#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3klr s VAL 2 N 0.00 0.71 0.25 -3.33 -7.23 -1.26 -5.00 120.40 104.54 3klr s VAL 2 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 3klr s VAL 2 Cb 0.00 -2.35 -0.09 0.00 0.56 0.00 0.00 36.38 34.50 3klr s VAL 2 CO 0.00 -0.27 0.97 -0.60 -0.31 0.00 0.00 175.10 174.88 3klr s ARG 3 N -3.95 4.81 0.25 4.82 3.52 -1.26 -4.64 118.95 122.51 3klr s ARG 3 Ca 0.30 1.54 0.11 0.00 -0.13 0.00 0.00 55.73 57.54 3klr s ARG 3 Cb 0.07 -3.25 -0.05 0.00 -1.56 0.00 0.00 34.95 30.16 3klr s ARG 3 CO 0.08 0.46 -0.18 0.15 -0.81 0.00 0.00 175.30 175.00 3klr s LYS 4 N -1.25 1.56 0.21 5.12 1.02 -0.54 -3.94 119.74 121.91 3klr s LYS 4 Ca 0.42 -1.71 0.06 0.00 0.02 0.00 0.00 55.97 54.76 3klr s LYS 4 Cb -0.27 -1.55 -0.05 0.00 -0.52 0.00 0.00 37.83 35.44 3klr s LYS 4 CO 0.33 0.28 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.90 3klr s PHE 5 N -2.65 1.61 0.35 3.18 0.08 0.24 -0.77 117.98 120.02 3klr s PHE 5 Ca 0.27 -0.72 0.09 0.00 0.12 0.00 0.00 56.93 56.69 3klr s PHE 5 Cb -0.04 -0.84 -0.06 0.00 -0.57 0.00 0.00 43.02 41.52 3klr s PHE 5 CO 0.12 0.18 0.00 0.95 -0.10 0.00 0.00 175.22 176.38 3klr s THR 6 N -3.17 2.45 0.53 0.64 -4.23 -0.04 -0.35 115.64 111.47 3klr s THR 6 Ca 0.24 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.95 3klr s THR 6 Cb 0.02 -2.80 0.34 0.00 1.34 0.00 0.00 72.50 71.40 3klr s THR 6 CO 0.07 -0.16 2.07 -0.33 -0.54 0.00 0.00 174.62 175.72 3klr h GLU 7 N 1.82 0.00 -0.64 3.99 5.08 -1.97 0.06 114.58 122.91 3klr h GLU 7 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3klr h GLU 7 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3klr h GLU 7 CO 0.69 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.33 3klr n LYS 8 N -4.45 3.52 -2.49 2.33 4.76 -1.26 -4.93 118.16 115.65 3klr n LYS 8 Ca 0.04 -2.48 -0.11 0.00 -2.87 0.00 0.00 58.31 52.90 3klr n LYS 8 Cb 0.37 -1.87 0.01 0.00 -1.84 0.00 0.00 35.03 31.70 3klr n LYS 8 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3klr n HIS 9 N 0.85 -0.80 -3.55 2.13 8.25 0.01 -4.98 115.22 117.12 3klr n HIS 9 Ca 0.22 0.17 -0.19 0.00 -0.26 0.00 0.00 57.72 57.66 3klr n HIS 9 Cb 0.83 -2.61 -0.01 0.00 1.12 0.00 0.00 29.99 29.32 3klr n HIS 9 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3klr s GLU 10 N -4.90 3.05 0.13 -0.41 2.02 -1.25 -1.16 118.70 116.18 3klr s GLU 10 Ca 0.10 -1.06 0.04 0.00 0.02 0.00 0.00 54.97 54.07 3klr s GLU 10 Cb -0.04 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.39 3klr s GLU 10 CO 0.12 0.08 -0.10 1.67 0.02 0.00 0.00 175.26 177.06 3klr s TRP 11 N -2.19 1.19 -0.04 1.61 1.48 0.00 -0.86 118.94 120.13 3klr s TRP 11 Ca 0.44 -0.76 0.01 0.00 -1.06 0.00 0.00 56.10 54.73 3klr s TRP 11 Cb -0.09 -0.62 0.02 0.00 -1.16 0.00 0.00 33.47 31.62 3klr s TRP 11 CO 0.30 0.04 -0.05 0.08 -4.06 0.00 0.00 176.95 173.26 3klr s VAL 12 N -3.18 0.57 0.11 -0.66 1.01 0.05 -1.79 120.40 116.51 3klr s VAL 12 Ca 0.14 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.05 3klr s VAL 12 Cb 0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 3klr s VAL 12 CO -0.00 0.23 -0.16 0.42 0.00 0.00 0.00 175.10 175.59 3klr s THR 13 N 0.87 3.00 0.06 3.92 -4.23 -0.44 -1.47 115.64 117.35 3klr s THR 13 Ca -0.12 -1.43 0.06 0.00 -1.18 0.00 0.00 61.69 59.02 3klr s THR 13 Cb -0.14 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.29 3klr s THR 13 CO 0.01 0.11 -0.16 0.42 -0.54 0.00 0.00 174.62 174.46 3klr s THR 14 N -1.16 1.24 -0.25 3.99 -4.23 -1.26 -0.67 115.64 113.30 3klr s THR 14 Ca 0.19 -1.16 -0.22 0.00 -1.18 0.00 0.00 61.69 59.31 3klr s THR 14 Cb -0.11 -1.14 0.07 0.00 1.34 0.00 0.00 72.50 72.66 3klr s THR 14 CO 0.11 -0.04 0.66 -1.83 -0.54 0.00 0.00 174.62 172.98 3klr s GLU 15 N -1.39 0.76 -1.57 3.99 -1.05 -0.49 -4.75 118.70 114.20 3klr s GLU 15 Ca 0.02 0.95 -0.15 0.00 -0.15 0.00 0.00 54.97 55.64 3klr s GLU 15 Cb -0.09 0.35 0.10 0.00 -0.44 0.00 0.00 34.13 34.05 3klr s GLU 15 CO 0.02 -0.10 0.93 0.09 0.95 0.00 0.00 175.26 177.15 3klr n ASN 16 N 2.92 -4.50 -0.21 0.83 5.03 -1.26 -1.31 115.26 116.76 3klr n ASN 16 Ca -0.15 -0.81 -0.03 0.00 0.87 0.00 0.00 54.58 54.46 3klr n ASN 16 Cb 0.56 -3.61 -0.01 0.00 -1.02 0.00 0.00 39.78 35.69 3klr n ASN 16 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3klr