#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khp s ASP 4 N 0.00 6.20 0.55 4.38 -1.08 -1.26 -4.92 116.67 120.54 3khp s ASP 4 Ca 0.00 -1.16 0.40 0.00 -0.52 0.00 0.00 52.55 51.27 3khp s ASP 4 Cb 0.00 -2.33 1.59 0.00 -1.46 0.00 0.00 42.92 40.72 3khp s ASP 4 CO 0.00 -1.13 1.73 -0.65 0.52 0.00 0.00 175.17 175.64 3khp h PRO 5 N 9.22 0.00 -0.00 4.34 0.11 -1.99 0.18 132.00 143.86 3khp h PRO 5 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3khp h PRO 5 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3khp h PRO 5 CO 1.08 0.00 -0.06 0.09 -0.21 0.00 0.00 178.00 178.90 3khp n ASN 6 N -4.07 0.51 0.18 -2.05 3.02 -1.26 -3.60 115.26 107.99 3khp n ASN 6 Ca 0.30 -0.79 0.14 0.00 -0.03 0.00 0.00 54.58 54.21 3khp n ASN 6 Cb 1.46 -0.06 0.55 0.00 -0.61 0.00 0.00 39.78 41.12 3khp n ASN 6 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3khp h SER 7 N 0.69 0.00 -2.03 6.41 4.64 -0.94 -3.45 113.55 118.87 3khp h SER 7 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 3khp h SER 7 Cb 0.30 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.47 3khp h SER 7 CO 0.00 0.00 0.31 -0.38 -0.87 0.00 0.00 176.83 175.89 3khp n ILE 8 N -2.57 0.90 0.00 0.95 5.41 -1.24 -0.84 119.36 121.97 3khp n ILE 8 Ca 0.02 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.54 3khp n ILE 8 Cb 0.28 -0.92 0.00 0.00 -0.71 0.00 0.00 39.64 38.29 3khp n ILE 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3khp n GLY 9 N 2.03 1.57 3.77 7.39 0.00 -0.52 -5.01 105.19 114.41 3khp n GLY 9 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3khp n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khp s ALA 10 N -2.33 3.39 0.13 4.61 0.00 -0.02 -4.78 121.76 122.76 3khp s ALA 10 Ca 0.00 1.09 0.10 0.00 0.00 0.00 0.00 51.96 53.14 3khp s ALA 10 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 3khp s ALA 10 CO 0.00 -0.47 -0.23 0.14 0.00 0.00 0.00 175.76 175.20 3khp s VAL 11 N -1.21 1.99 0.51 0.00 -7.23 -1.26 -1.64 120.40 111.57 3khp s VAL 11 Ca 0.49 -1.72 -0.11 0.00 -1.81 0.00 0.00 61.98 58.83 3khp s VAL 11 Cb -0.35 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.72 3khp s VAL 11 CO 0.46 -0.05 0.90 0.42 -0.31 0.00 0.00 175.10 176.52 3khp s THR 12 N -1.30 4.74 0.48 5.32 -4.23 -0.14 -5.00 115.64 115.51 3khp s THR 12 Ca 0.12 0.73 -0.23 0.00 -1.18 0.00 0.00 61.69 61.14 3khp s THR 12 Cb -0.09 -3.80 -0.07 0.00 1.34 0.00 0.00 72.50 69.88 3khp s THR 12 CO 0.06 -0.81 1.22 -1.61 -0.54 0.00 0.00 174.62 172.94 3khp s GLU 13 N -4.47 3.59 0.16 3.99 0.41 -1.26 -4.45 118.70 116.66 3khp s GLU 13 Ca 0.53 1.91 -0.33 0.00 -0.41 0.00 0.00 54.97 56.67 3khp s GLU 13 Cb -0.10 -2.37 -0.17 0.00 -1.78 0.00 0.00 34.13 29.71 3khp s GLU 13 CO 0.41 -0.73 1.02 -2.30 -0.49 0.00 0.00 175.26 173.17 3khp n PRO 14 N -0.63 0.77 -4.43 0.39 -0.02 -1.26 -4.80 135.00 125.02 3khp n PRO 14 Ca 0.08 0.27 -0.20 0.00 -2.02 0.00 0.00 63.50 61.64 3khp n PRO 14 Cb 0.47 -1.67 -0.15 0.00 -0.02 0.00 0.00 33.50 32.14 3khp n PRO 14 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3khp s MET 15 N -0.52 0.85 -0.24 -0.52 1.75 0.18 -4.92 119.30 115.89 3khp s MET 15 Ca 0.73 -0.44 -0.14 0.00 -1.25 0.00 0.00 55.69 54.59 3khp s MET 15 Cb -0.92 -0.82 -0.04 0.00 2.84 0.00 0.00 34.83 35.88 3khp s MET 15 CO 0.54 0.22 0.34 -1.17 -0.65 0.00 0.00 175.02 174.30 3khp s LEU 16 N -0.40 4.10 -0.23 4.11 2.96 -1.26 0.78 118.68 128.73 3khp s LEU 16 Ca 0.03 0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 54.24 3khp s LEU 16 Cb -0.05 -2.40 -0.00 0.00 0.50 0.00 0.00 46.19 44.24 3khp s LEU 16 CO -0.00 -0.09 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.55 3khp s PHE 17 N 1.56 2.99 -0.06 5.38 0.08 -0.11 -4.99 117.98 122.84 3khp s PHE 17 Ca 0.15 -0.99 0.05 0.00 0.12 0.00 0.00 56.93 56.25 3khp s PHE 17 Cb -0.15 -2.12 -0.02 0.00 -0.57 0.00 0.00 43.02 40.17 3khp s PHE 17 CO 0.08 -0.57 -0.20 -1.21 -0.10 0.00 0.00 175.22 173.22 3khp s GLU 18 N 1.47 2.60 0.06 0.44 2.02 -1.26 -0.81 118.70 123.21 3khp s GLU 18 Ca 0.05 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.24 3khp s GLU 18 Cb -0.15 -2.28 -0.03 0.00 0.10 0.00 0.00 34.13 31.77 3khp s GLU 18 CO -0.03 0.46 -0.06 1.67 0.02 0.00 0.00 175.26 177.32 3khp s TRP 19 N -0.33 0.64 0.52 1.61 -2.14 1.00 -4.99 118.94 115.26 3khp s TRP 19 Ca 0.02 -0.74 0.03 0.00 2.66 0.00 0.00 56.10 58.08 3khp s TRP 19 Cb -0.13 -0.40 0.01 0.00 -3.10 0.00 0.00 33.47 29.85 3khp s TRP 19 CO 0.02 -0.17 0.20 0.95 -2.66 0.00 0.00 176.95 175.29 3khp s THR 20 N -2.55 1.45 0.48 0.66 -4.23 -1.26 -0.46 115.64 109.73 3khp s THR 20 Ca -0.01 -1.74 0.14 0.00 -1.18 0.00 0.00 61.69 58.90 3khp s THR 20 Cb -0.02 -2.19 0.23 0.00 1.34 0.00 0.00 72.50 71.85 3khp s THR 20 CO -0.03 0.00 2.07 -2.24 -0.54 0.00 0.00 174.62 173.87 3khp h ASP 21 N 1.07 0.04 -0.76 3.99 2.03 -1.93 -1.13 116.42 119.72 3khp h ASP 21 Ca -0.40 -0.00 0.07 0.00 -0.73 0.00 0.00 57.03 55.96 3khp h ASP 21 Cb 1.31 -0.01 -0.05 0.00 -0.83 0.00 0.00 39.33 39.75 3khp h ASP 21 CO 0.66 0.12 0.50 -0.09 -1.03 0.00 0.00 179.24 179.39 3khp h ARG 22 N 0.05 0.78 -0.23 4.15 2.43 -1.96 -0.76 114.38 118.83 3khp h ARG 22 Ca 0.01 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 3khp h ARG 22 Cb 0.15 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3khp h ARG 22 CO 0.01 0.51 -0.28 -0.44 -1.51 0.00 0.00 179.97 178.26 3khp h ASP 23 N 0.80 0.65 0.39 -3.80 3.32 -1.53 -1.49 116.42 114.76 3khp h ASP 23 Ca 0.33 -0.49 -0.16 0.00 0.02 0.00 0.00 57.03 56.72 3khp h ASP 23 Cb 0.26 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3khp h ASP 23 CO -0.11 1.01 -0.68 0.71 -1.72 0.00 0.00 179.24 178.45 3khp h THR 24 N 0.30 1.41 -0.22 0.35 1.35 -1.37 -0.79 112.91 113.93 3khp h THR 24 Ca 0.03 -2.13 -0.06 0.00 -0.55 0.00 0.00 66.41 63.70 3khp h THR 24 Cb 0.85 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 69.37 3khp h THR 24 CO 0.07 0.63 -0.08 -0.07 -0.25 0.00 0.00 175.52 175.82 3khp h LEU 25 N 0.18 0.46 -0.69 3.87 3.38 -1.18 -2.33 115.31 119.01 3khp h LEU 25 Ca -0.02 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 3khp h LEU 25 Cb 1.22 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 3khp h LEU 25 CO 0.11 0.74 0.34 0.25 0.09 0.00 0.00 178.44 179.97 3khp h LEU 26 N 0.17 0.89 -0.08 1.67 5.85 -1.21 -1.33 115.31 121.28 3khp h LEU 26 Ca 0.05 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.69 3khp h LEU 26 Cb 0.56 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3khp h LEU 26 CO 0.03 0.76 -0.21 0.22 -0.34 0.00 0.00 178.44 178.90 3khp h TYR 27 N 0.95 -0.54 -0.95 1.25 3.20 -1.15 0.52 116.97 120.25 3khp h TYR 27 Ca 0.24 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.17 3khp h TYR 27 Cb 0.10 0.25 -0.06 0.00 1.54 0.00 0.00 36.73 38.57 3khp h TYR 27 CO 0.00 -0.29 0.62 0.00 -1.64 0.00 0.00 178.16 176.85 3khp h ALA 28 N 0.67 1.27 -0.13 1.82 0.00 -1.11 0.15 119.26 121.93 3khp h ALA 28 Ca 0.08 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3khp h ALA 28 Cb 0.41 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3khp h ALA 28 CO -0.25 0.48 -0.50 0.82 0.00 0.00 0.00 179.25 179.80 3khp h ILE 29 N 1.18 1.34 -0.24 0.00 2.04 -1.07 -1.16 117.51 119.60 3khp h ILE 29 Ca 0.39 -1.73 -0.02 0.00 1.00 0.00 0.00 64.86 64.50 3khp h ILE 29 Cb 0.04 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 3khp h ILE 29 CO -0.13 0.52 0.06 1.23 0.00 0.00 0.00 178.15 179.83 3khp h GLY 30 N 1.25 0.36 -3.71 5.37 0.00 0.16 0.45 103.07 106.95 3khp h GLY 30 Ca 0.01 -0.17 -0.21 0.00 0.00 0.00 0.00 47.33 46.97 3khp h GLY 30 CO 0.08 0.16 0.27 3.33 0.00 0.00 0.00 176.54 180.38 3khp n VAL 31 N -4.40 2.92 -0.38 4.60 0.24 -0.22 -4.33 118.33 116.76 3khp n VAL 31 Ca 0.00 -1.59 0.00 0.00 -2.04 0.00 0.00 64.34 60.71 3khp n VAL 31 Cb 0.15 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 3khp n VAL 31 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3khp n GLY 32 N -0.10 0.75 3.78 7.63 0.00 0.15 -4.38 105.19 113.02 3khp n GLY 32 Ca 0.40 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 3khp n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khp s ALA 33 N -2.41 2.68 0.00 4.61 0.00 -0.47 -4.99 121.76 121.18 3khp s ALA 33 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.66 3khp s ALA 33 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3khp s ALA 33 CO 0.00 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.36 3khp n GLY 34 N -0.13 4.24 0.26 0.00 0.00 -1.26 -4.32 105.19 103.98 3khp n GLY 34 Ca 0.11 -0.78 0.15 0.00 0.00 0.00 0.00 46.02 45.50 3khp n GLY 34 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3khp h THR 35 N 0.00 0.17 0.00 2.61 1.35 -1.99 -0.19 112.91 114.85 3khp h THR 35 Ca 0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3khp h THR 35 Cb 0.00 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3khp h THR 35 CO 0.00 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 3khp n GLY 36 N 0.05 -0.91 2.35 5.82 0.00 -1.26 -4.17 105.19 107.07 3khp n GLY 36 Ca 0.00 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 3khp n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3khp n ASP 37 N -0.75 1.62 0.19 1.61 8.00 -0.08 -4.96 116.55 122.17 3khp n ASP 37 Ca 0.11 -3.15 0.03 0.00 0.71 0.00 0.00 54.79 52.49 3khp n ASP 37 Cb 0.05 -0.61 0.42 0.00 -0.02 0.00 0.00 41.12 40.96 3khp n ASP 37 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3khp h LEU 38 N 3.00 0.05 -2.06 0.64 3.38 -1.72 -1.19 115.31 117.41 3khp h LEU 38 Ca 0.11 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3khp h LEU 38 Cb 0.87 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3khp h LEU 38 CO 0.57 0.30 -0.07 0.00 0.09 0.00 0.00 178.44 179.33 3khp h ALA 39 N 1.70 1.61 0.00 1.53 0.00 -1.86 -1.02 119.26 121.22 3khp h ALA 39 Ca 0.01 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 3khp h ALA 39 Cb 0.47 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3khp h ALA 39 CO 0.03 0.09 -2.28 1.19 0.00 0.00 0.00 179.25 178.28 3khp n PHE 40 N -4.06 0.07 0.80 0.00 3.72 -0.54 -0.07 117.46 117.38 3khp n PHE 40 Ca -0.03 0.02 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 3khp n PHE 40 Cb 0.16 -0.94 -0.06 0.00 -0.94 0.00 0.00 39.48 37.70 3khp n PHE 40 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3khp n THR 41 N -2.69 0.00 -4.06 4.37 -2.24 -0.68 -4.48 114.28 104.49 3khp n THR 41 Ca -0.27 -0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.23 3khp n THR 41 Cb 1.06 1.08 -0.11 0.00 -2.10 0.00 0.00 70.33 70.26 3khp n THR 41 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3khp s THR 42 N -2.41 0.33 -0.07 4.28 -4.23 -0.39 -4.96 115.64 108.18 3khp s THR 42 Ca 0.10 -1.37 0.10 0.00 -1.18 0.00 0.00 61.69 59.33 3khp s THR 42 Cb 0.13 -0.93 -0.15 0.00 1.34 0.00 0.00 72.50 72.90 3khp s THR 42 CO 0.61 -0.68 0.12 -1.84 -0.54 0.00 0.00 174.62 172.29 3khp n GLU 43 N 0.87 1.53 -0.82 3.99 0.00 -1.26 -4.36 120.64 120.59 3khp n GLU 43 Ca -0.19 -0.04 0.06 0.00 0.00 0.00 0.00 57.16 56.98 3khp n GLU 43 Cb 0.58 -1.27 0.16 0.00 0.00 0.00 0.00 31.44 30.91 3khp n GLU 43 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 3khp n ASN 44 N -2.20 1.54 -4.74 -1.84 6.94 -1.26 -4.43 115.26 109.28 3khp n ASN 44 Ca -0.11 -3.45 -0.41 0.00 -0.02 0.00 0.00 54.58 50.59 3khp n ASN 44 Cb 0.63 -0.47 -0.04 0.00 -2.36 0.00 0.00 39.78 37.53 3khp n ASN 44 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 3khp s SER 45 N -2.94 7.43 -0.27 0.53 0.01 -1.26 -4.95 113.70 112.25 3khp s SER 45 Ca 0.37 1.93 -0.40 0.00 1.31 0.00 0.00 55.95 59.16 3khp s SER 45 Cb 0.37 -2.60 -0.15 0.00 0.21 0.00 0.00 66.02 63.86 3khp s SER 45 CO -0.09 -0.09 1.78 1.57 0.41 0.00 0.00 173.24 176.81 3khp n HIS 46 N 2.45 2.07 -0.77 2.43 -0.00 -1.26 -1.87 115.22 118.27 3khp n HIS 46 Ca 0.02 0.48 0.00 0.00 0.46 0.00 0.00 57.72 58.68 3khp n HIS 46 Cb 0.48 -2.48 0.00 0.00 -0.12 0.00 0.00 29.99 27.87 3khp n HIS 46 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3khp n GLY 47 N 4.33 0.69 2.76 1.57 0.00 -1.26 -5.01 105.19 108.27 3khp n GLY 47 Ca 0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 3khp n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khp s ILE 48 N -2.41 0.58 0.19 -0.61 1.01 -0.78 -5.11 121.20 114.07 3khp s ILE 48 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 3khp s ILE 48 Cb 0.00 -1.01 -0.08 0.00 0.01 0.00 0.00 42.46 41.38 3khp s ILE 48 CO 0.00 -0.12 1.03 -1.81 0.00 0.00 0.00 174.94 174.03 3khp s ASP 49 N 1.84 7.42 0.33 3.58 1.01 -1.26 -4.32 116.67 125.27 3khp s ASP 49 Ca -0.00 2.01 -0.29 0.00 0.71 0.00 0.00 52.55 54.98 3khp s ASP 49 Cb -0.16 -2.61 -0.11 0.00 1.01 0.00 0.00 42.92 41.05 3khp s ASP 49 CO -0.07 -0.07 1.55 -1.58 0.21 0.00 0.00 175.17 175.21 3khp s GLN 50 N -0.65 4.11 0.11 8.23 0.74 -1.26 -4.77 119.66 126.17 3khp s GLN 50 Ca 0.46 2.59 0.09 0.00 0.05 0.00 0.00 55.36 58.55 3khp s GLN 50 Cb -0.27 -2.99 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 3khp s GLN 50 CO 0.34 -0.60 -0.21 -0.65 -0.55 0.00 0.00 175.29 173.62 3khp s GLN 51 N -1.21 1.71 -0.22 1.67 -0.21 0.89 -4.87 119.66 117.42 3khp s GLN 51 Ca 0.59 -1.20 -0.09 0.00 0.02 0.00 0.00 55.36 54.67 3khp s GLN 51 Cb -0.48 -2.06 -0.04 0.00 1.00 0.00 0.00 33.01 31.43 3khp s GLN 51 CO 0.55 0.48 0.12 0.08 -2.12 0.00 0.00 175.29 174.40 3khp s VAL 52 N -1.09 5.04 0.25 1.09 1.01 -1.26 -4.38 120.40 121.07 3khp s VAL 52 Ca 0.16 0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.90 3khp s VAL 52 Cb -0.10 -3.33 -0.13 0.00 0.00 0.00 0.00 36.38 32.82 3khp s VAL 52 CO 0.08 0.38 1.50 0.18 0.00 0.00 0.00 175.10 177.24 3khp n LEU 53 N 4.15 3.57 0.25 3.92 4.77 -1.26 -4.71 117.00 127.69 3khp n LEU 53 Ca -0.16 1.14 0.11 0.00 -0.03 0.00 0.00 56.01 57.07 3khp n LEU 53 Cb 0.52 -1.49 0.64 0.00 -2.33 0.00 0.00 43.42 40.76 3khp n LEU 53 CO 0.35 -0.23 0.92 1.55 -1.33 0.00 0.00 177.39 178.65 3khp h PRO 54 N 4.61 0.00 0.00 3.23 0.13 -1.92 -0.39 132.00 137.66 3khp h PRO 54 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3khp h PRO 54 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3khp h PRO 54 CO 0.78 0.16 0.00 0.25 -0.23 0.00 0.00 178.00 178.96 3khp n THR 55 N -3.63 1.30 0.24 1.56 -2.24 -1.26 -1.62 114.28 108.63 3khp n THR 55 Ca -0.01 0.33 0.15 0.00 -2.27 0.00 0.00 64.05 62.24 3khp n THR 55 Cb 0.29 -1.22 0.76 0.00 -2.10 0.00 0.00 70.33 68.06 3khp n THR 55 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3khp h TYR 56 N 0.00 0.00 -0.79 4.78 3.20 -1.42 -2.19 116.97 120.55 3khp h TYR 56 Ca 0.00 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.01 3khp h TYR 56 Cb 0.09 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.30 3khp h TYR 56 CO 0.00 0.00 0.52 0.00 -1.64 0.00 0.00 178.16 177.04 3khp h ALA 57 N 2.03 2.00 0.00 1.82 0.00 -1.53 -0.62 119.26 122.95 3khp h ALA 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3khp h ALA 57 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3khp h ALA 57 CO 0.00 -0.20 0.00 1.33 0.00 0.00 0.00 179.25 180.38 3khp n VAL 58 N -4.50 1.08 -0.13 0.00 0.24 -0.82 -0.21 118.33 113.98 3khp n VAL 58 Ca 0.15 0.40 -0.25 0.00 -2.04 0.00 0.00 64.34 62.60 3khp n VAL 58 Cb 0.49 -1.32 -0.11 0.00 -1.47 0.00 0.00 33.84 31.43 3khp n VAL 58 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3khp n ILE 59 N -1.99 1.52 1.24 1.34 2.08 -0.29 -4.20 119.36 119.06 3khp n ILE 59 Ca 0.01 -0.45 0.13 0.00 0.56 0.00 0.00 62.75 63.00 3khp n ILE 59 Cb 0.14 -1.71 0.35 0.00 -0.75 0.00 0.00 39.64 37.66 3khp n ILE 59 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3khp s PRO 62 N -2.75 4.42 0.00 0.00 0.04 -1.26 -4.68 135.00 130.77 3khp s PRO 62 Ca 0.36 1.76 0.30 0.00 0.04 0.00 0.00 61.00 63.46 3khp s PRO 62 Cb 0.39 -3.39 1.54 0.00 0.04 0.00 0.00 34.50 33.08 3khp s PRO 62 CO -0.04 -0.29 2.06 0.00 0.04 0.00 0.00 177.00 178.77 3khp n ALA 63 N 4.18 2.52 0.21 8.56 0.00 -1.26 -4.18 120.51 130.53 3khp n ALA 63 Ca 0.09 -0.15 0.06 0.00 0.00 0.00 0.00 53.44 53.44 3khp n ALA 63 Cb 0.46 -1.48 0.45 0.00 0.00 0.00 0.00 19.45 18.88 3khp n ALA 63 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3khp h PHE 64 N 0.03 0.00 -0.28 0.00 0.04 -1.91 -2.85 116.94 111.96 3khp h PHE 64 Ca 0.00 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.85 3khp h PHE 64 Cb 0.27 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 3khp h PHE 64 CO 0.00 0.30 0.41 0.78 -0.60 0.00 0.00 178.31 179.21 3khp h GLY 65 N 1.42 0.00 1.99 -1.45 0.00 -1.98 -1.16 103.07 101.90 3khp h GLY 65 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3khp h GLY 65 CO 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.57 3khp h ALA 66 N 1.43 1.00 -0.46 3.60 0.00 -1.82 -3.31 119.26 119.70 3khp h ALA 66 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3khp h ALA 66 Cb 0.96 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3khp h ALA 66 CO -0.00 0.00 0.27 0.00 0.00 0.00 0.00 179.25 179.52 3khp h ALA 67 N 2.43 0.58 -0.10 0.00 0.00 -1.41 -1.83 119.26 118.93 3khp h ALA 67 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3khp h ALA 67 Cb 0.78 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3khp h ALA 67 CO 0.00 -0.05 0.33 0.00 0.00 0.00 0.00 179.25 179.53 3khp h ALA 68 N 1.21 1.52 0.00 0.00 0.00 -1.75 0.28 119.26 120.51 3khp h ALA 68 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3khp h ALA 68 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3khp h ALA 68 CO -0.09 -0.38 0.00 0.87 0.00 0.00 0.00 179.25 179.65 3khp h LYS 69 N 0.00 0.00 0.00 0.00 1.79 -1.56 -3.53 116.57 113.27 3khp h LYS 69 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3khp h LYS 69 Cb 0.70 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 3khp h LYS 69 CO -0.00 0.00 0.00 0.28 -1.08 0.00 0.00 179.45 178.65 3khp n VAL 70 N -2.47 0.00 0.00 0.50 0.31 0.96 -4.80 118.33 112.83 3khp n VAL 70 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 3khp n VAL 70 Cb 0.42 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 3khp n VAL 70 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3khp n ALA 76 N -2.50 0.00 -2.21 3.52 0.00 -1.26 -4.62 120.51 113.43 3khp n ALA 76 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3khp n ALA 76 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3khp n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3khp s ALA 77 N 0.00 3.28 -0.08 0.00 0.00 -1.26 -5.01 121.76 118.69 3khp s ALA 77 Ca 0.00 0.53 0.04 0.00 0.00 0.00 0.00 51.96 52.54 3khp s ALA 77 Cb 0.00 -3.22 -0.24 0.00 0.00 0.00 0.00 23.12 19.66 3khp s ALA 77 CO 0.00 0.03 0.50 -0.11 0.00 0.00 0.00 175.76 176.18 3khp n LEU 78 N 2.59 1.64 -4.56 0.00 0.00 -1.26 -4.17 117.00 111.23 3khp n LEU 78 Ca 0.01 0.30 -0.44 0.00 0.00 0.00 0.00 56.01 55.88 3khp n LEU 78 Cb 0.49 -0.39 -0.01 0.00 0.00 0.00 0.00 43.42 43.51 3khp n LEU 78 CO 0.50 0.60 0.47 0.18 0.00 0.00 0.00 177.39 179.14 3khp n LEU 79 N -3.22 1.48 0.00 -1.96 7.99 -1.26 0.14 117.00 120.17 3khp n LEU 79 Ca -0.24 1.12 0.00 0.00 -0.01 0.00 0.00 56.01 56.88 3khp n LEU 79 Cb 1.05 -1.25 0.00 0.00 -0.11 0.00 0.00 43.42 43.11 3khp n LEU 79 CO 0.44 -1.70 0.00 0.00 -1.51 0.00 0.00 177.39 174.62 3khp n HIS 80 N -0.03 0.00 -0.60 -1.77 1.44 0.06 -4.69 115.22 109.63 3khp n HIS 80 Ca 0.10 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.81 3khp n HIS 80 Cb 0.33 -0.06 0.00 0.00 0.12 0.00 0.00 29.99 30.39 3khp n HIS 80 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3khp n GLY 81 N -0.52 -1.16 3.34 -1.39 0.00 0.38 -4.63 105.19 101.21 3khp n GLY 81 Ca 0.00 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 3khp n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3khp s SER 82 N -1.06 -0.10 -0.09 1.61 0.01 -0.22 -0.41 113.70 113.43 3khp s SER 82 Ca 0.00 -0.54 -0.07 0.00 1.31 0.00 0.00 55.95 56.65 3khp s SER 82 Cb 0.00 0.46 0.03 0.00 0.21 0.00 0.00 66.02 66.72 3khp s SER 82 CO 0.00 -0.88 0.23 -1.58 0.41 0.00 0.00 173.24 171.43 3khp s GLN 83 N -3.87 0.23 0.09 12.44 2.00 -0.43 -1.09 119.66 129.03 3khp s GLN 83 Ca 0.08 0.41 0.07 0.00 -2.00 0.00 0.00 55.36 53.92 3khp s GLN 83 Cb 0.02 0.01 -0.03 0.00 0.80 0.00 0.00 33.01 33.81 3khp s GLN 83 CO -0.07 -0.10 -0.19 0.20 -0.50 0.00 0.00 175.29 174.63 3khp s GLY 84 N 0.67 1.13 0.06 2.59 0.00 0.12 -1.39 107.32 110.51 3khp s GLY 84 Ca -0.04 -1.18 0.01 0.00 0.00 0.00 0.00 44.72 43.51 3khp s GLY 84 CO -0.04 -1.19 -0.06 -0.26 0.00 0.00 0.00 173.10 171.55 3khp s ILE 85 N -1.21 0.53 -0.09 0.90 -4.36 0.35 -1.83 121.20 115.49 3khp s ILE 85 Ca 0.04 -1.48 -0.04 0.00 -0.26 0.00 0.00 60.65 58.92 3khp s ILE 85 Cb -0.10 -1.10 0.05 0.00 1.25 0.00 0.00 42.46 42.56 3khp s ILE 85 CO 0.04 -0.65 0.18 -0.60 0.24 0.00 0.00 174.94 174.15 3khp s ARG 86 N -2.70 0.09 -0.08 0.37 3.52 -0.67 -1.86 118.95 117.61 3khp s ARG 86 Ca -0.00 0.52 -0.01 0.00 -0.13 0.00 0.00 55.73 56.11 3khp s ARG 86 Cb -0.02 -0.19 -0.03 0.00 -1.56 0.00 0.00 34.95 33.15 3khp s ARG 86 CO -0.03 -0.24 -0.02 -0.51 -0.81 0.00 0.00 175.30 173.69 3khp s LEU 87 N 1.79 3.43 0.00 -0.88 2.01 0.42 -1.65 118.68 123.80 3khp s LEU 87 Ca -0.03 0.08 0.14 0.00 0.01 0.00 0.00 54.13 54.33 3khp s LEU 87 Cb -0.12 -1.77 -0.07 0.00 0.01 0.00 0.00 46.19 44.24 3khp s LEU 87 CO -0.07 0.37 0.71 1.41 1.01 0.00 0.00 176.35 179.78 3khp n HIS 88 N 2.22 0.00 -3.65 0.29 8.25 -0.33 -4.82 115.22 117.18 3khp n HIS 88 Ca -0.18 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.18 3khp n HIS 88 Cb 0.53 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.62 3khp n HIS 88 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3khp s ALA 89 N -2.00 -1.33 0.53 -1.41 0.00 -1.26 -5.02 121.76 111.28 3khp s ALA 89 Ca 0.09 0.04 -0.21 0.00 0.00 0.00 0.00 51.96 51.88 3khp s ALA 89 Cb 0.11 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 24.05 3khp s ALA 89 CO 0.45 -0.88 1.24 -2.14 0.00 0.00 0.00 175.76 174.43 3khp s PRO 90 N -3.84 3.29 0.03 0.00 0.02 -1.26 -4.98 135.00 128.26 3khp s PRO 90 Ca 0.06 1.94 -0.28 0.00 0.02 0.00 0.00 61.00 62.75 3khp s PRO 90 Cb -0.03 -2.20 -0.04 0.00 0.02 0.00 0.00 34.50 32.25 3khp s PRO 90 CO -0.03 -0.98 0.87 -0.51 -0.33 0.00 0.00 177.00 176.02 3khp s LEU 91 N -3.54 4.42 0.46 -5.54 1.43 -1.26 -5.04 118.68 109.60 3khp s LEU 91 Ca 0.71 1.56 -0.20 0.00 -1.03 0.00 0.00 54.13 55.17 3khp s LEU 91 Cb -0.33 -3.40 -0.10 0.00 0.03 0.00 0.00 46.19 42.39 3khp s LEU 91 CO 0.38 -0.11 0.96 -2.16 0.23 0.00 0.00 176.35 175.65 3khp s PRO 92 N 0.43 4.14 0.25 1.29 0.04 -1.26 -4.28 135.00 135.60 3khp s PRO 92 Ca 0.45 1.08 -0.04 0.00 0.04 0.00 0.00 61.00 62.52 3khp s PRO 92 Cb -0.21 -2.17 0.47 0.00 0.04 0.00 0.00 34.50 32.64 3khp s PRO 92 CO 0.25 -0.11 1.71 0.00 0.04 0.00 0.00 177.00 178.89 3khp h ALA 93 N 1.61 1.03 -4.18 8.56 0.00 -1.95 -3.39 119.26 120.94 3khp h ALA 93 Ca -0.48 0.14 -0.64 0.00 0.00 0.00 0.00 54.91 53.93 3khp h ALA 93 Cb 1.18 0.16 -0.26 0.00 0.00 0.00 0.00 17.79 18.87 3khp h ALA 93 CO 0.61 -0.28 -0.86 0.00 0.00 0.00 0.00 179.25 178.72 3khp s ALA 94 N -6.02 2.03 0.00 0.00 0.00 -1.26 -3.26 121.76 113.24 3khp s ALA 94 Ca -0.12 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.66 3khp s ALA 94 Cb 0.21 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3khp s ALA 94 CO 0.76 0.47 0.00 0.41 0.00 0.00 0.00 175.76 177.40 3khp n GLY 95 N 1.79 -0.53 3.41 0.00 0.00 0.39 -4.97 105.19 105.27 3khp n GLY 95 Ca -0.17 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 3khp n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3khp s LYS 96 N -1.17 1.21 -0.00 1.61 -2.85 -1.26 -0.00 119.74 117.28 3khp s LYS 96 Ca 0.00 -0.43 -0.02 0.00 -1.00 0.00 0.00 55.97 54.52 3khp s LYS 96 Cb 0.00 0.56 -0.00 0.00 -2.06 0.00 0.00 37.83 36.32 3khp s LYS 96 CO 0.00 -0.51 0.03 -0.51 0.10 0.00 0.00 175.35 174.46 3khp s LEU 97 N -2.58 1.94 -0.21 2.77 1.43 0.01 -4.48 118.68 117.56 3khp s LEU 97 Ca -0.00 -0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 52.76 3khp s LEU 97 Cb -0.00 0.20 -0.03 0.00 0.03 0.00 0.00 46.19 46.38 3khp s LEU 97 CO -0.10 -0.16 0.50 -0.55 0.23 0.00 0.00 176.35 176.27 3khp s SER 98 N -0.67 6.53 -0.07 2.29 0.15 0.11 -0.93 113.70 121.10 3khp s SER 98 Ca -0.07 0.64 0.05 0.00 0.70 0.00 0.00 55.95 57.26 3khp s SER 98 Cb -0.05 -2.28 -0.01 0.00 -1.71 0.00 0.00 66.02 61.97 3khp s SER 98 CO -0.00 -0.18 -0.23 -0.69 1.20 0.00 0.00 173.24 173.34 3khp s VAL 99 N 1.69 2.21 0.01 4.45 1.01 0.23 -0.11 120.40 129.90 3khp s VAL 99 Ca 0.23 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3khp s VAL 99 Cb -0.15 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 3khp s VAL 99 CO 0.09 0.57 -0.17 -0.69 0.00 0.00 0.00 175.10 174.90 3khp s VAL 100 N -0.09 1.38 0.09 2.92 1.01 -0.05 -0.65 120.40 125.02 3khp s VAL 100 Ca -0.05 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.11 3khp s VAL 100 Cb -0.14 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 3khp s VAL 100 CO 0.04 0.26 -0.21 0.42 0.00 0.00 0.00 175.10 175.61 3khp s THR 101 N -0.59 1.75 0.05 3.92 -4.23 -1.26 0.36 115.64 115.65 3khp s THR 101 Ca 0.06 -1.49 0.05 0.00 -1.18 0.00 0.00 61.69 59.14 3khp s THR 101 Cb -0.07 -1.57 -0.03 0.00 1.34 0.00 0.00 72.50 72.17 3khp s THR 101 CO 0.00 0.01 -0.15 -0.70 -0.54 0.00 0.00 174.62 173.24 3khp s GLU 102 N -1.76 0.97 -0.65 3.99 2.12 -0.31 -0.97 118.70 122.09 3khp s GLU 102 Ca 0.07 -0.86 -0.28 0.00 0.36 0.00 0.00 54.97 54.26 3khp s GLU 102 Cb -0.10 -1.01 0.03 0.00 0.26 0.00 0.00 34.13 33.31 3khp s GLU 102 CO 0.04 0.24 1.26 0.08 -0.54 0.00 0.00 175.26 176.34 3khp s VAL 103 N -0.98 3.86 0.14 3.70 1.01 -0.65 -0.77 120.40 126.70 3khp s VAL 103 Ca 0.02 0.66 0.05 0.00 0.00 0.00 0.00 61.98 62.70 3khp s VAL 103 Cb -0.09 -4.78 -0.19 0.00 0.00 0.00 0.00 36.38 31.33 3khp s VAL 103 CO 0.02 -1.55 1.32 0.00 0.00 0.00 0.00 175.10 174.89 3khp h ALA 104 N 9.96 0.42 -1.72 5.51 0.00 -0.31 -1.37 119.26 131.75 3khp h ALA 104 Ca -0.26 -0.83 0.05 0.00 0.00 0.00 0.00 54.91 53.87 3khp h ALA 104 Cb 1.06 -0.11 -0.21 0.00 0.00 0.00 0.00 17.79 18.52 3khp h ALA 104 CO 1.23 1.09 0.46 0.34 0.00 0.00 0.00 179.25 182.37 3khp s ASP 105 N -6.83 -0.43 -0.05 0.00 2.15 -1.10 -4.85 116.67 105.56 3khp s ASP 105 Ca -0.01 0.44 0.01 0.00 0.43 0.00 0.00 52.55 53.42 3khp s ASP 105 Cb 0.10 0.36 0.02 0.00 -0.30 0.00 0.00 42.92 43.10 3khp s ASP 105 CO 0.82 -0.43 -0.04 -0.63 -0.17 0.00 0.00 175.17 174.72 3khp s ILE 106 N -1.31 0.58 0.04 4.11 1.01 -1.26 -1.20 121.20 123.18 3khp s ILE 106 Ca -0.03 -0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.58 3khp s ILE 106 Cb -0.00 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.82 3khp s ILE 106 CO 0.02 0.25 -0.21 -1.10 0.00 0.00 0.00 174.94 173.90 3khp s GLN 107 N 1.11 1.97 -0.04 2.79 -0.21 0.60 -4.88 119.66 121.01 3khp s GLN 107 Ca -0.08 -1.03 -0.01 0.00 0.02 0.00 0.00 55.36 54.26 3khp s GLN 107 Cb -0.14 -2.11 0.03 0.00 1.00 0.00 0.00 33.01 31.79 3khp s GLN 107 CO -0.01 0.53 0.06 0.34 -2.12 0.00 0.00 175.29 174.09 3khp s ASP 108 N -1.36 0.74 -0.16 5.90 2.15 -1.26 -1.73 116.67 120.95 3khp s ASP 108 Ca 0.13 0.09 -0.09 0.00 0.43 0.00 0.00 52.55 53.12 3khp s ASP 108 Cb -0.10 -0.08 0.06 0.00 -0.30 0.00 0.00 42.92 42.49 3khp s ASP 108 CO 0.04 -0.21 0.39 -0.54 -0.17 0.00 0.00 175.17 174.68 3khp s LYS 109 N 1.81 0.37 0.00 4.34 3.01 -1.26 -4.05 119.74 123.96 3khp s LYS 109 Ca 0.00 0.77 -0.05 0.00 -1.01 0.00 0.00 55.97 55.68 3khp s LYS 109 Cb -0.12 -0.03 0.02 0.00 -1.01 0.00 0.00 37.83 36.68 3khp s LYS 109 CO -0.03 -0.16 0.21 0.41 0.51 0.00 0.00 175.35 176.29 3khp n GLY 110 N 4.27 0.69 