#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kht s ASN 3 N 0.00 7.14 -0.06 3.14 -0.87 -1.26 -5.00 114.94 118.03 1kht s ASN 3 Ca 0.00 1.36 -0.29 0.00 -1.57 0.00 0.00 52.86 52.36 1kht s ASN 3 Cb 0.00 -2.43 -0.07 0.00 -0.02 0.00 0.00 41.25 38.72 1kht s ASN 3 CO 0.00 0.05 1.99 -0.75 -2.57 0.00 0.00 177.10 175.82 1kht s LYS 4 N -0.13 3.85 -0.17 -0.60 2.20 -1.26 -4.85 119.74 118.78 1kht s LYS 4 Ca 0.36 2.36 -0.07 0.00 -0.36 0.00 0.00 55.97 58.26 1kht s LYS 4 Cb -0.20 -4.20 -0.04 0.00 -1.51 0.00 0.00 37.83 31.88 1kht s LYS 4 CO 0.21 -1.28 0.09 0.08 -0.36 0.00 0.00 175.35 174.09 1kht s VAL 5 N 5.50 5.03 -0.02 4.02 1.01 -1.26 -1.95 120.40 132.73 1kht s VAL 5 Ca 0.89 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.96 1kht s VAL 5 Cb -0.38 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1kht s VAL 5 CO 0.38 0.50 -0.14 -0.69 0.00 0.00 0.00 175.10 175.16 1kht s VAL 6 N -0.01 1.08 -0.21 2.92 1.01 0.22 -1.19 120.40 124.23 1kht s VAL 6 Ca 0.07 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 1kht s VAL 6 Cb -0.12 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 1kht s VAL 6 CO 0.00 0.31 -0.08 -0.69 0.00 0.00 0.00 175.10 174.65 1kht s VAL 7 N -0.22 3.12 -0.21 2.92 1.01 -0.45 0.18 120.40 126.74 1kht s VAL 7 Ca 0.03 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 1kht s VAL 7 Cb -0.06 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1kht s VAL 7 CO -0.00 0.45 0.03 -0.69 0.00 0.00 0.00 175.10 174.89 1kht s VAL 8 N 1.38 4.13 0.20 2.92 1.01 0.37 0.06 120.40 130.47 1kht s VAL 8 Ca 0.05 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1kht s VAL 8 Cb -0.14 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1kht s VAL 8 CO -0.05 0.40 -0.05 0.42 0.00 0.00 0.00 175.10 175.82 1kht s THR 9 N 1.15 1.16 0.00 3.92 -4.23 0.50 -1.61 115.64 116.53 1kht s THR 9 Ca 0.03 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1kht s THR 9 Cb -0.14 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.56 1kht s THR 9 CO 0.02 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 1kht n GLY 10 N -0.34 1.76 3.83 3.99 0.00 -1.26 -0.79 105.19 112.39 1kht n GLY 10 Ca -0.07 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1kht n GLY 10 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kht s VAL 11 N -2.00 4.25 0.24 1.61 -7.23 -1.26 -4.86 120.40 111.15 1kht s VAL 11 Ca 0.00 0.86 -0.31 0.00 -1.81 0.00 0.00 61.98 60.72 1kht s VAL 11 Cb 0.00 -3.57 -0.13 0.00 0.56 0.00 0.00 36.38 33.23 1kht s VAL 11 CO 0.00 -0.82 1.46 -2.65 -0.31 0.00 0.00 175.10 172.78 1kht n PRO 12 N -2.51 2.16 0.00 4.82 -0.02 -1.26 -1.68 135.00 136.51 1kht n PRO 12 Ca 0.07 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1kht n PRO 12 Cb 0.54 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1kht n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kht n GLY 13 N 2.36 2.44 0.00 -1.23 0.00 -1.26 -4.88 105.19 102.63 1kht n GLY 13 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1kht n GLY 13 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1kht