n GLY 17 N -1.61 0.59 3.15 7.41 0.00 -1.26 -5.01 105.19 108.46 3klr n GLY 17 Ca 0.05 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 3klr n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3klr s VAL 18 N -2.01 1.71 -0.11 1.61 1.01 -0.43 -2.30 120.40 119.89 3klr s VAL 18 Ca 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 3klr s VAL 18 Cb 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3klr s VAL 18 CO 0.00 0.48 0.04 -0.83 0.00 0.00 0.00 175.10 174.80 3klr s GLY 19 N 0.47 1.93 -0.17 4.51 0.00 0.78 -1.40 107.32 113.44 3klr s GLY 19 Ca -0.17 -0.76 -0.06 0.00 0.00 0.00 0.00 44.72 43.73 3klr s GLY 19 CO 0.07 -0.41 0.02 -1.59 0.00 0.00 0.00 173.10 171.19 3klr s THR 20 N -0.68 4.43 -0.03 0.90 2.01 0.16 -0.76 115.64 121.66 3klr s THR 20 Ca 0.11 -0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.01 3klr s THR 20 Cb -0.12 -2.97 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 3klr s THR 20 CO 0.02 0.48 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.51 3klr s VAL 21 N 0.28 1.86 0.00 3.82 1.01 -0.01 -1.33 120.40 126.04 3klr s VAL 21 Ca 0.01 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3klr s VAL 21 Cb -0.13 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.69 3klr s VAL 21 CO 0.01 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3klr n GLY 22 N 2.68 2.98 3.69 4.51 0.00 -0.74 -0.54 105.19 117.77 3klr n GLY 22 Ca -0.16 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.31 3klr n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3klr s ILE 23 N -2.52 3.90 0.89 -0.61 -4.36 -1.26 -0.82 121.20 116.42 3klr s ILE 23 Ca 0.00 -1.27 -0.13 0.00 -0.26 0.00 0.00 60.65 58.99 3klr s ILE 23 Cb 0.00 -2.94 0.13 0.00 1.25 0.00 0.00 42.46 40.90 3klr s ILE 23 CO 0.00 -0.06 1.19 -0.94 0.24 0.00 0.00 174.94 175.37 3klr s SER 24 N -2.82 3.74 0.22 4.36 1.04 -0.31 -4.55 113.70 115.39 3klr s SER 24 Ca 0.27 0.74 -0.08 0.00 0.48 0.00 0.00 55.95 57.37 3klr s SER 24 Cb -0.10 -1.17 0.19 0.00 0.10 0.00 0.00 66.02 65.04 3klr s SER 24 CO 0.19 -2.38 1.86 -1.13 0.98 0.00 0.00 173.24 172.76 3klr h ASN 25 N -1.39 1.04 -0.69 7.02 -1.24 -1.93 -1.11 115.58 117.27 3klr h ASN 25 Ca -0.47 -0.07 0.05 0.00 0.71 0.00 0.00 56.30 56.52 3klr h ASN 25 Cb 1.31 -0.26 -0.05 0.00 0.73 0.00 0.00 38.32 40.05 3klr h ASN 25 CO 0.58 0.81 0.40 0.15 -1.29 0.00 0.00 177.43 178.08 3klr h PHE 26 N 1.18 0.74 -0.43 0.67 3.57 -1.93 -0.83 116.94 119.90 3klr h PHE 26 Ca 0.31 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.77 3klr h PHE 26 Cb -0.03 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 3klr h PHE 26 CO 0.00 0.37 0.04 0.00 -2.23 0.00 0.00 178.31 176.49 3klr h ALA 27 N 1.34 0.58 -0.32 2.41 0.00 -1.64 -1.66 119.26 119.97 3klr h ALA 27 Ca 0.30 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3klr h ALA 27 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3klr h ALA 27 CO -0.16 0.33 -0.32 -0.56 0.00 0.00 0.00 179.25 178.53 3klr h GLN 28 N 0.58 0.71 -0.66 0.00 -0.00 -0.87 -2.01 115.11 112.87 3klr h GLN 28 Ca 0.13 -0.33 0.01 0.00 -0.00 0.00 0.00 58.65 58.46 3klr h GLN 28 Cb 0.43 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.48 27.86 3klr h GLN 28 CO 0.01 0.93 0.43 0.93 -0.00 0.00 0.00 178.83 181.13 3klr h GLU 29 N 0.60 0.84 -0.45 0.06 4.39 -1.07 -1.15 114.58 117.80 3klr h GLU 29 Ca 0.07 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 3klr h GLU 29 Cb 0.84 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 3klr h GLU 29 CO 0.07 0.55 0.09 0.00 -1.16 0.00 0.00 179.01 178.57 3klr h ALA 30 N 1.25 1.31 -0.13 3.43 0.00 -0.90 -2.87 119.26 121.35 3klr h ALA 30 Ca 0.25 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 3klr h ALA 30 Cb -0.07 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.54 3klr h ALA 30 CO -0.07 0.48 -0.77 -0.07 0.00 0.00 0.00 179.25 178.82 3klr h LEU 31 N 0.67 0.82 0.00 0.00 3.38 -1.09 -3.49 115.31 115.60 3klr h LEU 31 Ca 0.15 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3klr h LEU 31 Cb 0.28 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3klr h LEU 31 CO 0.00 1.33 0.00 0.61 0.09 0.00 0.00 178.44 180.47 3klr n GLY 32 N 0.67 -1.32 3.68 0.83 0.00 -0.46 -4.36 105.19 104.24 3klr