3.48 -3.33 0.00 -1.26 -4.18 105.19 104.87 3khp n GLY 110 Ca -0.23 -0.89 -0.45 0.00 0.00 0.00 0.00 46.02 44.45 3khp n GLY 110 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3khp n GLU 111 N -0.15 0.80 0.00 1.61 -0.58 -1.26 -5.33 120.64 115.73 3khp n GLU 111 Ca 0.01 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 3khp n GLU 111 Cb 0.10 -2.49 0.00 0.00 -0.57 0.00 0.00 31.44 28.48 3khp n GLU 111 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3khp n ALA 115 N 11.64 0.00 -3.68 0.62 0.00 -1.26 -5.27 120.51 122.56 3khp n ALA 115 Ca 0.46 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.71 3khp n ALA 115 Cb 0.27 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.54 3khp n ALA 115 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3khp s ILE 116 N 0.00 -0.14 -0.19 0.00 1.01 -0.71 -1.62 121.20 119.55 3khp s ILE 116 Ca 0.00 0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.99 3khp s ILE 116 Cb 0.00 -0.18 -0.03 0.00 0.01 0.00 0.00 42.46 42.26 3khp s ILE 116 CO 0.00 0.17 0.01 -0.69 0.00 0.00 0.00 174.94 174.43 3khp s VAL 117 N 2.12 4.15 -0.26 2.92 1.01 -0.17 -0.29 120.40 129.89 3khp s VAL 117 Ca 0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 3khp s VAL 117 Cb -0.12 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.40 3khp s VAL 117 CO -0.04 0.44 -0.02 -0.69 0.00 0.00 0.00 175.10 174.80 3khp s VAL 118 N 0.79 3.29 -0.06 2.92 1.01 -0.34 0.40 120.40 128.41 3khp s VAL 118 Ca 0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 3khp s VAL 118 Cb -0.14 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 3khp s VAL 118 CO 0.02 0.20 0.01 -0.76 0.00 0.00 0.00 175.10 174.57 3khp s LEU 119 N 1.40 3.60 0.11 3.92 1.43 0.28 0.48 118.68 129.90 3khp s LEU 119 Ca 0.02 0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.33 3khp s LEU 119 Cb -0.16 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 3khp s LEU 119 CO -0.02 0.35 -0.23 -0.60 0.23 0.00 0.00 176.35 176.07 3khp s ARG 120 N -1.09 1.26 0.01 1.70 3.52 0.05 -0.91 118.95 123.48 3khp s ARG 120 Ca 0.15 -1.22 0.03 0.00 -0.13 0.00 0.00 55.73 54.55 3khp s ARG 120 Cb -0.11 -1.61 -0.01 0.00 -1.56 0.00 0.00 34.95 31.66 3khp s ARG 120 CO 0.05 0.38 -0.08 0.20 -0.81 0.00 0.00 175.30 175.04 3khp s GLY 121 N -1.92 0.43 -0.08 8.12 0.00 0.45 -1.16 107.32 113.16 3khp s GLY 121 Ca 0.10 -0.44 0.02 0.00 0.00 0.00 0.00 44.72 44.40 3khp s GLY 121 CO 0.05 -0.40 -0.12 0.50 0.00 0.00 0.00 173.10 173.13 3khp s ARG 122 N -0.48 1.74 -0.18 2.90 0.52 0.16 -1.41 118.95 122.19 3khp s ARG 122 Ca 0.01 -0.40 -0.01 0.00 -0.52 0.00 0.00 55.73 54.81 3khp s ARG 122 Cb -0.04 -1.51 0.00 0.00 0.52 0.00 0.00 34.95 33.92 3khp s ARG 122 CO -0.00 -0.04 -0.13 0.20 0.02 0.00 0.00 175.30 175.34 3khp s GLY 123 N 0.91 1.49 -0.02 -3.53 0.00 0.16 -0.87 107.32 105.46 3khp s GLY 123 Ca -0.10 -1.14 0.04 0.00 0.00 0.00 0.00 44.72 43.52 3khp s GLY 123 CO 0.01 0.24 -0.13 0.00 0.00 0.00 0.00 173.10 173.22 3khp s ASP 125 N -1.01 6.39 0.30 0.00 -1.08 0.93 0.03 116.67 122.22 3khp s ASP 125 Ca 0.13 2.65 0.26 0.00 -0.52 0.00 0.00 52.55 55.07 3khp s ASP 125 Cb -0.11 -2.53 0.84 0.00 -1.46 0.00 0.00 42.92 39.66 3khp s ASP 125 CO 0.03 -1.11 1.75 -0.65 0.52 0.00 0.00 175.17 175.71 3khp h PRO 126 N 10.88 0.00 0.41 4.34 0.11 -1.88 0.49 132.00 146.35 3khp h PRO 126 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3khp h PRO 126 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3khp h PRO 126 CO 0.94 0.00 -0.20 0.93 -0.21 0.00 0.00 178.00 179.46 3khp h GLU 127 N 0.00 -0.53 0.00 1.05 3.07 -1.94 -3.35 114.58 112.87 3khp h GLU 127 Ca 0.00 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3khp h GLU 127 Cb 0.66 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 3khp h GLU 127 CO 0.00 -0.35 -0.42 0.66 -1.40 0.00 0.00 179.01 177.50 3khp h SER 128 N -0.99 0.00 0.00 1.42 4.64 -1.98 -3.47 113.55 113.17 3khp h SER 128 Ca -0.06 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3khp h SER 128 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3khp h SER 128 CO 0.09 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 3khp n GLY 129 N 1.28 0.44 3.77 -0.77 0.00 0.17 -5.00 105.19 105.09 3khp n GLY 129 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 3khp n GLY 129 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3khp s SER 130 N -2.32 6.75 -0.12 1.61 0.15 -1.20 -4.66 113.70 113.91 3khp s SER 130 Ca 0.00 2.29 -0.29 0.00 0.70 0.00 0.00 55.95 58.64 3khp s SER 130 Cb 0.00 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 3khp s SER 130 CO 0.00 -0.51 1.53 -0.22 1.20 0.00 0.00 173.24 175.24 3khp s LEU 131 N -2.24 4.19 -0.20 3.45 2.96 -1.26 -0.05 118.68 125.53 3khp s LEU 131 Ca 0.54 1.94 -0.05 0.00 -0.22 0.00 0.00 54.13 56.34 3khp s LEU 131 Cb -0.30 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 42.75 3khp s LEU 131 CO 0.38 -0.94 -0.22 0.52 -1.32 0.00 0.00 176.35 174.77 3khp n VAL 132 N 5.64 1.11 -4.09 1.68 0.31 0.11 -4.68 118.33 118.41 3khp n VAL 132 Ca 0.16 -0.35 -0.15 0.00 -0.01 0.00 0.00 64.34 64.00 3khp n VAL 132 Cb 0.44 -1.49 -0.14 0.00 -0.91 0.00 0.00 33.84 31.74 3khp n VAL 132 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3khp s ALA 133 N -2.38 0.34 0.02 3.52 0.00 -0.72 -1.19 121.76 121.35 3khp s ALA 133 Ca -0.27 -0.20 0.07 0.00 0.00 0.00 0.00 51.96 51.55 3khp s ALA 133 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 3khp s ALA 133 CO 0.40 0.08 -0.21 -1.21 0.00 0.00 0.00 175.76 174.82 3khp s GLU 134 N -0.17 1.54 0.04 0.00 2.02 -0.66 0.37 118.70 121.83 3khp s GLU 134 Ca 0.01 -0.86 0.02 0.00 0.02 0.00 0.00 54.97 54.16 3khp s GLU 134 Cb -0.02 -1.58 -0.02 0.00 0.10 0.00 0.00 34.13 32.61 3khp s GLU 134 CO -0.00 0.42 -0.07 0.95 0.02 0.00 0.00 175.26 176.57 3khp s THR 135 N -0.66 0.50 -0.20 3.63 -4.23 -0.50 -1.68 115.64 112.50 3khp s THR 135 Ca 0.08 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.60 3khp s THR 135 Cb -0.08 -0.55 0.06 0.00 1.34 0.00 0.00 72.50 73.26 3khp s THR 135 CO 0.01 -0.33 -0.00 -0.22 -0.54 0.00 0.00 174.62 173.53 3khp s LEU 136 N -1.41 1.58 -0.24 4.79 2.96 -0.76 -0.41 118.68 125.18 3khp s LEU 136 Ca -0.09 -0.86 -0.02 0.00 -0.22 0.00 0.00 54.13 52.94 3khp s LEU 136 Cb -0.09 -0.78 0.02 0.00 0.50 0.00 0.00 46.19 45.84 3khp s LEU 136 CO 0.00 -0.27 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.82 3khp s THR 137 N 1.71 2.92 -0.31 3.68 2.01 -0.09 0.14 115.64 125.71 3khp s THR 137 Ca -0.02 -0.96 -0.10 0.00 0.31 0.00 0.00 61.69 60.92 3khp s THR 137 Cb -0.17 -2.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.86 3khp s THR 137 CO -0.07 0.23 0.17 -0.89 -0.69 0.00 0.00 174.62 173.36 3khp s THR 138 N 1.34 4.82 -0.23 -0.82 2.01 -0.25 -0.56 115.64 121.96 3khp s THR 138 Ca 0.01 -0.27 -0.09 0.00 0.31 0.00 0.00 61.69 61.65 3khp s THR 138 Cb -0.16 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 3khp s THR 138 CO -0.04 0.10 0.12 -0.76 -0.69 0.00 0.00 174.62 173.35 3khp s LEU 139 N 1.66 3.96 -0.22 4.42 1.43 0.16 -1.06 118.68 129.04 3khp s LEU 139 Ca 0.05 0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.17 3khp s LEU 139 Cb -0.17 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 3khp s LEU 139 CO 0.08 0.08 0.01 -0.69 0.23 0.00 0.00 176.35 176.06 3khp s VAL 140 N 0.94 3.94 0.00 -1.59 1.01 -1.26 -1.00 120.40 122.45 3khp s VAL 140 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3khp s VAL 140 Cb -0.13 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.45 3khp s VAL 140 CO 0.03 0.41 0.00 0.00 0.00 0.00 0.00 175.10 175.54 3khp n LEU 141 N 4.50 0.00 0.00 3.92 -0.00 -0.64 -4.76 117.00 120.02 3khp n LEU 141 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 3khp n LEU 141 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 3khp n LEU 141 CO 0.31 0.02 0.00 0.61 -0.00 0.00 0.00 177.39 178.32 3khp n GLY 152 N 0.00 0.50 3.54 1.47 0.00 -1.26 -4.16 105.19 105.28 3khp n GLY 152 Ca 0.00 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 3khp n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3khp s GLU 153 N 0.00 3.21 0.18 1.61 2.02 -1.26 -5.03 118.70 119.43 3khp s GLU 153 Ca 0.00 -0.54 -0.28 0.00 0.02 0.00 0.00 54.97 54.17 3khp s GLU 153 Cb 0.00 -2.74 -0.08 0.00 0.10 0.00 0.00 34.13 31.41 3khp s GLU 153 CO 0.00 0.45 0.89 -0.98 0.02 0.00 0.00 175.26 175.64 3khp s ARG 154 N -0.22 4.73 0.72 1.61 1.04 -1.26 -5.05 118.95 120.51 3khp s ARG 154 Ca 0.03 1.36 -0.11 0.00 -1.04 0.00 0.00 55.73 55.98 3khp s ARG 154 Cb -0.13 -3.30 0.02 0.00 -2.04 0.00 0.00 34.95 29.50 3khp s ARG 154 CO 0.03 0.46 1.07 -1.25 -0.04 0.00 0.00 175.30 175.57 3khp s PRO 155 N -0.87 2.75 0.14 3.89 0.05 -1.26 -4.93 135.00 134.78 3khp s PRO 155 Ca 0.41 0.80 -0.32 0.00 0.05 0.00 0.00 61.00 61.93 3khp s PRO 155 Cb -0.24 -1.98 -0.12 0.00 0.05 0.00 0.00 34.50 32.21 3khp s PRO 155 CO 0.29 -1.19 1.78 0.00 0.05 0.00 0.00 177.00 177.93 3khp n ALA 156 N -3.17 2.24 -1.85 8.56 0.00 -1.26 -4.97 120.51 120.06 3khp n ALA 156 Ca 0.07 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.46 3khp n ALA 156 Cb 0.55 -2.54 -0.05 0.00 0.00 0.00 0.00 19.45 17.41 3khp n ALA 