n VAL 14 N -2.00 0.33 -2.70 1.61 3.14 -0.68 -4.85 118.33 113.18 1kht n VAL 14 Ca 0.00 0.08 -0.12 0.00 -2.96 0.00 0.00 64.34 61.34 1kht n VAL 14 Cb 0.00 -0.67 0.02 0.00 -1.06 0.00 0.00 33.84 32.13 1kht n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1kht n GLY 15 N 0.96 0.06 0.23 7.55 0.00 -1.26 -4.86 105.19 107.87 1kht n GLY 15 Ca 0.07 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 1kht n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kht h SER 16 N -0.81 0.72 0.07 1.61 4.64 -1.88 -2.40 113.55 115.50 1kht h SER 16 Ca -0.28 -0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1kht h SER 16 Cb 1.19 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1kht h SER 16 CO 0.30 0.76 -0.03 0.74 -0.87 0.00 0.00 176.83 177.73 1kht h THR 17 N 0.64 0.99 0.21 2.95 2.02 -1.93 -2.41 112.91 115.38 1kht h THR 17 Ca 0.15 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1kht h THR 17 Cb 0.32 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1kht h THR 17 CO 0.00 0.05 -0.49 0.74 0.37 0.00 0.00 175.52 176.18 1kht h THR 18 N -0.17 0.05 -0.18 3.16 2.02 -1.94 -2.00 112.91 113.84 1kht h THR 18 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1kht h THR 18 Cb 0.15 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 1kht h THR 18 CO 0.02 0.00 0.11 0.77 0.37 0.00 0.00 175.52 176.79 1kht h SER 19 N -0.79 0.21 0.36 4.18 4.64 -1.49 -2.62 113.55 118.05 1kht h SER 19 Ca -0.01 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.20 1kht h SER 19 Cb 0.77 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1kht h SER 19 CO -0.23 0.18 -0.35 0.77 -0.87 0.00 0.00 176.83 176.33 1kht h SER 20 N 0.22 0.00 -0.36 4.97 4.64 -1.45 -2.06 113.55 119.51 1kht h SER 20 Ca 0.06 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 1kht h SER 20 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1kht h SER 20 CO -0.01 0.35 -0.01 -0.61 -0.87 0.00 0.00 176.83 175.68 1kht h GLN 21 N 0.00 0.65 -0.54 4.77 4.15 -1.20 -0.38 115.11 122.56 1kht h GLN 21 Ca -0.00 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.19 1kht h GLN 21 Cb 0.63 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 1kht h GLN 21 CO 0.05 0.76 0.30 -0.07 -1.93 0.00 0.00 178.83 177.94 1kht h LEU 22 N 0.46 0.66 -0.45 -2.39 3.38 -1.10 0.32 115.31 116.19 1kht h LEU 22 Ca 0.10 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1kht h LEU 22 Cb 0.48 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1kht h LEU 22 CO 0.02 0.53 -0.02 0.00 0.09 0.00 0.00 178.44 179.07 1kht h ALA 23 N 1.58 0.61 0.00 1.53 0.00 -0.95 -1.76 119.26 120.27 1kht h ALA 23 Ca 0.19 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1kht h ALA 23 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1kht h ALA 23 CO -0.03 0.42 -0.34 0.52 0.00 0.00 0.00 179.25 179.82 1kht h MET 24 N 0.65 0.00 -0.27 0.00 2.86 -0.23 -1.40 114.93 116.53 1kht h MET 24 Ca 0.13 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.69 1kht h MET 24 Cb 0.53 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1kht