0.11 0.54 -0.57 0.00 0.00 179.45 179.98 3kcr s VAL 167 N -5.58 4.99 0.00 0.50 0.11 -1.06 -4.15 120.40 115.21 3kcr s VAL 167 Ca -0.11 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 3kcr s VAL 167 Cb 0.17 -3.72 0.00 0.00 -1.53 0.00 0.00 36.38 31.29 3kcr s VAL 167 CO 0.80 -0.33 0.00 -0.90 -3.33 0.00 0.00 175.10 171.34 3kcr n ASP 168 N -0.92 0.00 -3.85 3.54 5.68 -0.75 -4.03 116.55 116.22 3kcr n ASP 168 Ca -0.01 0.00 -0.30 0.00 -0.50 0.00 0.00 54.79 53.98 3kcr n ASP 168 Cb 0.54 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.36 3kcr n ASP 168 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3kcr s VAL 169 N -0.64 1.24 0.67 2.12 1.01 -1.24 -3.96 120.40 119.60 3kcr s VAL 169 Ca 0.00 -1.26 -0.02 0.00 0.00 0.00 0.00 61.98 60.70 3kcr s VAL 169 Cb 0.00 -1.71 0.09 0.00 0.00 0.00 0.00 36.38 34.76 3kcr s VAL 169 CO 0.00 -0.33 0.94 -0.60 0.00 0.00 0.00 175.10 175.10 3kcr s ARG 170 N 1.49 2.01 0.24 2.72 6.06 -0.44 -4.96 118.95 126.07 3kcr s ARG 170 Ca 0.01 -0.84 -0.02 0.00 -2.50 0.00 0.00 55.73 52.38 3kcr s ARG 170 Cb -0.18 -2.34 -0.03 0.00 0.06 0.00 0.00 34.95 32.46 3kcr s ARG 170 CO -0.12 -1.21 0.23 -0.51 -2.50 0.00 0.00 175.30 171.20 3kcr s ASP 171 N -4.60 0.36 -0.27 -2.12 1.11 -1.26 -3.12 116.67 106.77 3kcr s ASP 171 Ca 0.63 -1.36 0.11 0.00 0.18 0.00 0.00 52.55 52.10 3kcr s ASP 171 Cb -0.08 0.46 0.75 0.00 1.07 0.00 0.00 42.92 45.12 3kcr s ASP 171 CO 0.43 -0.95 1.72 0.00 1.18 0.00 0.00 175.17 177.54 3kcr n ALA 172 N -0.36 4.15 -3.73 5.23 0.00 -1.26 -4.78 120.51 119.76 3kcr n ALA 172 Ca 0.02 -2.00 -0.27 0.00 0.00 0.00 0.00 53.44 51.19 3kcr n ALA 172 Cb 0.64 -1.18 -0.17 0.00 0.00 0.00 0.00 19.45 18.74 3kcr n ALA 172 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kcr s THR 173 N -2.76 1.26 -0.63 0.00 -4.23 -1.26 -4.48 115.64 103.54 3kcr s THR 173 Ca 0.52 -0.48 -0.03 0.00 -1.18 0.00 0.00 61.69 60.52 3kcr s THR 173 Cb 0.41 -1.19 0.00 0.00 1.34 0.00 0.00 72.50 73.06 3kcr s THR 173 CO 0.14 0.40 0.54 0.61 -0.54 0.00 0.00 174.62 175.77 3kcr n GLY 174 N 4.41 0.14 3.55 3.99 0.00 -1.26 -4.86 105.19 111.17 3kcr n GLY 174 Ca -0.18 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 3kcr n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kcr s ILE 175 N -3.17 3.35 0.39 -0.61 1.01 -1.26 -4.94 121.20 115.98 3kcr s ILE 175 Ca 0.16 -0.05 -0.27 0.00 0.00 0.00 0.00 60.65 60.50 3kcr s ILE 175 Cb -0.07 -3.85 -0.10 0.00 0.01 0.00 0.00 42.46 38.45 3kcr s ILE 175 CO 0.36 -0.81 1.42 -1.81 0.00 0.00 0.00 174.94 174.10 3kcr s ASP 176 N 8.54 6.27 0.66 3.58 1.01 -1.26 -4.87 116.67 130.59 3kcr s ASP 176 Ca 0.72 2.92 0.43 0.00 0.71 0.00 0.00 52.55 57.32 3kcr s ASP 176 Cb -0.11 -2.66 2.33 0.00 1.01 0.00 0.00 42.92 43.50 3kcr s ASP 176 CO 0.12 -0.91 2.31 -0.65 0.21 0.00 0.00 175.17 176.25 3kcr h PRO 177 N 2.82 0.00 -3.84 8.23 0.11 -1.97 -3.42 132.00 133.92 3kcr h PRO 177 Ca -0.50 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.06 3kcr h PRO 177 Cb 1.25 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.96 3kcr h PRO 177 CO 0.63 0.00 -0.77 0.08 -0.21 0.00 0.00 178.00 177.73 3kcr s VAL 178 N -4.13 0.89 0.00 3.15 1.01 -1.26 -4.73 120.40 115.33 3kcr s VAL 178 Ca -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3kcr