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3khp s ALA 157 N 2.12 3.36 0.63 0.00 0.00 -1.26 -5.03 121.76 121.59 3khp s ALA 157 Ca 0.80 0.76 -0.16 0.00 0.00 0.00 0.00 51.96 53.36 3khp s ALA 157 Cb -0.52 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.30 3khp s ALA 157 CO 0.36 -0.03 1.11 -2.14 0.00 0.00 0.00 175.76 175.07 3khp s PRO 158 N -1.03 2.93 -0.18 0.00 0.02 -1.26 -4.99 135.00 130.48 3khp s PRO 158 Ca 0.44 1.43 -0.16 0.00 0.02 0.00 0.00 61.00 62.74 3khp s PRO 158 Cb -0.29 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.23 3khp s PRO 158 CO 0.36 -1.16 0.39 -1.21 -0.33 0.00 0.00 177.00 175.06 3khp s GLU 159 N -3.93 4.22 -0.22 5.54 2.02 -1.26 -4.98 118.70 120.10 3khp s GLU 159 Ca 0.68 0.23 -0.15 0.00 0.02 0.00 0.00 54.97 55.75 3khp s GLU 159 Cb -0.21 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.48 3khp s GLU 159 CO 0.38 0.04 0.34 -0.06 0.02 0.00 0.00 175.26 175.99 3khp s PHE 160 N 1.06 3.35 0.58 1.61 0.08 -1.26 -4.96 117.98 118.44 3khp s PHE 160 Ca 0.20 0.51 -0.19 0.00 0.12 0.00 0.00 56.93 57.56 3khp s PHE 160 Cb -0.14 -2.47 -0.05 0.00 -0.57 0.00 0.00 43.02 39.78 3khp s PHE 160 CO 0.08 -0.02 0.99 -2.30 -0.10 0.00 0.00 175.22 173.87 3khp n PRO 161 N 4.52 0.99 -2.28 0.24 -0.02 -1.26 -4.90 135.00 132.30 3khp n PRO 161 Ca -0.10 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 3khp n PRO 161 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3khp n PRO 161 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3khp n ASP 162 N -0.64 4.91 -2.70 2.55 -0.08 -1.26 -4.86 116.55 114.47 3khp n ASP 162 Ca 0.13 -3.06 -0.11 0.00 -1.51 0.00 0.00 54.79 50.24 3khp n ASP 162 Cb 0.46 -1.51 0.00 0.00 2.34 0.00 0.00 41.12 42.41 3khp n ASP 162 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 3khp n ARG 163 N 4.34 0.84 -2.67 -0.67 1.85 -1.26 -5.17 116.66 113.92 3khp n ARG 163 Ca 0.42 -2.26 -0.30 0.00 -1.00 0.00 0.00 57.85 54.71 3khp n ARG 163 Cb 0.37 2.48 -0.02 0.00 -1.05 0.00 0.00 32.46 34.24 3khp n ARG 163 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3khp s HIS 164 N -3.00 3.51 0.44 2.89 3.76 -1.26 -5.01 115.29 116.62 3khp s HIS 164 Ca 0.20 1.04 -0.24 0.00 -0.15 0.00 0.00 55.06 55.91 3khp s HIS 164 Cb -0.03 -2.46 -0.09 0.00 1.11 0.00 0.00 32.58 31.11 3khp s HIS 164 CO 0.15 -0.23 1.14 -0.35 -0.85 0.00 0.00 174.74 174.60 3khp n PRO 165 N -1.71 1.59 0.21 8.40 -0.04 -1.26 -4.90 135.00 137.29 3khp n PRO 165 Ca 0.03 0.57 0.04 0.00 -0.04 0.00 0.00 63.50 64.10 3khp n PRO 165 Cb 0.54 -2.23 0.46 0.00 -0.04 0.00 0.00 33.50 32.24 3khp n PRO 165 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3khp h ASP 166 N 1.69 0.01 -4.57 3.54 3.45 -1.02 -3.45 116.42 116.08 3khp h ASP 166 Ca -0.47 -0.00 -0.12 0.00 0.43 0.00 0.00 57.03 56.87 3khp h ASP 166 Cb 1.32 -0.00 -0.22 0.00 -0.56 0.00 0.00 39.33 39.87 3khp h ASP 166 CO 0.58 0.24 -0.25 0.00 -1.57 0.00 0.00 179.24 178.24 3khp s ALA 167 N -4.54 -0.89 -0.17 3.45 0.00 -0.94 -4.99 121.76 113.68 3khp s ALA 167 Ca -0.04 0.65 -0.00 0.00 0.00 0.00 0.00 51.96 52.57 3khp s ALA 167 Cb 0.15 -0.19 0.04 0.00 0.00 0.00 0.00 23.12 23.13 3khp s ALA 167 CO 0.71 -0.24 -0.06 0.50 0.00 0.00 0.00 175.76 176.67 3khp s ARG 168 N -0.75 1.49 -0.24 0.00 3.52 -1.26 0.07 118.95 121.78 3khp s ARG 168 Ca -0.08 -0.53 -0.01 0.00 -0.13 0.00 0.00 55.73 54.98 3khp s ARG 168 Cb -0.04 -2.02 0.03 0.00 -1.56 0.00 0.00 34.95 31.36 3khp s ARG 168 CO 0.03 -0.42 -0.08 0.42 -0.81 0.00 0.00 175.30 174.44 3khp s ILE 169 N 1.62 2.68 -0.13 4.11 -1.09 0.05 -4.94 121.20 123.50 3khp s ILE 169 Ca 0.01 -1.12 -0.16 0.00 -2.23 0.00 0.00 60.65 57.14 3khp s ILE 169 Cb -0.15 -2.37 -0.04 0.00 -1.58 0.00 0.00 42.46 38.31 3khp s ILE 169 CO -0.08 0.19 0.39 -1.81 -1.23 0.00 0.00 174.94 172.40 3khp s ASP 170 N 1.28 6.57 -0.08 3.58 1.01 -1.26 -0.86 116.67 126.92 3khp s ASP 170 Ca -0.01 0.68 -0.01 0.00 0.71 0.00 0.00 52.55 53.92 3khp s ASP 170 Cb -0.17 -2.24 0.03 0.00 1.01 0.00 0.00 42.92 41.55 3khp s ASP 170 CO -0.05 0.06 -0.04 -0.04 0.21 0.00 0.00 175.17 175.31 3khp s MET 171 N 0.50 1.01 0.69 8.23 -1.94 0.32 -4.96 119.30 123.14 3khp s MET 171 Ca 0.22 -0.07 -0.11 0.00 -1.71 0.00 0.00 55.69 54.02 3khp s MET 171 Cb -0.14 -1.20 0.00 0.00 2.01 0.00 0.00 34.83 35.50 3khp s MET 171 CO 0.07 -0.25 1.06 -1.25 -0.01 0.00 0.00 175.02 174.64 3khp s PRO 172 N 1.70 3.01 0.22 2.03 0.04 -1.26 -0.31 135.00 140.44 3khp s PRO 172 Ca 0.02 0.94 0.11 0.00 0.04 0.00 0.00 61.00 62.11 3khp s PRO 172 Cb -0.13 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 3khp s PRO 172 CO -0.05 -1.04 -0.21 0.95 0.04 0.00 0.00 177.00 176.68 3khp s THR 173 N -3.05 2.28 0.43 1.26 -4.23 -1.05 -4.85 115.64 106.42 3khp s THR 173 Ca 0.58 -2.14 -0.03 0.00 -1.18 0.00 0.00 61.69 58.92 3khp s THR 173 Cb -0.14 -2.13 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 3khp s THR 173 CO 0.55 -0.26 0.69 -0.13 -0.54 0.00 0.00 174.62 174.93 3khp s ARG 174 N -2.99 3.46 0.44 3.99 0.52 -1.26 -3.56 118.95 119.55 3khp s ARG 174 Ca 0.23 -0.06 0.27 0.00 -0.52 0.00 0.00 55.73 55.65 3khp s ARG 174 Cb -0.06 -2.50 0.80 0.00 0.52 0.00 0.00 34.95 33.71 3khp s ARG 174 CO 0.11 -0.09 1.77 0.93 0.02 0.00 0.00 175.30 178.03 3khp h GLU 175 N 0.42 0.00 -0.59 3.54 5.08 -1.91 -1.72 114.58 119.40 3khp h GLU 175 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3khp h GLU 175 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3khp h GLU 175 CO 0.61 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.22 3khp n ASP 176 N -2.94 3.34 -0.27 1.42 5.75 -1.26 -4.61 116.55 117.97 3khp n ASP 176 Ca 0.03 -2.11 0.02 0.00 -0.01 0.00 0.00 54.79 52.72 3khp n ASP 176 Cb 0.42 -0.43 0.23 0.00 -1.03 0.00 0.00 41.12 40.31 3khp n ASP 176 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 3khp h GLN 177 N 3.34 1.03 -0.21 0.11 5.75 -1.73 -0.59 115.11 122.82 3khp h GLN 177 Ca 0.00 -0.06 -0.10 0.00 -0.15 0.00 0.00 58.65 58.33 3khp h GLN 177 Cb 0.91 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 3khp h GLN 177 CO 0.06 0.68 -0.32 0.00 -2.65 0.00 0.00 178.83 176.60 3khp h ALA 178 N 1.50 1.06 -0.07 3.38 0.00 -1.83 0.42 119.26 123.72 3khp h ALA 178 Ca 0.34 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3khp h ALA 178 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3khp h ALA 178 CO -0.10 0.58 -0.13 -0.07 0.00 0.00 0.00 179.25 179.53 3khp h LEU 179 N 0.37 0.10 0.09 0.00 3.38 -1.38 -1.00 115.31 116.88 3khp h LEU 179 Ca 0.05 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 3khp h LEU 179 Cb 0.75 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3khp h LEU 179 CO 0.06 0.25 -1.04 0.40 0.09 0.00 0.00 178.44 178.19 3khp h ILE 180 N 0.11 1.25 -0.45 1.22 2.04 -1.20 -3.37 117.51 117.09 3khp h ILE 180 Ca 0.02 -2.40 -0.03 0.00 1.00 0.00 0.00 64.86 63.46 3khp h ILE 180 Cb 0.30 2.87 -0.02 0.00 -0.74 0.00 0.00 36.82 39.23 3khp h ILE 180 CO 0.02 0.65 0.17 0.22 0.00 0.00 0.00 178.15 179.21 3khp h TYR 181 N -0.51 0.65 0.00 1.37 3.20 -0.68 -0.97 116.97 120.03 3khp h TYR 181 Ca -0.23 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.62 3khp h TYR 181 Cb 1.57 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.64 3khp h TYR 181 CO 0.16 0.51 0.00 0.07 -1.64 0.00 0.00 178.16 177.27 3khp h ARG 182 N 0.64 0.00 -0.02 1.82 0.11 -1.36 -0.66 114.38 114.91 3khp h ARG 182 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.24 3khp h ARG 182 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 3khp h ARG 182 CO -0.01 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.34 3khp n LEU 183 N -2.33 0.18 -0.75 0.08 4.77 -0.37 -2.06 117.00 116.53 3khp n LEU 183 Ca 0.01 -0.08 0.07 0.00 -0.03 0.00 0.00 56.01 55.98 3khp n LEU 183 Cb 0.18 -0.01 0.20 0.00 -2.33 0.00 0.00 43.42 41.46 3khp n LEU 183 CO 0.18 0.04 0.67 -1.20 -1.33 0.00 0.00 177.39 175.75 3khp n SER 184 N -0.60 2.17 0.00 -1.43 7.64 -0.26 -4.96 113.62 116.18 3khp n SER 184 Ca 0.11 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 58.02 3khp n SER 184 Cb 0.08 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 3khp n SER 184 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3khp n GLY 185 N 1.16 1.29 3.46 0.23 0.00 -0.87 -4.99 105.19 105.47 3khp n GLY 185 Ca 0.14 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3khp n GLY 185 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3khp s ASP 186 N -0.45 6.34 0.00 1.61 -1.08 -1.19 -4.86 116.67 117.04 3khp s ASP 186 Ca 0.00 -1.36 0.26 0.00 -0.52 0.00 0.00 52.55 50.93 3khp s ASP 186 Cb 0.00 -2.42 0.89 0.00 -1.46 0.00 0.00 42.92 39.93 3khp s ASP 186 CO 0.00 -1.32 1.65 0.54 0.52 0.00 0.00 175.17 176.56 3khp n ARG 187 N 7.40 1.77 -1.30 4.34 5.12 -1.26 -4.45 116.66 128.28 3khp n ARG 187 Ca 0.07 -1.13 -0.54 0.00 -1.93 0.00 0.00 57.85 54.33 3khp n ARG 187 Cb 0.47 -1.46 -0.09 0.00 -1.16 0.00 0.00 32.46 30.22 3khp n ARG 187 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3khp n ASN 188 N 0.36 0.86 0.00 0.55 2.85 -1.26 -4.79 115.26 113.83 3khp n ASN 188 Ca 0.18 0.83 0.05 0.00 -0.11 0.00 0.00 54.58 55.53 3khp n ASN 188 Cb 0.38 -0.74 0.24 0.00 1.24 0.00 0.00 39.78 40.91 3khp n ASN 188 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3khp n PRO 189 N 4.40 0.06 -0.13 1.20 -0.04 -1.26 -1.61 135.00 137.62 3khp n PRO 189 Ca 0.33 0.27 0.28 0.00 -0.04 0.00 0.00 63.50 64.33 3khp n PRO 189 Cb -0.04 -1.50 0.71 0.00 -0.04 0.00 0.00 33.50 32.62 3khp n PRO 189 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3khp h LEU 190 N 0.00 0.00 -0.24 1.53 5.85 -1.87 -1.91 115.31 118.67 3khp h LEU 190 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3khp h LEU 190 Cb 0.