n GLY 32 Ca -0.07 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 3klr n GLY 32 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3klr s ASP 33 N -4.00 6.42 -0.10 1.61 2.15 -1.26 -4.89 116.67 116.60 3klr s ASP 33 Ca 0.00 2.76 -0.29 0.00 0.43 0.00 0.00 52.55 55.45 3klr s ASP 33 Cb 0.00 -2.56 -0.01 0.00 -0.30 0.00 0.00 42.92 40.05 3klr s ASP 33 CO 0.00 -1.03 0.98 -0.69 -0.17 0.00 0.00 175.17 174.26 3klr s VAL 34 N 3.17 4.81 -0.33 1.11 1.01 -1.26 -4.16 120.40 124.75 3klr s VAL 34 Ca 0.83 1.99 0.20 0.00 0.00 0.00 0.00 61.98 65.00 3klr s VAL 34 Cb -0.46 -4.29 -0.28 0.00 0.00 0.00 0.00 36.38 31.36 3klr s VAL 34 CO 0.38 0.03 0.57 1.33 0.00 0.00 0.00 175.10 177.41 3klr n VAL 35 N 4.47 0.00 -3.63 2.92 0.24 0.73 -3.51 118.33 119.55 3klr n VAL 35 Ca 0.08 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.34 61.94 3klr n VAL 35 Cb 0.49 0.37 -0.07 0.00 -1.47 0.00 0.00 33.84 33.16 3klr n VAL 35 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3klr s TYR 36 N -3.20 -0.67 -0.18 6.34 5.04 -1.16 -4.87 117.35 118.65 3klr s TYR 36 Ca -0.02 1.62 0.01 0.00 -2.44 0.00 0.00 57.07 56.24 3klr s TYR 36 Cb 0.13 0.31 0.02 0.00 0.35 0.00 0.00 41.96 42.77 3klr s TYR 36 CO 0.82 -0.33 -0.18 0.00 -1.34 0.00 0.00 175.55 174.52 3klr s SER 38 N 1.32 6.16 0.18 0.00 0.15 0.53 -4.93 113.70 117.10 3klr s SER 38 Ca 0.04 -0.68 0.08 0.00 0.70 0.00 0.00 55.95 56.09 3klr s SER 38 Cb -0.13 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 3klr s SER 38 CO -0.12 -0.49 -0.16 -0.76 1.20 0.00 0.00 173.24 172.91 3klr s LEU 39 N 1.96 2.49 0.76 3.45 1.43 -1.26 -1.41 118.68 126.09 3klr s LEU 39 Ca 0.09 -0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 52.15 3klr s LEU 39 Cb -0.18 -0.72 0.05 0.00 0.03 0.00 0.00 46.19 45.37 3klr s LEU 39 CO 0.12 -0.11 1.10 -2.16 0.23 0.00 0.00 176.35 175.53 3klr s PRO 40 N -3.18 2.41 0.40 1.29 0.04 -1.22 -5.01 135.00 129.73 3klr s PRO 40 Ca 0.18 0.59 -0.25 0.00 0.04 0.00 0.00 61.00 61.56 3klr s PRO 40 Cb -0.03 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 3klr s PRO 40 CO 0.06 -1.38 1.10 -2.00 0.04 0.00 0.00 177.00 174.83 3klr s GLU 41 N -5.23 4.12 0.28 4.56 2.12 -1.26 -4.87 118.70 118.42 3klr s GLU 41 Ca 0.60 1.66 -0.30 0.00 0.36 0.00 0.00 54.97 57.29 3klr s GLU 41 Cb -0.13 -2.61 -0.13 0.00 0.26 0.00 0.00 34.13 31.52 3klr s GLU 41 CO 0.53 -0.22 1.40 0.28 -0.54 0.00 0.00 175.26 176.71 3klr n VAL 42 N 0.02 1.28 -0.10 3.70 0.31 -1.26 -1.90 118.33 120.37 3klr n VAL 42 Ca 0.05 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3klr n VAL 42 Cb 0.48 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 3klr n VAL 42 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3klr n GLY 43 N 1.74 0.73 3.72 2.92 0.00 0.17 -5.01 105.19 109.46 3klr n GLY 43 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3klr n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3klr s THR 44 N -2.37 2.75 0.10 2.61 2.01 -0.80 -4.69 115.64 115.27 3klr s THR 44 Ca 0.00 0.55 -0.28 0.00 0.31 0.00 0.00 61.69 62.28 3klr s THR 44 Cb 0.00 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 69.09 3klr s THR 44 CO 0.00 0.05 0.88 -0.54 -0.69 0.00 0.00 174.62 174.32 3klr s LYS 45 N 0.88 4.63 -0.00 4.92 1.02 -1.26 -0.75 119.74 129.17 3klr s LYS 45 Ca 0.67 1.30 0.05 0.00 0.02 0.00 0.00 55.97 58.01 3klr s LYS 45 Cb -0.42 -3.35 -0.01 0.00 -0.52 0.00 0.00 37.83 33.52 3klr s LYS 45 CO 0.33 0.30 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.39 3klr s LEU 46 N -0.22 2.05 0.18 3.17 1.43 -0.21 -4.98 118.68 120.10 3klr s LEU 46 Ca 0.43 -0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 53.16 3klr s LEU 46 Cb -0.23 -0.81 -0.05 0.00 0.03 0.00 0.00 46.19 45.13 3klr s LEU 46 CO 0.27 0.18 0.41 0.20 0.23 0.00 0.00 176.35 177.64 3klr s ASN 47 N -0.50 6.47 0.28 2.29 0.01 -1.26 -0.52 114.94 121.71 3klr s ASN 47 Ca 0.06 0.59 -0.30 0.00 -0.71 0.00 0.00 52.86 52.50 3klr s ASN 47 Cb -0.06 -2.09 -0.13 0.00 0.41 0.00 0.00 41.25 39.37 3klr s ASN 47 CO -0.00 -0.01 1.28 1.17 -1.51 0.00 0.00 177.10 178.03 3klr n LYS 48 N -0.21 1.90 -0.28 -0.60 4.81 -1.21 -1.15 118.16 121.42 3klr n LYS 48 Ca -0.02 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 3klr n LYS 48 Cb 0.52 