s VAL 178 Cb 0.12 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 35.20 3kcr s VAL 178 CO 0.39 -0.16 0.00 -1.54 0.00 0.00 0.00 175.10 173.79 3kcr n SER 179 N 4.91 0.00 0.00 3.32 3.41 -1.26 -4.99 113.62 119.02 3kcr n SER 179 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3kcr n SER 179 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3kcr n SER 179 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kcr n LEU 180 N 0.00 0.00 -0.47 1.04 4.77 -1.26 -3.70 117.00 117.38 3kcr n LEU 180 Ca 0.00 -0.19 0.06 0.00 -0.03 0.00 0.00 56.01 55.86 3kcr n LEU 180 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 3kcr n LEU 180 CO 0.00 0.00 0.41 2.30 -1.33 0.00 0.00 177.39 178.77 3kcr n ILE 181 N -0.72 0.00 0.93 -0.08 -5.35 -1.26 -4.13 119.36 108.76 3kcr n ILE 181 Ca 0.00 -0.47 0.10 0.00 -0.27 0.00 0.00 62.75 62.10 3kcr n ILE 181 Cb 0.00 1.25 -0.09 0.00 -1.74 0.00 0.00 39.64 39.06 3kcr n ILE 181 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kcr n ALA 182 N 0.54 4.34 -3.67 -1.28 0.00 -1.26 -4.88 120.51 114.29 3kcr n ALA 182 Ca 0.07 -0.57 -0.13 0.00 0.00 0.00 0.00 53.44 52.80 3kcr n ALA 182 Cb 0.31 -0.72 -0.14 0.00 0.00 0.00 0.00 19.45 18.90 3kcr n ALA 182 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3kcr s PHE 183 N -2.75 -0.17 -0.00 0.00 0.08 -1.24 -5.02 117.98 108.88 3kcr s PHE 183 Ca 0.10 0.48 -0.19 0.00 0.12 0.00 0.00 56.93 57.43 3kcr s PHE 183 Cb 0.15 -0.07 -0.27 0.00 -0.57 0.00 0.00 43.02 42.27 3kcr s PHE 183 CO 0.75 -0.16 1.04 0.38 -0.10 0.00 0.00 175.22 177.13 3kcr h ASP 184 N 7.12 0.59 -3.14 1.36 3.04 -1.81 -3.41 116.42 120.16 3kcr h ASP 184 Ca -0.41 -0.83 -0.59 0.00 -3.24 0.00 0.00 57.03 51.96 3kcr h ASP 184 Cb 1.15 -0.18 -0.04 0.00 -1.04 0.00 0.00 39.33 39.21 3kcr h ASP 184 CO 0.42 1.35 -0.22 -0.54 -2.04 0.00 0.00 179.24 178.21 3kcr s LYS 185 N -2.94 3.79 -0.11 4.15 1.02 -1.26 -3.90 119.74 120.49 3kcr s LYS 185 Ca -0.13 0.22 -0.10 0.00 0.02 0.00 0.00 55.97 55.99 3kcr s LYS 185 Cb 0.03 -2.99 0.03 0.00 -0.52 0.00 0.00 37.83 34.38 3kcr s LYS 185 CO 0.85 0.55 0.29 0.08 -0.92 0.00 0.00 175.35 176.20 3kcr s VAL 186 N -1.41 -0.00 -0.02 3.17 1.01 -0.82 -3.08 120.40 119.25 3kcr s VAL 186 Ca 0.34 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 62.07 3kcr s VAL 186 Cb -0.14 -0.41 -0.20 0.00 0.00 0.00 0.00 36.38 35.63 3kcr s VAL 186 CO 0.18 0.00 1.24 0.58 0.00 0.00 0.00 175.10 177.11 3kcr h VAL 187 N 4.71 1.41 -0.76 2.92 2.07 -1.85 -3.32 116.25 121.44 3kcr h VAL 187 Ca -0.26 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 65.99 3kcr h VAL 187 Cb 1.19 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 3kcr h VAL 187 CO 0.32 0.35 -0.22 0.80 0.02 0.00 0.00 177.57 178.84 3kcr n MET 188 N -4.76 -0.80 -4.31 1.57 0.00 -1.24 -0.42 117.12 107.16 3kcr n MET 188 Ca -0.08 0.64 -0.16 0.00 0.00 0.00 0.00 57.70 58.09 3kcr n MET 188 Cb 0.30 -0.83 -0.10 0.00 0.00 0.00 0.00 33.22 32.59 3kcr n MET 188 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3kcr s THR 189 N -3.95 0.97 0.29 1.12 -4.23 -1.26 -2.53 115.64 106.05 3kcr s THR 189 Ca 0.00 -2.03 0.04 0.00 -1.18 0.00 0.00 61.69 58.52 3kcr s THR 189 Cb 0.00 -2.26 0.07 0.00 1.34 0.00 0.00 72.50 71.64 3kcr s THR 189 CO 0.00 -0.38 1.73 0.00 -0.54 0.00 0.00 174.62 175.43 3kcr h ALA 190 N 2.54 1.13 -0.81 3.99 0.00 -1.92 -2.26 119.26 121.94 3kcr h ALA 190 Ca -0.38 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 3kcr h ALA 190 Cb 1.22 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3kcr h ALA 190 CO 0.64 0.55 0.45 -0.44 0.00 0.00 0.00 179.25 180.45 3kcr h ASP 191 N 0.36 0.99 0.05 0.00 5.19 -1.96 -2.41 116.42 118.63 3kcr h ASP 191 Ca 0.05 -0.08 -0.18 0.00 -0.62 0.00 0.00 57.03 56.20 3kcr h ASP 191 Cb 0.68 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.93 3kcr h ASP 191 CO 0.05 0.79 -0.64 0.00 -3.12 0.00 0.00 179.24 176.32 3kcr h ALA 192 N 1.37 0.59 -0.48 3.45 0.00 -1.73 -2.38 119.26 120.09 3kcr h ALA 192 Ca 0.29 -0.56 0.07 0.00 0.00 0.00 0.00 54.91 54.71 3kcr h ALA 192 Cb 0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3kcr h ALA 192 CO -0.05 0.71 0.13 0.28 0.00 0.00 0.00 179.25 180.32 3kcr h VAL 193 N 0.41 0.78 -0.41 0.00 2.07 -1.17 -2.51 116.25 115.42 3kcr h VAL 193 Ca -0.01 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.52 3kcr h VAL 193 Cb 1.21 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3kcr h VAL 193 CO 0.12 0.05 0.29 0.11 0.02 0.00 0.00 177.57 178.16 3kcr h LYS 194 N 0.27 0.07 0.07 1.57 1.79 -1.39 -3.31 116.57 115.64 3kcr h LYS 194 Ca 0.23 -0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.41 3kcr h LYS 194 Cb 0.28 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 3kcr h LYS 194 CO -0.28 0.05 -1.54 1.96 -1.08 0.00 0.00 179.45 178.56 3kcr h GLN 195 N 0.07 0.14 -0.29 3.15 4.20 -1.37 -3.36 115.11 117.65 3kcr h GLN 195 Ca 0.19 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3kcr h GLN 195 Cb 0.68 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.55 3kcr h GLN 195 CO -0.02 0.94 0.00 1.33 -0.67 0.00 0.00 178.83 180.41 3kcr n VAL 196 N -3.33 0.39 -0.28 -0.54 0.24 -1.24 -4.07 118.33 109.48 3kcr n VAL 196 Ca -0.15 -0.39 0.07 0.00 -2.04 0.00 0.00 64.34 61.83 3kcr n VAL 196 Cb 1.03 0.20 0.30 0.00 -1.47 0.00 0.00 33.84 33.90 3kcr n VAL 196 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kcr n GLU 197 N 0.35 3.49 -0.83 7.34 1.02 -1.26 -2.85 120.64 127.90 3kcr n GLU 197 Ca 0.10 -2.37 -0.05 0.00 -0.02 0.00 0.00 57.16 54.82 3kcr n GLU 197 Cb 0.25 -1.88 -0.05 0.00 -0.02 0.00 0.00 31.44 29.74 3kcr n GLU 197 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3kcr n GLU 198 N 0.76 0.00 0.00 3.49 -0.00 -0.88 -4.78 120.64 119.23 3kcr n GLU 198 Ca 0.21 -0.67 0.00 0.00 -0.00 0.00 0.00 57.16 56.71 3kcr n GLU 198 Cb 0.83 0.34 0.00 0.00 -0.00 0.00 0.00 31.44 32.60 3kcr n GLU 198 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3kcr n MET 199 N 0.00 3.43 0.00 3.44 2.81 -1.16 -4.84 117.12 120.80 3kcr n MET 199 Ca -0.19 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 3kcr n MET 199 Cb 0.63 -0.29 0.00 0.00 -0.71 0.00 0.00 33.22 32.85 3kcr n MET 199 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3kcr n LEU 200 N 0.00 0.00 0.00 4.03 4.77 -1.13 -4.71 117.00 119.96 3kcr n LEU 200 Ca 0.00 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3kcr n LEU 200 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3kcr n LEU 200 CO 0.00 0.06 0.00 0.00 -1.33 0.00 0.00 177.39 176.12