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3khp h LEU 190 CO 0.00 0.00 -0.73 1.41 -0.34 0.00 0.00 178.44 178.78 3khp n HIS 191 N -3.92 0.00 0.00 1.25 -0.00 -0.64 -2.46 115.22 109.45 3khp n HIS 191 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.89 3khp n HIS 191 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.98 3khp n HIS 191 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 3khp n SER 192 N -1.08 1.28 -4.09 0.41 3.41 -0.99 -4.57 113.62 107.98 3khp n SER 192 Ca 0.04 -0.05 -0.32 0.00 -0.26 0.00 0.00 58.87 58.28 3khp n SER 192 Cb 0.31 0.35 -0.15 0.00 -0.26 0.00 0.00 64.21 64.46 3khp n SER 192 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3khp s ASP 193 N -0.60 4.31 0.49 4.04 2.15 -0.76 -5.00 116.67 121.30 3khp s ASP 193 Ca 0.00 -1.28 0.16 0.00 0.43 0.00 0.00 52.55 51.86 3khp s ASP 193 Cb 0.00 -1.56 1.19 0.00 -0.30 0.00 0.00 42.92 42.25 3khp s ASP 193 CO 0.00 -0.17 2.08 -0.65 -0.17 0.00 0.00 175.17 176.26 3khp h PRO 194 N 7.82 0.16 0.35 4.34 0.11 -1.95 -2.18 132.00 140.64 3khp h PRO 194 Ca -0.23 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.85 3khp h PRO 194 Cb 1.06 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3khp h PRO 194 CO 0.49 0.10 -0.17 2.35 -0.21 0.00 0.00 178.00 180.57 3khp h TRP 195 N 0.16 -0.44 -0.67 0.65 7.01 -1.94 -1.00 115.95 119.73 3khp h TRP 195 Ca 0.12 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.20 3khp h TRP 195 Cb 0.28 0.15 -0.07 0.00 -2.10 0.00 0.00 29.16 27.42 3khp h TRP 195 CO -0.00 -0.14 0.31 0.35 -2.79 0.00 0.00 178.44 176.17 3khp h PHE 196 N -0.72 0.56 -0.27 2.65 3.57 -1.80 0.15 116.94 121.07 3khp h PHE 196 Ca -0.05 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.31 3khp h PHE 196 Cb 0.50 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 3khp h PHE 196 CO 0.01 0.19 -0.52 0.00 -2.23 0.00 0.00 178.31 175.76 3khp h ALA 197 N 1.41 0.56 0.09 2.41 0.00 -1.29 -1.80 119.26 120.64 3khp h ALA 197 Ca 0.33 -0.50 -0.32 0.00 0.00 0.00 0.00 54.91 54.41 3khp h ALA 197 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3khp h ALA 197 CO -0.27 0.68 -1.75 1.79 0.00 0.00 0.00 179.25 179.70 3khp h THR 198 N 0.61 0.87 0.00 0.00 1.35 -1.10 -0.73 112.91 113.92 3khp h THR 198 Ca 0.02 -2.60 0.00 0.00 -0.55 0.00 0.00 66.41 63.28 3khp h THR 198 Cb 1.10 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 70.10 3khp h THR 198 CO 0.11 0.76 -1.34 0.00 -0.25 0.00 0.00 175.52 174.80 3khp n GLN 199 N -3.35 0.30 0.00 4.72 1.13 0.53 -4.22 117.38 116.49 3khp n GLN 199 Ca -0.22 -0.07 0.00 0.00 -1.94 0.00 0.00 57.00 54.77 3khp n GLN 199 Cb 1.05 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 29.86 3khp n GLN 199 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3khp n LEU 200 N -1.88 1.97 -0.23 1.08 4.77 -0.85 -4.86 117.00 116.99 3khp n LEU 200 Ca 0.01 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 3khp n LEU 200 Cb 0.44 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3khp n LEU 200 CO 0.43 0.33 0.16 0.00 -1.33 0.00 0.00 177.39 176.98 3khp n ALA 201 N -2.28 4.11 -1.09 -1.18 0.00 -0.74 -4.98 120.51 114.35 3khp n ALA 201 Ca 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 53.44 52.81 3khp n ALA 201 Cb 0.47 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 3khp n ALA 201 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khp n GLY 202 N 1.46 0.55 3.91 0.00 0.00 -0.94 -4.97 105.19 105.20 3khp n GLY 202 Ca 0.07 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 3khp n GLY 202 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3khp s PHE 203 N -2.09 3.33 -0.73 1.61 0.08 -0.32 -5.00 117.98 114.86 3khp s PHE 203 Ca 0.00 -0.03 0.23 0.00 0.12 0.00 0.00 56.93 57.25 3khp s PHE 203 Cb 0.00 -1.52 0.90 0.00 -0.57 0.00 0.00 43.02 41.83 3khp s PHE 203 CO 0.00 0.48 1.72 -0.35 -0.10 0.00 0.00 175.22 176.96 3khp n PRO 204 N -1.19 0.15 -3.60 0.24 -0.04 -1.26 -3.73 135.00 125.57 3khp n PRO 204 Ca -0.08 0.27 0.01 0.00 -0.04 0.00 0.00 63.50 63.66 3khp n PRO 204 Cb 0.57 -1.73 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 3khp n PRO 204 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3khp s LYS 205 N -3.15 0.23 0.59 0.54 -2.85 -1.26 -4.86 119.74 108.98 3khp s LYS 205 Ca 0.08 -0.12 -0.18 0.00 -1.00 0.00 0.00 55.97 54.75 3khp s LYS 205 Cb 0.12 0.08 -0.06 0.00 -2.06 0.00 0.00 37.83 35.91 3khp s LYS 205 CO 0.45 -0.10 0.84 -2.30 0.10 0.00 0.00 175.35 174.33 3khp n PRO 206 N -0.40 0.78 -4.21 1.78 -0.02 -1.26 -4.84 135.00 126.82 3khp n PRO 206 Ca -0.07 0.30 -0.27 0.00 -2.02 0.00 0.00 63.50 61.44 3khp n PRO 206 Cb 0.62 -2.04 -0.08 0.00 -0.02 0.00 0.00 33.50 31.98 3khp n PRO 206 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3khp s ILE 207 N -1.57 3.63 0.45 4.25 -4.36 -1.03 -4.57 121.20 118.00 3khp s ILE 207 Ca 0.74 -1.39 -0.23 0.00 -0.26 0.00 0.00 60.65 59.50 3khp s ILE 207 Cb -0.42 -2.80 -0.08 0.00 1.25 0.00 0.00 42.46 40.41 3khp s ILE 207 CO 0.49 -0.06 1.15 -0.22 0.24 0.00 0.00 174.94 176.54 3khp s LEU 208 N -2.77 4.03 0.18 0.37 2.96 0.14 -4.19 118.68 119.40 3khp s LEU 208 Ca 0.26 2.27 -0.33 0.00 -0.22 0.00 0.00 54.13 56.11 3khp s LEU 208 Cb -0.10 -4.24 -0.13 0.00 0.50 0.00 0.00 46.19 42.22 3khp s LEU 208 CO 0.17 -0.87 1.63 1.41 -1.32 0.00 0.00 176.35 177.38 3khp n HIS 209 N -0.44 2.45 -0.36 5.38 8.25 -1.26 -4.66 115.22 124.58 3khp n HIS 209 Ca 0.07 0.19 0.07 0.00 -0.26 0.00 0.00 57.72 57.78 3khp n HIS 209 Cb 0.48 -2.59 0.23 0.00 1.12 0.00 0.00 29.99 29.23 3khp n HIS 209 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3khp h GLY 210 N 6.18 1.62 2.00 -1.41 0.00 -1.96 -0.05 103.07 109.45 3khp h GLY 210 Ca -0.44 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.43 3khp h GLY 210 CO 0.91 0.17 -0.17 1.41 0.00 0.00 0.00 176.54 178.87 3khp h LEU 211 N 1.00 0.00 0.21 3.11 3.38 -1.99 -0.13 115.31 120.89 3khp h LEU 211 Ca 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 3khp h LEU 211 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3khp h LEU 211 CO -0.26 0.17 -0.10 0.00 0.09 0.00 0.00 178.44 178.34 3khp h THR 213 N -0.57 0.54 -0.94 0.00 2.02 -0.69 0.14 112.91 113.40 3khp h THR 213 Ca -0.03 -0.10 0.09 0.00 0.77 0.00 0.00 66.41 67.14 3khp h THR 213 Cb 0.42 0.22 -0.07 0.00 -1.74 0.00 0.00 68.15 66.99 3khp h THR 213 CO 0.05 0.05 0.60 0.22 0.37 0.00 0.00 175.52 176.81 3khp h TYR 214 N 0.29 1.05 -0.06 3.16 3.20 -0.96 -1.89 116.97 121.77 3khp h TYR 214 Ca 0.41 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 62.18 3khp h TYR 214 Cb 0.69 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3khp h TYR 214 CO -0.24 0.48 -0.55 0.78 -1.64 0.00 0.00 178.16 176.99 3khp h GLY 215 N 0.97 0.19 0.70 1.82 0.00 0.22 -0.94 103.07 106.03 3khp h GLY 215 Ca 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 3khp h GLY 215 CO -0.19 0.20 -0.01 -2.08 0.00 0.00 0.00 176.54 174.46 3khp h VAL 216 N 0.13 1.27 -0.95 4.60 2.07 -0.47 -1.60 116.25 121.31 3khp h VAL 216 Ca -0.00 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 66.73 3khp h VAL 216 Cb 1.02 1.73 -0.06 0.00 -1.52 0.00 0.00 31.29 32.46 3khp h VAL 216 CO 0.08 0.23 0.62 0.00 0.02 0.00 0.00 177.57 178.52 3khp h ALA 217 N 0.68 1.45 -0.38 1.67 0.00 -1.34 0.70 119.26 122.05 3khp h ALA 217 Ca 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3khp h ALA 217 Cb 0.38 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3khp h ALA 217 CO 0.00 0.41 0.22 0.78 0.00 0.00 0.00 179.25 180.66 3khp h GLY 218 N 1.11 0.55 0.99 0.00 0.00 -0.85 0.40 103.07 105.27 3khp h GLY 218 Ca 0.41 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.43 3khp h GLY 218 CO -0.15 0.22 -0.03 3.21 0.00 0.00 0.00 176.54 179.78 3khp h ARG 219 N 0.53 0.81 -0.82 4.80 3.08 0.10 -2.08 114.38 120.80 3khp h ARG 219 Ca 0.14 -0.27 0.02 0.00 0.07 0.00 0.00 59.98 59.94 3khp h ARG 219 Cb 0.00 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 3khp h ARG 219 CO -0.02 0.89 0.53 0.00 -1.07 0.00 0.00 179.97 180.29 3khp h ALA 220 N 0.90 1.06 -0.32 0.04 0.00 -0.25 -1.54 119.26 119.15 3khp h ALA 220 Ca 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3khp h ALA 220 Cb 0.54 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3khp h ALA 220 CO 0.03 0.39 0.04 -0.07 0.00 0.00 0.00 179.25 179.64 3khp h LEU 221 N 1.06 0.52 -0.89 0.00 3.38 -0.85 -0.67 115.31 117.86 3khp h LEU 221 Ca 0.32 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3khp h LEU 221 Cb -0.05 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3khp h LEU 221 CO -0.09 0.66 0.59 0.58 0.09 0.00 0.00 178.44 180.26 3khp h VAL 222 N 0.36 1.20 0.08 1.22 2.07 -1.16 0.60 116.25 120.62 3khp h VAL 222 