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.33 3klr n LYS 48 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3klr n GLN 49 N 1.23 0.00 -2.04 1.64 6.02 0.68 -4.93 117.38 119.99 3klr n GLN 49 Ca 0.09 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.67 3klr n GLN 49 Cb 0.33 -2.25 -0.02 0.00 1.02 0.00 0.00 30.24 29.32 3klr n GLN 49 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3klr s GLU 50 N -0.06 4.30 0.30 -1.09 2.12 -0.30 -4.31 118.70 119.65 3klr s GLU 50 Ca 0.00 2.30 -0.30 0.00 0.36 0.00 0.00 54.97 57.33 3klr s GLU 50 Cb 0.00 -3.05 -0.12 0.00 0.26 0.00 0.00 34.13 31.22 3klr s GLU 50 CO 0.00 -0.27 1.54 0.39 -0.54 0.00 0.00 175.26 176.37 3klr n GLU 51 N 0.77 2.55 0.00 4.30 1.02 -1.26 -0.39 120.64 127.63 3klr n GLU 51 Ca 0.00 0.91 0.00 0.00 -0.02 0.00 0.00 57.16 58.05 3klr n GLU 51 Cb 0.41 -2.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.18 3klr n GLU 51 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 3klr n PHE 52 N 1.82 0.00 -3.54 -0.32 1.16 0.05 -4.87 117.46 111.77 3klr n PHE 52 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.66 3klr n PHE 52 Cb 0.36 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.23 3klr n PHE 52 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3klr n GLY 53 N 0.84 -0.83 3.44 4.97 0.00 -1.23 -3.41 105.19 108.98 3klr n GLY 53 Ca 0.00 -0.93 -0.16 0.00 0.00 0.00 0.00 46.02 44.93 3klr n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3klr s ALA 54 N -1.00 -1.52 -0.01 4.61 0.00 -0.50 -0.85 121.76 122.49 3klr s ALA 54 Ca 0.00 0.90 0.03 0.00 0.00 0.00 0.00 51.96 52.90 3klr s ALA 54 Cb 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 3klr s ALA 54 CO 0.00 -0.45 -0.10 -0.51 0.00 0.00 0.00 175.76 174.71 3klr s LEU 55 N -1.63 3.01 0.05 0.00 1.43 -0.11 -0.35 118.68 121.08 3klr s LEU 55 Ca -0.08 -0.18 0.07 0.00 -1.03 0.00 0.00 54.13 52.91 3klr s LEU 55 Cb -0.01 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 3klr s LEU 55 CO 0.03 0.30 -0.19 -0.70 0.23 0.00 0.00 176.35 176.02 3klr s GLU 56 N -1.21 1.23 0.34 1.70 2.12 -0.23 -0.28 118.70 122.37 3klr s GLU 56 Ca 0.15 -0.91 0.04 0.00 0.36 0.00 0.00 54.97 54.61 3klr s GLU 56 Cb -0.11 -1.34 -0.03 0.00 0.26 0.00 0.00 34.13 32.91 3klr s GLU 56 CO 0.05 0.34 0.17 -1.54 -0.54 0.00 0.00 175.26 173.73 3klr s SER 57 N -1.25 1.96 0.29 -1.70 1.04 -0.05 -0.20 113.70 113.80 3klr s SER 57 Ca 0.06 -1.62 -0.01 0.00 0.48 0.00 0.00 55.95 54.86 3klr s SER 57 Cb -0.09 0.43 0.48 0.00 0.10 0.00 0.00 66.02 66.95 3klr s SER 57 CO 0.02 -0.92 1.89 0.58 0.98 0.00 0.00 173.24 175.79 3klr h VAL 58 N 2.07 1.06 -0.26 5.02 2.07 -1.83 -3.11 116.25 121.28 3klr h VAL 58 Ca -0.33 -0.37 -0.14 0.00 0.82 0.00 0.00 66.70 66.67 3klr h VAL 58 Cb 1.25 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3klr h VAL 58 CO 0.52 0.20 -0.40 0.50 0.02 0.00 0.00 177.57 178.41 3klr h LYS 59 N 1.09 0.72 -2.49 1.57 3.64 -1.92 -3.48 116.57 115.70 3klr h LYS 59 Ca 0.42 -0.43 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 3klr h LYS 59 Cb 0.21 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 31.96 3klr h LYS 59 CO -0.17 1.06 0.42 0.00 -2.27 0.00 0.00 179.45 178.49 3klr s ALA 60 N -4.18 -1.65 0.12 5.00 0.00 -1.18 -5.14 121.76 114.74 3klr s ALA 60 Ca -0.12 0.42 -0.07 0.00 0.00 0.00 0.00 51.96 52.18 3klr s ALA 60 Cb 0.09 0.63 -0.06 0.00 0.00 0.00 0.00 23.12 23.77 3klr s ALA 60 CO 0.85 -0.89 0.40 0.00 0.00 0.00 0.00 175.76 176.12 3klr s ALA 61 N -3.37 3.74 -0.16 0.00 0.00 -1.26 -0.87 121.76 119.84 3klr s ALA 61 Ca 0.08 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.58 3klr s ALA 61 Cb -0.02 -2.21 0.03 0.00 0.00 0.00 0.00 23.12 20.92 3klr s ALA 61 CO -0.03 0.61 -0.10 0.45 0.00 0.00 0.00 175.76 176.69 3klr s SER 62 N -2.14 2.86 0.31 0.00 0.15 0.61 -4.98 113.70 110.51 3klr s SER 62 Ca 0.38 -0.62 -0.28 0.00 0.70 0.00 0.00 55.95 56.13 3klr s SER 62 Cb -0.13 -1.09 -0.09 0.00 -1.71 0.00 0.00 66.02 62.99 3klr s SER 62 CO 0.21 -0.12 1.12 -1.61 1.20 0.00 0.00 173.24 174.04 3klr s GLU 63 N 1.52 4.49 -0.17 5.44 0.41 -1.26 -0.94 118.70 128.19 3klr s GLU 63 Ca 0.02 1.81 -0.06 0.00 -0.41 0.00 0.00 54.97 56.33 3klr s GLU 63 Cb -0.14 -3.04 -0.04 0.00 -1.78 0.00 0.00 34.13 29.13 3klr s GLU 63 CO -0.09 0.07 0.04 -0.51 -0.49 0.00 0.00 175.26 174.28 3klr s LEU 64 N -1.75 3.73 -0.06 1.80 1.43 -0.03 -4.94 118.68 118.86 3klr s LEU 64 Ca 0.48 0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.71 3klr s LEU 64 Cb -0.31 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 3klr s LEU 64 CO 0.40 0.20 -0.24 -0.31 0.23 0.00 0.00 176.35 176.64 3klr s TYR 65 N 0.19 2.47 0.16 0.29 2.02 -1.26 -0.77 117.35 120.44 3klr s TYR 65 Ca 0.03 -0.63 -0.31 0.00 -0.37 0.00 0.00 57.07 55.79 3klr s TYR 65 Cb -0.12 -1.60 -0.11 0.00 -0.40 0.00 0.00 41.96 39.73 3klr s TYR 65 CO 0.01 -0.15 1.77 -1.12 -1.57 0.00 0.00 175.55 174.49 3klr s SER 66 N -0.25 6.42 0.23 2.29 0.01 0.48 -4.81 113.70 118.07 3klr s SER 66 Ca -0.01 2.79 0.25 0.00 1.31 0.00 0.00 55.95 60.29 3klr s SER 66 Cb -0.13 -2.58 0.89 0.00 0.21 0.00 0.00 66.02 64.41 3klr s SER 66 CO 0.03 -0.98 1.75 -2.65 0.41 0.00 0.00 173.24 171.80 3klr n PRO 67 N 4.96 0.23 -3.94 12.44 -0.02 -1.26 -0.23 135.00 147.18 3klr n PRO 67 Ca 0.17 0.30 -0.09 0.00 -2.02 0.00 0.00 63.50 61.86 3klr n PRO 67 Cb 0.37 -1.83 -0.09 0.00 -0.02 0.00 0.00 33.50 31.93 3klr n PRO 67 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3klr s LEU 68 N -4.50 1.86 0.21 2.45 1.43 -1.26 -4.80 118.68 114.07 3klr s LEU 68 Ca 0.08 -0.61 -0.21 0.00 -1.03 0.00 0.00 54.13 52.36 3klr s LEU 68 Cb 0.11 0.59 -0.08 0.00 0.03 0.00 0.00 46.19 46.84 3klr s LEU 68 CO 0.51 -0.54 0.75 -0.44 0.23 0.00 0.00 176.35 176.86 3klr s SER 69 N -2.30 7.16 0.00 2.29 0.01 -1.26 -3.34 113.70 116.25 3klr s SER 69 Ca -0.02 1.50 0.00 0.00 1.31 0.00 0.00 55.95 58.74 3klr s SER 69 Cb 0.01 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.79 3klr s SER 69 CO -0.06 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.28 3klr n GLY 70 N 0.95 -0.47 2.79 3.44 0.00 0.32 -1.22 105.19 111.00 3klr n GLY 70 Ca -0.03 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 3klr n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3klr s GLU 71 N -2.00 -0.02 0.19 1.61 2.12 -0.72 -1.04 118.70 118.85 3klr s GLU 71 Ca 0.00 0.28 -0.31 0.00 0.36 0.00 0.00 54.97 55.30 3klr s GLU 71 Cb 0.00 -0.28 -0.10 0.00 0.26 0.00 0.00 34.13 34.01 3klr s GLU 71 CO 0.00 -0.20 1.54 0.08 -0.54 0.00 0.00 175.26 176.14 3klr s VAL 72 N 1.35 2.59 -0.05 3.70 1.01 0.07 -1.05 120.40 128.02 3klr s VAL 72 Ca -0.06 0.44 0.08 0.00 0.00 0.00 0.00 61.98 62.45 3klr s VAL 72 Cb -0.12 -3.28 -0.12 0.00 0.00 0.00 0.00 36.38 32.85 3klr s VAL 72 CO -0.04 0.04 0.10 0.35 0.00 0.00 0.00 175.10 175.56 3klr n THR 73 N 3.51 0.33 -3.64 3.92 -2.24 0.35 -0.65 114.28 115.86 3klr n THR 73 Ca 0.12 -0.30 -0.15 0.00 -2.27 0.00 0.00 64.05 61.45 3klr n THR 73 Cb 0.39 -0.31 -0.07 0.00 -2.10 0.00 0.00 70.33 68.23 3klr n THR 73 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3klr s GLU 74 N -2.39 0.84 0.24 -0.78 2.02 -1.05 -4.88 118.70 112.69 3klr s GLU 74 Ca -0.04 0.23 0.10 0.00 0.02 0.00 0.00 54.97 55.28 3klr s GLU 74 Cb 0.04 0.39 -0.05 0.00 0.10 0.00 0.00 34.13 34.61 3klr s GLU 74 CO 0.36 -0.22 -0.17 0.96 0.02 0.00 0.00 175.26 176.21 3klr s ILE 75 N -0.89 2.10 -0.69 -1.63 -5.25 -1.26 -0.79 121.20 112.79 3klr s ILE 75 Ca -0.09 -2.31 -0.25 0.00 -0.99 0.00 0.00 60.65 57.01 3klr s ILE 75 Cb -0.03 -2.17 0.05 0.00 2.95 0.00 0.00 42.46 43.26 3klr s ILE 75 CO 0.06 -0.50 1.13 0.21 -1.79 0.00 0.00 174.94 174.06 3klr s ASN 76 N -3.41 6.20 0.53 4.36 3.84 -0.66 -4.86 114.94 120.94 3klr s ASN 76 Ca 0.26 -0.60 0.35 0.00 0.21 0.00 0.00 52.86 53.08 3klr s ASN 76 Cb -0.03 -2.50 1.67 0.00 -0.55 0.00 0.00 41.25 39.84 3klr s ASN 76 CO 0.11 -1.62 2.06 0.11 -2.79 0.00 0.00 177.10 174.96 3klr h LYS 77 N 9.77 0.00 0.00 0.43 1.57 -1.94 -2.52 116.57 123.88 3klr h LYS 77 Ca -0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 3klr h LYS 77 Cb 1.