Ca 0.10 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3khp h VAL 222 Cb 0.37 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3khp h VAL 222 CO 0.01 0.21 -0.04 0.00 0.02 0.00 0.00 177.57 177.77 3khp h ALA 223 N 1.34 -0.11 0.01 1.67 0.00 -0.85 -0.83 119.26 120.49 3khp h ALA 223 Ca 0.34 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3khp h ALA 223 Cb -0.08 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.76 3khp h ALA 223 CO -0.09 -0.42 -0.28 1.49 0.00 0.00 0.00 179.25 179.96 3khp h GLU 224 N -0.40 0.17 0.00 0.00 4.57 -0.97 -3.26 114.58 114.68 3khp h GLU 224 Ca -0.01 -0.20 -0.16 0.00 -1.18 0.00 0.00 59.36 57.81 3khp h GLU 224 Cb 0.34 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 3khp h GLU 224 CO 0.02 0.95 -2.13 1.28 -1.18 0.00 0.00 179.01 177.95 3khp n LEU 225 N -4.48 0.00 -0.19 1.64 4.77 0.18 -4.41 117.00 114.51 3khp n LEU 225 Ca -0.10 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.00 3khp n LEU 225 Cb 0.53 0.21 0.17 0.00 -2.33 0.00 0.00 43.42 42.00 3khp n LEU 225 CO 0.40 0.21 0.39 0.61 -1.33 0.00 0.00 177.39 177.67 3khp n GLY 226 N 1.52 -0.72 3.14 -0.72 0.00 -0.45 -4.88 105.19 103.07 3khp n GLY 226 Ca -0.16 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 3khp n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khp n GLY 227 N 1.43 -0.52 3.52 -0.02 0.00 -1.02 -1.98 105.19 106.60 3khp n GLY 227 Ca 0.08 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3khp n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khp n GLY 228 N -1.54 2.41 3.54 -0.02 0.00 -0.45 -4.96 105.19 104.17 3khp n GLY 228 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 3khp n GLY 228 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khp s VAL 229 N -2.31 4.68 0.24 1.61 1.01 -0.83 -4.92 120.40 119.88 3khp s VAL 229 Ca 0.00 0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.28 3khp s VAL 229 Cb 0.00 -4.30 0.22 0.00 0.00 0.00 0.00 36.38 32.30 3khp s VAL 229 CO 0.00 -0.69 1.89 0.00 0.00 0.00 0.00 175.10 176.30 3khp h ALA 230 N 8.96 1.16 0.00 5.51 0.00 -1.89 -2.65 119.26 130.35 3khp h ALA 230 Ca -0.25 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3khp h ALA 230 Cb 1.09 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3khp h ALA 230 CO 0.95 0.45 -0.01 0.00 0.00 0.00 0.00 179.25 180.64 3khp h ALA 231 N 1.36 1.04 0.00 0.00 0.00 -1.92 -1.99 119.26 117.75 3khp h ALA 231 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3khp h ALA 231 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3khp h ALA 231 CO -0.11 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.24 3khp n ASN 232 N -3.16 0.32 -4.57 0.00 3.02 -1.00 -4.43 115.26 105.44 3khp n ASN 232 Ca -0.02 0.58 -0.42 0.00 -0.03 0.00 0.00 54.58 54.69 3khp n ASN 232 Cb 0.15 -0.65 -0.06 0.00 -0.61 0.00 0.00 39.78 38.62 3khp n ASN 232 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3khp s ILE 233 N -3.15 4.75 -0.10 2.41 -1.09 -0.75 -1.03 121.20 122.25 3khp s ILE 233 Ca 0.06 0.72 -0.10 0.00 -2.23 0.00 0.00 60.65 59.09 3khp s ILE 233 Cb 0.10 -4.20 -0.27 0.00 -1.58 0.00 0.00 42.46 36.50 3khp s ILE 233 CO 0.34 -0.47 0.48 0.74 -1.23 0.00 0.00 174.94 174.80 3khp h THR 234 N 5.78 0.79 -3.23 2.92 2.02 -0.51 -3.45 112.91 117.23 3khp h THR 234 Ca -0.25 -2.39 -0.14 0.00 0.77 0.00 0.00 66.41 64.39 3khp h THR 234 Cb 1.10 2.60 -0.22 0.00 -1.74 0.00 0.00 68.15 69.88 3khp h THR 234 CO 0.90 0.83 -0.40 -0.94 0.37 0.00 0.00 175.52 176.28 3khp s SER 235 N -7.11 -0.14 -0.04 4.18 1.04 -0.84 -0.44 113.70 110.35 3khp s SER 235 Ca -0.20 0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.34 3khp s SER 235 Cb 0.06 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.56 3khp s SER 235 CO 0.79 -0.29 0.08 -0.63 0.98 0.00 0.00 173.24 174.16 3khp s ILE 236 N -0.84 -0.05 0.04 -1.02 1.01 -0.78 -1.61 121.20 117.95 3khp s ILE 236 Ca -0.09 0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.77 3khp s ILE 236 Cb -0.05 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.25 3khp s ILE 236 CO 0.02 0.08 -0.07 0.00 0.00 0.00 0.00 174.94 174.97 3khp s ALA 237 N 1.06 0.50 0.08 9.38 0.00 -0.73 -0.49 121.76 131.56 3khp s ALA 237 Ca -0.09 -0.71 -0.26 0.00 0.00 0.00 0.00 51.96 50.90 3khp s ALA 237 Cb -0.12 0.05 0.08 0.00 0.00 0.00 0.00 23.12 23.14 3khp s ALA 237 CO -0.04 -0.03 0.81 0.00 0.00 0.00 0.00 175.76 176.50 3khp s ALA 238 N -1.32 -1.70 -0.08 0.00 0.00 -0.48 -0.90 121.76 117.28 3khp s ALA 238 Ca -0.10 0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.55 3khp s ALA 238 Cb -0.10 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 3khp s ALA 238 CO 0.00 -0.78 -0.17 0.50 0.00 0.00 0.00 175.76 175.31 3khp s ARG 239 N -3.36 2.80 -0.40 0.00 3.52 0.57 -1.32 118.95 120.76 3khp s ARG 239 Ca 0.05 -0.75 -0.23 0.00 -0.13 0.00 0.00 55.73 54.68 3khp s ARG 239 Cb -0.01 -2.40 0.02 0.00 -1.56 0.00 0.00 34.95 30.99 3khp s ARG 239 CO -0.07 0.43 0.78 -0.06 -0.81 0.00 0.00 175.30 175.57 3khp s PHE 240 N -0.24 3.06 -0.19 5.12 0.08 0.45 -0.48 117.98 125.77 3khp s PHE 240 Ca 0.00 0.38 0.11 0.00 0.12 0.00 0.00 56.93 57.54 3khp s PHE 240 Cb -0.13 -3.51 -0.20 0.00 -0.57 0.00 0.00 43.02 38.61 3khp s PHE 240 CO 0.03 -0.84 -0.03 0.25 -0.10 0.00 0.00 175.22 174.53 3khp n THR 241 N 5.94 1.25 -3.64 0.64 -2.24 -0.33 -0.76 114.28 115.14 3khp n THR 241 Ca 0.03 -0.67 -0.13 0.00 -2.27 0.00 0.00 64.05 61.01 3khp n THR 241 Cb 0.48 -0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 67.86 3khp n THR 241 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3khp s LYS 242 N -2.44 0.95 0.62 -0.78 1.02 -1.23 -4.69 119.74 113.19 3khp s LYS 242 Ca -0.16 -0.33 -0.14 0.00 0.02 0.00 0.00 55.97 55.36 3khp s LYS 242 Cb 0.06 0.43 -0.03 0.00 -0.52 0.00 0.00 37.83 37.77 3khp s LYS 242 CO 0.66 -0.33 1.05 -1.25 -0.92 0.00 0.00 175.35 174.56 3khp s PRO 243 N -2.48 3.25 0.04 -1.68 0.04 -1.26 -4.61 135.00 128.31 3khp s PRO 243 Ca -0.05 1.11 0.09 0.00 0.04 0.00 0.00 61.00 62.19 3khp s PRO 243 Cb -0.01 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 3khp s PRO 243 CO -0.02 -0.86 -0.26 0.08 0.04 0.00 0.00 177.00 175.98 3khp s VAL 244 N -2.64 2.12 -0.13 -0.36 1.01 -1.26 -4.98 120.40 114.15 3khp s VAL 244 Ca 0.62 -1.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 3khp s VAL 244 Cb -0.15 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3khp s VAL 244 CO 0.42 0.36 -0.00 -0.36 0.00 0.00 0.00 175.10 175.52 3khp s PHE 245 N -0.80 3.12 0.43 5.22 0.08 -1.26 0.26 117.98 125.04 3khp s PHE 245 Ca 0.12 -0.02 -0.26 0.00 0.12 0.00 0.00 56.93 56.89 3khp s PHE 245 Cb -0.10 -1.90 -0.09 0.00 -0.57 0.00 0.00 43.02 40.36 3khp s PHE 245 CO 0.02 0.22 1.39 -2.30 -0.10 0.00 0.00 175.22 174.45 3khp n PRO 246 N 2.92 2.20 0.00 0.24 -0.02 -1.26 -1.54 135.00 137.54 3khp n PRO 246 Ca -0.18 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3khp n PRO 246 Cb 0.53 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3khp n PRO 246 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3khp n GLY 247 N 0.63 2.98 3.79 -1.23 0.00 -0.74 -4.49 105.19 106.14 3khp n GLY 247 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3khp n GLY 247 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3khp s GLU 248 N -0.42 4.03 -0.09 1.61 2.02 -0.59 -4.40 118.70 120.86 3khp s GLU 248 Ca 0.00 1.38 -0.18 0.00 0.02 0.00 0.00 54.97 56.19 3khp s GLU 248 Cb 0.00 -2.30 -0.05 0.00 0.10 0.00 0.00 34.13 31.89 3khp s GLU 248 CO 0.00 -0.23 0.47 0.99 0.02 0.00 0.00 175.26 176.51 3khp s THR 249 N -1.88 5.13 -0.21 3.63 2.01 -1.26 -2.53 115.64 120.53 3khp s THR 249 Ca 0.62 0.96 -0.08 0.00 0.31 0.00 0.00 61.69 63.50 3khp s THR 249 Cb -0.17 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 3khp s THR 249 CO 0.22 0.38 0.09 -0.76 -0.69 0.00 0.00 174.62 173.85 3khp s LEU 250 N 0.26 3.79 -0.24 4.42 1.43 0.58 -4.35 118.68 124.56 3khp s LEU 250 Ca 0.26 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.36 3khp s LEU 250 Cb -0.16 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.10 3khp s LEU 250 CO 0.11 0.10 -0.06 -0.55 0.23 0.00 0.00 176.35 176.18 3khp s SER 251 N 0.82 4.27 -0.32 2.29 0.15 0.52 0.12 113.70 121.55 3khp s SER 251 Ca 0.04 -0.80 -0.12 0.00 0.70 0.00 0.00 55.95 55.77 3khp s SER 251 Cb -0.13 -1.67 -0.03 0.00 -1.71 0.00 0.00 66.02 62.48 3khp s SER 251 CO 0.02 -0.11 0.22 -0.89 1.20 0.00 0.00 173.24 173.68 3khp s THR 252 N 1.34 5.26 -0.23 6.45 2.01 -0.03 0.20 115.64 130.64 3khp s THR 252 Ca 0.01 -0.