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 3klr h LYS 77 CO 1.22 0.00 -0.04 0.00 -0.57 0.00 0.00 179.45 180.06 3klr h ALA 78 N 2.03 1.03 0.00 3.86 0.00 -1.95 -3.13 119.26 121.10 3klr h ALA 78 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3klr h ALA 78 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3klr h ALA 78 CO 0.00 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.58 3klr n LEU 79 N -3.18 0.63 -0.04 0.00 4.77 -0.95 -1.17 117.00 117.06 3klr n LEU 79 Ca -0.00 0.60 -0.11 0.00 -0.03 0.00 0.00 56.01 56.47 3klr n LEU 79 Cb 0.29 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 40.89 3klr n LEU 79 CO 0.27 -0.31 0.87 0.00 -1.33 0.00 0.00 177.39 176.89 3klr h ALA 80 N 2.48 0.21 0.00 -1.18 0.00 -1.76 -2.77 119.26 116.23 3klr h ALA 80 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3klr h ALA 80 Cb 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3klr h ALA 80 CO 0.00 -0.23 -1.53 0.39 0.00 0.00 0.00 179.25 177.88 3klr n GLU 81 N -4.89 0.48 -3.13 0.00 1.02 -1.21 -4.62 120.64 108.29 3klr n GLU 81 Ca -0.04 -0.09 -0.22 0.00 -0.02 0.00 0.00 57.16 56.78 3klr n GLU 81 Cb 0.10 -1.57 -0.04 0.00 -0.02 0.00 0.00 31.44 29.90 3klr n GLU 81 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3klr n ASN 82 N -2.15 2.19 0.27 1.62 4.13 -0.32 -4.92 115.26 116.08 3klr n ASN 82 Ca -0.01 -3.23 0.11 0.00 1.68 0.00 0.00 54.58 53.13 3klr n ASN 82 Cb 0.51 -0.61 0.73 0.00 -1.54 0.00 0.00 39.78 38.87 3klr n ASN 82 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 3klr h PRO 83 N 3.23 0.00 0.00 3.52 0.13 -1.70 -2.03 132.00 135.15 3klr h PRO 83 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3klr h PRO 83 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3klr h PRO 83 CO 0.63 0.05 0.00 0.41 -0.23 0.00 0.00 178.00 178.86 3klr n GLY 84 N -1.24 -0.72 0.37 1.56 0.00 -1.23 -1.93 105.19 102.00 3klr n GLY 84 Ca -0.03 -0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.14 3klr n GLY 84 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3klr h LEU 85 N 0.00 0.06 -0.80 0.99 5.85 -1.72 -1.02 115.31 118.67 3klr h LEU 85 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3klr h LEU 85 Cb 0.13 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3klr h LEU 85 CO 0.00 0.03 0.53 0.58 -0.34 0.00 0.00 178.44 179.24 3klr h VAL 86 N 0.06 1.20 -0.01 1.05 2.07 -1.63 0.00 116.25 119.00 3klr h VAL 86 Ca 0.24 -0.37 -0.26 0.00 0.82 0.00 0.00 66.70 67.12 3klr h VAL 86 Cb 0.86 0.03 0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3klr h VAL 86 CO -0.02 0.20 -1.03 0.78 0.02 0.00 0.00 177.57 177.52 3klr h ASN 87 N 1.08 0.92 0.71 0.57 4.21 -1.45 -3.01 115.58 118.60 3klr h ASN 87 Ca 0.30 -0.72 -0.11 0.00 1.21 0.00 0.00 56.30 56.97 3klr h ASN 87 Cb -0.11 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 36.79 3klr h ASN 87 CO -0.07 1.53 -0.52 0.50 -1.29 0.00 0.00 177.43 177.58 3klr h LYS 88 N 0.41 0.00 -0.17 0.81 3.64 -1.07 -3.39 116.57 116.79 3klr h LYS 88 Ca -0.12 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.00 3klr h LYS 88 Cb 1.68 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 33.33 3klr h LYS 88 CO 0.20 0.52 -0.50 0.45 -2.27 0.00 0.00 179.45 177.85 3klr n SER 89 N -3.70 -2.02 0.27 4.20 2.88 -0.03 -5.01 113.62 110.21 3klr n SER 89 Ca -0.01 -3.53 0.13 0.00 -1.33 0.00 0.00 58.87 54.13 3klr n SER 89 Cb 0.57 1.63 0.74 0.00 -0.75 0.00 0.00 64.21 66.39 3klr n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3klr n TYR 91 N -3.57 0.00 0.00 0.00 4.01 -1.26 -4.29 117.16 112.05 3klr n TYR 91 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3klr n TYR 91 Cb 0.24 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 3klr n TYR 91 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3klr n GLU 92 N -0.67 0.00 0.13 -0.72 2.13 -0.78 -4.87 120.64 115.86 3klr n GLU 92 Ca 0.08 0.00 0.13 0.00 0.66 0.00 0.00 57.16 58.03 3klr n GLU 92 Cb 0.40 0.00 0.41 0.00 0.27 0.00 0.00 31.44 32.52 3klr n GLU 92 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 3klr h ASP 93 N 0.00 0.00 -0.65 4.31 3.32 -1.83 -2.95 116.42 118.62 3klr h ASP 93 Ca 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3klr h ASP 93 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 3klr h ASP 93 CO 0.00 0.00 0.12 0.61 -1.72 0.00 0.00 179.24 178.25 3klr n GLY 94 N 0.91 3.25 3.58 2.75 0.00 0.39 -4.89 105.19 111.19 3klr n GLY 94 Ca 0.04 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 3klr n GLY 94 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3klr n TRP 95 N 0.30 0.29 -0.07 1.61 4.27 -1.12 -4.55 117.44 118.17 3klr n TRP 95 Ca 0.33 0.37 -0.12 0.00 -3.89 0.00 0.00 57.50 54.19 3klr n TRP 