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.81 3khp s THR 252 Cb -0.16 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 3khp s THR 252 CO -0.05 0.07 0.11 0.68 -0.69 0.00 0.00 174.62 174.74 3khp s VAL 253 N 1.73 4.92 0.00 3.82 -7.23 -0.36 -0.77 120.40 122.51 3khp s VAL 253 Ca 0.06 0.02 0.07 0.00 -1.81 0.00 0.00 61.98 60.33 3khp s VAL 253 Cb -0.17 -3.27 -0.02 0.00 0.56 0.00 0.00 36.38 33.48 3khp s VAL 253 CO 0.10 0.37 -0.23 -0.63 -0.31 0.00 0.00 175.10 174.41 3khp s ILE 254 N 1.02 1.82 -0.14 -0.62 1.01 0.11 -2.23 121.20 122.16 3khp s ILE 254 Ca 0.06 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.63 3khp s ILE 254 Cb -0.14 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.83 3khp s ILE 254 CO 0.04 0.43 -0.11 0.26 0.00 0.00 0.00 174.94 175.55 3khp s TRP 255 N -0.62 1.95 -0.11 3.97 0.51 0.14 -0.27 118.94 124.52 3khp s TRP 255 Ca 0.09 -1.09 -0.30 0.00 -2.12 0.00 0.00 56.10 52.68 3khp s TRP 255 Cb -0.09 -1.47 -0.02 0.00 -0.81 0.00 0.00 33.47 31.08 3khp s TRP 255 CO 0.00 -0.62 1.15 1.03 -0.51 0.00 0.00 176.95 178.00 3khp s ARG 256 N 1.56 4.33 0.00 4.98 0.52 -1.26 -1.16 118.95 127.92 3khp s ARG 256 Ca 0.04 1.57 0.00 0.00 -0.52 0.00 0.00 55.73 56.83 3khp s ARG 256 Cb -0.13 -3.60 0.00 0.00 0.52 0.00 0.00 34.95 31.73 3khp s ARG 256 CO -0.10 -0.49 0.00 0.25 0.02 0.00 0.00 175.30 174.98 3khp n THR 257 N 4.83 0.00 -0.64 0.02 -2.24 -0.87 -4.98 114.28 110.40 3khp n THR 257 Ca 0.11 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.61 3khp n THR 257 Cb 0.46 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 68.93 3khp n THR 257 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3khp s GLU 258 N 1.96 -0.71 0.20 -0.78 2.02 -1.26 -4.89 118.70 115.23 3khp s GLU 258 Ca 0.00 0.81 -0.32 0.00 0.02 0.00 0.00 54.97 55.49 3khp s GLU 258 Cb 0.00 -1.58 -0.11 0.00 0.10 0.00 0.00 34.13 32.54 3khp s GLU 258 CO 0.00 -3.58 1.64 -2.14 0.02 0.00 0.00 175.26 171.20 3khp s PRO 259 N -4.54 4.17 -1.00 0.39 0.02 -1.26 -2.22 135.00 130.57 3khp s PRO 259 Ca 0.68 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.18 3khp s PRO 259 Cb -0.24 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.17 3khp s PRO 259 CO 0.63 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 177.05 3khp n GLY 260 N 3.70 1.04 3.06 0.52 0.00 -1.26 -5.00 105.19 107.26 3khp n GLY 260 Ca 0.14 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 3khp n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3khp s ARG 261 N -2.91 0.60 0.09 1.61 1.81 -0.94 -1.81 118.95 117.40 3khp s ARG 261 Ca 0.00 -0.65 -0.12 0.00 -1.72 0.00 0.00 55.73 53.24 3khp s ARG 261 Cb 0.00 -0.47 0.01 0.00 -0.45 0.00 0.00 34.95 34.04 3khp s ARG 261 CO 0.00 0.11 0.27 0.00 -0.68 0.00 0.00 175.30 174.99 3khp s ALA 262 N -1.01 -0.50 0.19 2.13 0.00 -0.58 -2.06 121.76 119.94 3khp s ALA 262 Ca -0.05 -0.37 0.09 0.00 0.00 0.00 0.00 51.96 51.64 3khp s ALA 262 Cb -0.08 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 3khp s ALA 262 CO 0.01 -0.54 -0.18 0.14 0.00 0.00 0.00 175.76 175.19 3khp s VAL 263 N -3.68 1.91 0.10 0.00 -7.23 -0.31 -0.95 120.40 110.25 3khp s VAL 263 Ca 0.03 -2.06 -0.18 0.00 -1.81 0.00 0.00 61.98 57.96 3khp s VAL 263 Cb 0.03 -1.97 0.04 0.00 0.56 0.00 0.00 36.38 35.04 3khp s VAL 263 CO -0.10 -0.38 0.43 0.72 -0.31 0.00 0.00 175.10 175.45 3khp s PHE 264 N -2.31 -0.27 0.27 2.82 -0.12 -0.49 -0.68 117.98 117.19 3khp s PHE 264 Ca 0.19 0.05 0.06 0.00 -0.05 0.00 0.00 56.93 57.19 3khp s PHE 264 Cb -0.05 0.28 -0.06 0.00 -0.63 0.00 0.00 43.02 42.57 3khp s PHE 264 CO 0.08 -0.68 -0.05 1.03 -0.05 0.00 0.00 175.22 175.55 3khp s ARG 265 N -3.39 1.52 0.02 1.99 0.52 -0.95 -0.52 118.95 118.15 3khp s ARG 265 Ca 0.00 -1.77 0.07 0.00 -0.52 0.00 0.00 55.73 53.51 3khp s ARG 265 Cb 0.01 -1.07 -0.02 0.00 0.52 0.00 0.00 34.95 34.38 3khp s ARG 265 CO -0.09 0.01 -0.20 0.99 0.02 0.00 0.00 175.30 176.03 3khp s THR 266 N -3.07 1.60 0.08 0.02 2.01 -0.05 -1.22 115.64 115.00 3khp s THR 266 Ca 0.29 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.22 3khp s THR 266 Cb 0.04 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 3khp s THR 266 CO 0.11 0.27 -0.04 -1.61 -0.69 0.00 0.00 174.62 172.67 3khp s GLU 267 N -0.94 0.73 -0.22 4.92 2.02 0.13 -0.70 118.70 124.65 3khp s GLU 267 Ca 0.07 -1.29 -0.04 0.00 0.02 0.00 0.00 54.97 53.74 3khp s GLU 267 Cb -0.08 0.04 -0.01 0.00 0.10 0.00 0.00 34.13 34.18 3khp s GLU 267 CO 0.01 -0.09 -0.04 0.08 0.02 0.00 0.00 175.26 175.24 3khp s VAL 268 N -3.81 3.38 0.14 2.63 1.01 -0.52 -0.35 120.40 122.88 3khp s VAL 268 Ca 0.10 -0.49 -0.35 0.00 0.00 0.00 0.00 61.98 61.25 3khp s VAL 268 Cb 0.07 -2.54 -0.15 0.00 0.00 0.00 0.00 36.38 33.76 3khp s VAL 268 CO -0.07 0.42 1.41 0.00 0.00 0.00 0.00 175.10 176.87 3khp n ALA 269 N 4.77 0.08 -1.38 5.51 0.00 -1.26 -1.81 120.51 126.41 3khp n ALA 269 Ca -0.18 0.48 -0.30 0.00 0.00 0.00 0.00 53.44 53.44 3khp n ALA 269 Cb 0.51 -2.19 0.11 0.00 0.00 0.00 0.00 19.45 17.88 3khp n ALA 269 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3khp s GLY 270 N 0.56 1.62 0.00 0.00 0.00 -1.25 -4.85 107.32 103.40 3khp s GLY 270 Ca 0.80 -0.12 0.22 0.00 0.00 0.00 0.00 44.72 45.61 3khp s GLY 270 CO 0.44 0.33 1.51 -1.26 0.00 0.00 0.00 173.10 174.12 3khp n SER 271 N -3.65 2.15 0.00 1.64 2.88 -1.26 -4.85 113.62 110.53 3khp n SER 271 Ca 0.07 -1.78 0.00 0.00 -1.33 0.00 0.00 58.87 55.83 3khp n SER 271 Cb 0.56 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 3khp n SER 271 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3khp n ALA 274 N 0.65 0.00 -2.67 -1.46 0.00 -1.26 -5.22 120.51 110.55 3khp n ALA 274 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.41 3khp n ALA 274 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 3khp n ALA 274 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3khp s GLU 275 N -2.94 3.27 0.53 0.00 -1.05 -1.26 -5.05 118.70 112.19 3khp s GLU 275 Ca 0.00 -0.82 -0.21 0.00 -0.15 0.00 0.00 54.97 53.78 3khp s GLU 275 Cb 0.00 -2.82 -0.06 0.00 -0.44 0.00 0.00 34.13 30.81 3khp s GLU 275 CO 0.00 0.19 1.15 0.00 0.95 0.00 0.00 175.26 177.55 3khp n ALA 276 N -1.60 0.82 -3.01 -0.84 0.00 -1.26 -3.92 120.51 110.70 3khp n ALA 276 Ca -0.04 0.11 -0.38 0.00 0.00 0.00 0.00 53.44 53.14 3khp n ALA 276 Cb 0.57 -2.21 -0.12 0.00 0.00 0.00 0.00 19.45 17.69 3khp n ALA 276 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3khp s ARG 277 N -2.63 3.20 -0.08 0.00 3.52 -0.75 -4.86 118.95 117.35 3khp s ARG 277 Ca 0.71 -0.80 -0.30 0.00 -0.13 0.00 0.00 55.73 55.21 3khp s ARG 277 Cb -0.45 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.44 3khp s ARG 277 CO 0.50 -0.44 1.07 0.08 -0.81 0.00 0.00 175.30 175.71 3khp s VAL 278 N 1.56 4.59 -0.04 7.11 1.01 -1.26 -1.44 120.40 131.92 3khp s VAL 278 Ca 0.04 1.88 0.04 0.00 0.00 0.00 0.00 61.98 63.93 3khp s VAL 278 Cb -0.17 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 3khp s VAL 278 CO 0.04 0.02 0.02 1.33 0.00 0.00 0.00 175.10 176.51 3khp n VAL 279 N 4.51 0.30 -4.98 2.92 0.24 0.13 -3.75 118.33 117.69 3khp n VAL 279 Ca 0.09 -0.19 -0.31 0.00 -2.04 0.00 0.00 64.34 61.90 3khp n VAL 279 Cb 0.48 -0.83 -0.17 0.00 -1.47 0.00 0.00 33.84 31.85 3khp n VAL 279 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3khp s LEU 280 N -4.29 1.99 0.35 1.34 1.43 -0.78 -1.19 118.68 117.53 3khp s LEU 280 Ca -0.02 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.60 3khp s LEU 280 Cb 0.01 -1.30 -0.06 0.00 0.03 0.00 0.00 46.19 44.88 3khp s LEU 280 CO 0.18 0.12 0.06 -0.62 0.23 0.00 0.00 176.35 176.32 3khp s ASP 281 N 0.51 2.66 -1.46 2.29 3.68 0.36 -0.87 116.67 123.84 3khp s ASP 281 Ca -0.16 -1.42 -0.12 0.00 2.13 0.00 0.00 52.55 52.98 3khp s ASP 281 Cb -0.17 -0.02 0.09 0.00 -1.45 0.00 0.00 42.92 41.36 3khp s ASP 281 CO 0.06 -0.64 0.71 0.47 0.13 0.00 0.00 175.17 175.90 3khp n ASP 282 N -0.81 -4.23 -4.75 -0.34 8.00 -1.26 -0.32 116.55 112.83 3khp n ASP 282 Ca -0.04 -0.60 -0.41 0.00 0.71 0.00 0.00 54.79 54.45 3khp n ASP 282 Cb 0.66 -3.44 -0.03 0.00 -0.02 0.00 0.00 41.12 38.30 3khp n ASP 282 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3khp s GLY 283 N -2.99 2.78 -0.02 0.44 0.00 0.32 -4.40 107.32 103.45 3khp s GLY 283 Ca 0.54 1.14 0.01 0.00 0.00 0.00 0.00 44.72 46.40 3khp s GLY 283 CO 0.66 1.91 -0.01 0.00 0.00 0.00 0.00 173.10 175.65 3khp s ALA 284 N -0.63 0.31 0.02 3.20 0.00 -0.08 -1.40 121.76 123.18 3khp s ALA 284 Ca 0.51 0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.55 3khp s ALA 284 Cb -0.37 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 3khp s ALA 284 CO 0.45 -0.01 -0.13 0.08 0.00 0.00 0.00 175.76 176.15 3khp s VAL 285 N 0.57 0.98 -0.06 0.00 1.01 -0.12 -1.77 120.40 121.01 3khp s VAL 285 Ca -0.06 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.19 3khp s VAL 285 Cb -0.09 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.42 3khp s VAL 285 CO -0.01 0.09 -0.21 -1.61 0.00 0.00 0.00 175.10 173.36 3khp s GLU 286 N -0.80 2.25 0.11 2.72 2.02 -0.63 -1.53 118.70 122.85 3khp s GLU 286 Ca 0.02 -0.75 -0.12 0.00 0.02 0.00 0.00 54.97 54.14 3khp s GLU 286 Cb -0.06 -1.88 0.02 0.00 0.10 0.00 0.00 34.13 32.30 3khp s GLU 286 CO 0.00 0.27 0.30 1.52 0.02 0.00 0.00 175.26 177.37 3khp s TYR 287 N 0.05 -0.03 0.04 1.61 -0.85 -0.75 0.15 117.35 117.57 3khp s TYR 287 Ca -0.07 -0.35 0.02 0.00 -0.52 0.00 0.00 57.07 56.16 3khp s TYR 287 Cb -0.14 0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.27 3khp s TYR 287 CO 0.04 -0.63 0.06 0.08 -1.52 0.00 0.00 175.55 173.59 3khp s VAL 288 N -3.83 4.51 -2.00 -3.49 1.01 -0.19 -4.42 120.40 111.98 3khp s VAL 288 Ca 0.04 -0.64 0.24 0.00 0.00 0.00 0.00 61.98 61.62 3khp s VAL 288 Cb 0.03 -3.11 0.67 0.00 0.00 0.00 0.00 36.38 33.97 3khp s VAL 288 CO -0.11 0.23 1.78 0.00 0.00 0.00 0.00 175.10 177.00