95 Cb 1.28 -2.01 -0.04 0.00 -1.36 0.00 0.00 31.31 29.18 3klr n TRP 95 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3klr n LEU 96 N -1.96 1.68 -4.14 5.67 4.77 0.30 -4.58 117.00 118.74 3klr n LEU 96 Ca 0.12 0.28 -0.09 0.00 -0.03 0.00 0.00 56.01 56.28 3klr n LEU 96 Cb 0.50 -0.64 -0.10 0.00 -2.33 0.00 0.00 43.42 40.85 3klr n LEU 96 CO 0.49 -0.11 -0.34 0.27 -1.33 0.00 0.00 177.39 176.37 3klr s ILE 97 N -2.60 0.30 0.11 -0.08 -4.36 -1.13 -1.66 121.20 111.77 3klr s ILE 97 Ca -0.25 -1.88 0.09 0.00 -0.26 0.00 0.00 60.65 58.35 3klr s ILE 97 Cb 0.06 -1.80 -0.04 0.00 1.25 0.00 0.00 42.46 41.94 3klr s ILE 97 CO 0.35 -0.73 -0.23 -0.54 0.24 0.00 0.00 174.94 174.02 3klr s LYS 98 N -3.95 1.23 -0.08 0.37 1.02 0.03 -0.83 119.74 117.53 3klr s LYS 98 Ca 0.16 -1.21 -0.17 0.00 0.02 0.00 0.00 55.97 54.77 3klr s LYS 98 Cb 0.07 -1.56 0.04 0.00 -0.52 0.00 0.00 37.83 35.86 3klr s LYS 98 CO -0.04 0.37 0.40 0.00 -0.92 0.00 0.00 175.35 175.16 3klr s MET 99 N -1.91 0.65 0.53 1.68 0.23 0.06 -0.49 119.30 120.05 3klr s MET 99 Ca 0.09 0.17 -0.20 0.00 -1.03 0.00 0.00 55.69 54.72 3klr s MET 99 Cb -0.10 0.30 -0.07 0.00 -1.53 0.00 0.00 34.83 33.44 3klr s MET 99 CO 0.05 -0.15 1.10 0.95 -2.03 0.00 0.00 175.02 174.93 3klr s THR 100 N -0.71 3.36 -0.09 3.16 -4.23 -0.22 -0.16 115.64 116.76 3klr s THR 100 Ca -0.08 0.84 0.04 0.00 -1.18 0.00 0.00 61.69 61.31 3klr s THR 100 Cb -0.04 -3.34 -0.01 0.00 1.34 0.00 0.00 72.50 70.46 3klr s THR 100 CO 0.04 -0.19 -0.23 0.72 -0.54 0.00 0.00 174.62 174.42 3klr s PHE 101 N -1.85 2.56 -0.46 3.99 -0.12 -0.97 -1.75 117.98 119.37 3klr s PHE 101 Ca 0.71 -0.89 0.23 0.00 -0.05 0.00 0.00 56.93 56.93 3klr s PHE 101 Cb -0.21 -1.69 0.10 0.00 -0.63 0.00 0.00 43.02 40.58 3klr s PHE 101 CO 0.25 -0.33 1.09 -1.13 -0.05 0.00 0.00 175.22 175.05 3klr n SER 102 N 3.34 0.68 -3.60 1.98 3.41 -0.36 -4.70 113.62 114.38 3klr n SER 102 Ca -0.18 0.08 -0.28 0.00 -0.26 0.00 0.00 58.87 58.22 3klr n SER 102 Cb 0.53 0.56 -0.12 0.00 -0.26 0.00 0.00 64.21 64.92 3klr n SER 102 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3klr s ASN 103 N -4.52 3.03 0.59 4.04 0.01 -1.26 -5.00 114.94 111.84 3klr s ASN 103 Ca 0.02 -2.88 0.30 0.00 -0.71 0.00 0.00 52.86 49.59 3klr s ASN 103 Cb 0.12 -0.84 1.76 0.00 0.41 0.00 0.00 41.25 42.71 3klr s ASN 103 CO 0.78 -0.21 2.18 -0.65 -1.51 0.00 0.00 177.10 177.69 3klr h PRO 104 N 6.23 0.00 -0.03 -0.60 0.11 -1.96 -0.94 132.00 134.82 3klr h PRO 104 Ca 0.11 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.23 3klr h PRO 104 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3klr h PRO 104 CO 0.45 0.00 0.03 0.66 -0.21 0.00 0.00 178.00 178.93 3klr h SER 105 N 0.00 0.00 0.04 -2.05 4.64 -2.00 -0.52 113.55 113.66 3klr h SER 105 Ca 0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3klr h SER 105 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3klr h SER 105 CO -0.00 0.00 -0.02 -0.33 -0.87 0.00 0.00 176.83 175.61 3klr h GLU 106 N 0.00 0.00 -0.74 4.77 5.08 -1.57 -1.37 114.58 120.74 3klr h GLU 106 Ca 0.01 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.59 3klr h GLU 106 Cb 0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3klr h GLU 106 CO -0.00 0.02 0.53 -0.07 -1.00 0.00 0.00 179.01 178.50 3klr h LEU 107 N 0.00 0.01 0.00 1.33 3.38 -1.27 0.65 115.31 119.41 3klr h LEU 107 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3klr h LEU 107 Cb 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3klr h LEU 107 CO 0.00 0.00 -0.52 0.47 0.09 0.00 0.00 178.44 178.49 3klr n ASP 108 N -4.32 0.54 0.01 -0.43 8.00 -0.52 -2.30 116.55 117.53 3klr n ASP 108 Ca 0.15 -0.05 0.13 0.00 0.71 0.00 0.00 54.79 55.73 3klr n ASP 108 Cb 0.81 0.16 0.39 0.00 -0.02 0.00 0.00 41.12 42.46 3klr n ASP 108 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3klr n GLU 109 N -1.74 0.05 -2.76 -1.24 1.02 0.21 -4.91 120.64 111.28 3klr n GLU 109 Ca 0.05 0.02 -0.32 0.00 -0.02 0.00 0.00 57.16 56.89 3klr n GLU 109 Cb 0.38 -1.54 -0.05 0.00 -0.02 0.00 0.00 31.44 30.21 3klr n GLU 109 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3klr s LEU 110 N -3.22 3.85 0.04 -4.62 1.43 -0.97 -5.04 118.68 110.15 3klr s LEU 110 Ca 0.12 1.51 -0.30 0.00 -1.03 0.00 0.00 54.13 54.42 3klr s LEU 110 Cb 0.17 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.97 3klr s LEU 110 CO 0.63 -0.40 1.04 -0.04 0.23 0.00 0.00 176.35 177.81 3klr s MET 111 N -3.50 4.55 0.94 1.70 -1.94 0.52 -4.83 119.30 116.75 3klr s MET 111 Ca 0.58 1.53 -0.11 0.00 -1.71 0.00 0.00 55.69 55.98 3klr s MET 111 Cb -0.10 -3.41 0.15 0.00 2.01 0.00 0.00 34.83 33.49 3klr s MET 111 CO 0.22 -0.06 1.09 -1.54 -0.01 0.00 0.00 175.02 174.72 3klr s SER 112 N 0.80 3.01 0.27 3.03 1.04 -1.26 -0.59 113.70 119.99 3klr s SER 112 Ca 0.53 1.63 -0.03 0.00 0.48 0.00 0.00 55.95 58.56 3klr s SER 112 Cb -0.24 -2.28 0.37 0.00 0.10 0.00 0.00 66.02 63.97 3klr s SER 112 CO 0.29 -2.95 1.91 -0.08 0.98 0.00 0.00 173.24 173.39 3klr h GLU 113 N -1.76 1.19 -0.51 4.02 4.22 -1.96 -0.24 114.58 119.54 3klr h GLU 113 Ca -0.50 -0.07 -0.02 0.00 0.08 0.00 0.00 59.36 58.85 3klr h GLU 113 Cb 1.29 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 3klr h GLU 113 CO 0.51 0.79 0.23 1.49 -2.18 0.00 0.00 179.01 179.85 3klr h GLU 114 N 1.22 0.74 -0.81 1.92 4.81 -1.94 0.50 114.58 121.03 3klr h GLU 114 Ca 0.40 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.47 3klr h GLU 114 Cb 0.04 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 3klr h GLU 114 CO -0.13 0.63 0.35 0.00 -0.73 0.00 0.00 179.01 179.13 3klr h ALA 115 N 1.07 1.10 -0.45 2.92 0.00 -1.80 -1.63 119.26 120.46 3klr h ALA 115 Ca 0.17 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3klr h ALA 115 Cb 0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3klr h ALA 115 CO -0.02 0.66 -0.14 -0.92 0.00 0.00 0.00 179.25 178.83 3klr h TYR 116 N 1.17 0.95 -0.24 0.00 3.20 -0.69 0.47 116.97 121.82 3klr h TYR 116 Ca 0.27 -0.19 0.04 0.00 3.14 0.00 0.00 58.73 61.99 3klr h TYR 116 Cb 0.17 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 3klr h TYR 116 CO 0.02 0.93 0.01 1.49 -1.64 0.00 0.00 178.16 178.97 3klr h GLU 117 N 0.76 0.08 -0.87 1.82 4.22 -0.60 -0.59 114.58 119.41 3klr h GLU 117 Ca 0.12 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.53 3klr h GLU 117 Cb 0.66 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 3klr h GLU 117 CO 0.05 0.05 0.44 0.87 -2.18 0.00 0.00 179.01 178.24 3klr h LYS 118 N 0.08 1.23 0.39 1.92 1.57 -0.97 -0.98 116.57 119.82 3klr h LYS 118 Ca 0.11 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3klr h LYS 118 Cb 0.14 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3klr h LYS 118 CO -0.19 0.92 -0.27 -0.92 -0.57 0.00 0.00 179.45 178.43 3klr h TYR 119 N 1.22 -0.72 -0.04 -1.35 3.20 -0.46 -0.81 116.97 118.01 3klr h TYR 119 Ca 0.30 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 62.04 3klr h TYR 119 Cb 0.08 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 3klr h TYR 119 CO 0.01 -0.41 -0.58 -0.84 -1.64 0.00 0.00 178.16 174.70 3klr h ILE 120 N -0.65 1.39 -0.39 1.81 3.07 -1.06 -0.82 117.51 120.87 3klr h ILE 120 Ca -0.04 -1.94 0.03 0.00 1.55 0.00 0.00 64.86 64.46 3klr h ILE 120 Cb 0.55 2.00 -0.03 0.00 -0.27 0.00 0.00 36.82 39.07 3klr h ILE 120 CO 0.02 0.57 0.19 0.50 -1.05 0.00 0.00 178.15 178.37 3klr h LYS 121 N 0.10 0.37 -0.51 0.16 3.64 -1.07 -0.25 116.57 119.01 3klr h LYS 121 Ca -0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3klr h LYS 121 Cb 1.04 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 3klr h LYS 121 CO 0.08 0.24 0.19 0.77 -2.27 0.00 0.00 179.45 178.46 3klr h SER 122 N 0.38 0.71 -0.66 4.20 0.02 -0.76 -1.52 113.55 115.92 3klr h SER 122 Ca 0.17 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3klr h SER 122 Cb 0.09 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 3klr h SER 122 CO -0.13 0.70 0.41 0.40 -1.14 0.00 0.00 176.83 177.08 3klr h ILE 123 N 0.68 1.19 0.00 3.27 2.04 -0.90 -3.03 117.51 120.76 3klr h ILE 123 Ca 0.17 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 3klr h ILE 123 Cb 0.22 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3klr h ILE 123 CO -0.01 0.19 -0.21 -0.33 0.00 0.00 0.00 178.15 177.79 3klr h GLU 124 N 0.90 0.00 0.00 2.37 5.08 -0.81 -3.51 114.58 118.61 3klr h GLU 124 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3klr h GLU 124 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3klr h GLU 124 CO -0.05 0.21 0.00 -1.91 -1.00 0.00 0.00 179.01 176.26