h MET 24 CO 0.03 0.34 -0.13 -0.44 1.06 0.00 0.00 176.91 177.77 1kht h ASP 25 N 0.00 0.58 -1.01 1.22 3.32 -0.64 -2.32 116.42 117.57 1kht h ASP 25 Ca -0.00 -0.41 0.07 0.00 0.02 0.00 0.00 57.03 56.71 1kht h ASP 25 Cb 0.66 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.98 1kht h ASP 25 CO 0.04 0.86 0.65 0.78 -1.72 0.00 0.00 179.24 179.86 1kht h ASN 26 N 0.30 1.04 1.41 6.45 4.21 -0.74 -2.09 115.58 126.16 1kht h ASN 26 Ca 0.06 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.56 1kht h ASN 26 Cb 0.64 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.63 1kht h ASN 26 CO 0.04 0.66 -0.10 -0.07 -1.29 0.00 0.00 177.43 176.67 1kht h LEU 27 N 1.18 0.00 -0.57 1.61 3.38 -1.13 -3.17 115.31 116.61 1kht h LEU 27 Ca 0.44 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.34 1kht h LEU 27 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1kht h LEU 27 CO -0.18 0.10 0.08 -0.09 0.09 0.00 0.00 178.44 178.44 1kht h ARG 28 N 0.00 0.95 0.00 1.13 2.43 -0.81 -2.19 114.38 115.89 1kht h ARG 28 Ca -0.00 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1kht h ARG 28 Cb 0.83 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1kht h ARG 28 CO 0.01 0.92 0.00 0.36 -1.51 0.00 0.00 179.97 179.75 1kht n LYS 29 N -4.32 0.36 -0.85 0.20 2.85 -1.20 -2.27 118.16 112.94 1kht n LYS 29 Ca 0.02 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.32 1kht n LYS 29 Cb 0.28 -1.32 0.05 0.00 -0.65 0.00 0.00 35.03 33.39 1kht n LYS 29 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1kht n GLU 30 N -0.82 0.36 0.00 -1.58 0.28 -0.85 -5.04 120.64 112.99 1kht n GLU 30 Ca 0.06 -1.87 0.00 0.00 -0.16 0.00 0.00 57.16 55.19 1kht n GLU 30 Cb 0.03 -0.57 0.00 0.00 1.43 0.00 0.00 31.44 32.32 1kht n GLU 30 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1kht n GLY 31 N -0.12 2.43 3.69 -1.84 0.00 -0.96 -5.03 105.19 103.34 1kht n GLY 31 Ca 0.07 -0.68 -0.53 0.00 0.00 0.00 0.00 46.02 44.87 1kht n GLY 31 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1kht n VAL 32 N 0.00 0.34 -3.73 1.61 0.31 -1.08 -4.85 118.33 110.93 1kht n VAL 32 Ca 0.00 -0.06 -0.30 0.00 -0.01 0.00 0.00 64.34 63.97 1kht n VAL 32 Cb 0.00 -1.40 -0.14 0.00 -0.91 0.00 0.00 33.84 31.39 1kht n VAL 32 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1kht s ASN 33 N 3.21 3.78 0.42 4.52 2.47 -1.26 -2.40 114.94 125.68 1kht s ASN 33 Ca 0.94 -2.38 -0.23 0.00 0.42 0.00 0.00 52.86 51.60 1kht s ASN 33 Cb -0.92 -1.02 -0.09 0.00 -1.45 0.00 0.00 41.25 37.78 1kht s ASN 33 CO 0.58 -0.31 1.04 -0.31 -3.72 0.00 0.00 177.10 174.38 1kht s TYR 34 N 0.66 3.23 -0.45 0.43 1.51 -1.26 -4.48 117.35 117.00 1kht s TYR 34 Ca 0.16 1.63 -0.15 0.00 -1.01 0.00 0.00 57.07 57.70 1kht s TYR 34 Cb -0.23 -3.09 0.06 0.00 -0.11 0.00 0.00 41.96 38.59 1kht s TYR 34 CO -0.05 -0.60 0.35 0.21 -1.11 0.00 0.00 175.55 174.35 1kht s LYS 35 N -2.68 2.93 -0.42 -0.62 2.20 0.12 -4.95 119.74 116.32 1kht s LYS 35 Ca 0.60 -1.26 -0.29 0.00 -0.36 0.00 0.00 55.97 54.66 1kht s LYS 35 Cb -0.20 -4.04 0.02 0.00 -1.51 0.00 0.00 37.83 32.10 1kht s LYS 35 CO 0.25 -0.93 1.31 -1.64 -0.36 0.00 0.00 175.35 173.98 1kht s MET 36 N 1.63 3.66 0.01 4.03 -1.94 -1.26 -2.21 119.30 123.22 1kht s MET 36 Ca 0.04 0.86 0.07 0.00 -1.71 0.00 0.00 55.69 54.95 1kht s MET 36 Cb -0.23 -3.97 -0.03 0.00 2.01 0.00 0.00 34.83 32.62 1kht s MET 36 CO 0.07 -1.45 -0.22 0.54 -0.01 0.00 0.00 175.02 173.94 1kht s VAL 37 N 4.99 2.40 -0.33 -6.03 0.11 -0.70 -5.00 120.40 115.85 1kht s VAL 37 Ca 0.56 -1.14 -0.09 0.00 -2.93 0.00 0.00 61.98 58.38 1kht s VAL 37 Cb -0.12 -1.92 0.01 0.00 -1.53 0.00 0.00 36.38 32.82 1kht s VAL 37 CO 0.31 0.47 0.14 -0.55 -3.33 0.00 0.00 175.10 172.14 1kht s SER 38 N -0.99 5.44 0.45 3.54 0.15 -1.26 -0.85 113.70 120.18 1kht s SER 38 Ca 0.12 -0.79 0.11 0.00 0.70 0.00 0.00 55.95 56.09 1kht s SER 38 Cb -0.10 -1.95 1.01 0.00 -1.71 0.00 0.00 66.02 63.27 1kht s SER 38 CO 0.01 -0.26 2.07 0.15 1.20 0.00 0.00 173.24 176.41 1kht h PHE 39 N 8.32 0.26 0.00 3.44 3.04 -1.67 0.16 116.94 130.49 1kht h PHE 39 Ca -0.29 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.66 1kht h PHE 39 Cb 1.12 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.54 1kht h PHE 39 CO 0.61 0.20 0.00 0.41 -2.02 0.00 0.00 178.31 177.51 1kht n GLY 40 N -1.40 -0.89 0.23 2.40 0.00 -1.25 -0.38 105.19 103.90 1kht n GLY 40 Ca -0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 1kht n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kht n SER 41 N -1.50 1.79 0.32 1.61 7.64 0.44 -4.05 113.62 119.89 1kht n SER 41 Ca 0.03 0.23 0.20 0.00 1.01 0.00 0.00 58.87 60.34 1kht n SER 41 Cb 0.13 -0.66 1.11 0.00 -1.01 0.00 0.00 64.21 63.78 1kht n SER 41 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1kht h VAL 42 N -0.74 0.16 -2.33 0.44 2.07 -1.11 -2.22 116.25 112.53 1kht h VAL 42 Ca -0.60 0.00 -0.64 0.00 0.82 0.00 0.00 66.70 66.27 1kht h VAL 42 Cb 1.58 0.98 -0.39 0.00 -1.52 0.00 0.00 31.29 31.94 1kht h VAL 42 CO -0.33 0.00 -0.29 0.80 0.02 0.00 0.00 177.57 177.77 1kht n MET 43 N -3.31 3.17 0.00 1.57 0.00 0.49 -4.36 117.12 114.68 1kht n MET 43 Ca -0.03 -4.70 0.00 0.00 0.00 0.00 0.00 57.70 52.97 1kht n MET 43 Cb 0.10 -2.31 0.00 0.00 0.00 0.00 0.00 33.22 31.01 1kht n MET 43 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1kht n PHE 44 N 0.62 0.00 0.29 1.12 7.35 -0.86 -4.71 117.46 121.27 1kht n PHE 44 Ca 0.31 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 57.17 1kht n PHE 44 Cb 0.38 0.00 0.82 0.00 0.35 0.00 0.00 39.48 41.04 1kht n PHE 44 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1kht h GLU 45 N 0.00 0.00 0.00 -4.13 4.11 -1.70 -1.71 114.58 111.15 1kht h GLU 45 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 1kht h GLU 45 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1kht h GLU 45 CO 0.00 0.05 -0.66 0.28 0.07 0.00 0.00 179.01 178.75 1kht h VAL 46 N 0.00 0.68 -0.79 -1.06 2.07 -1.86 -3.22 116.25 112.06 1kht h VAL 46 Ca -0.00 -1.71 0.03 0.00 0.82 0.00 0.00 66.70 65.84 1kht h VAL 46 Cb 0.35 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1kht h VAL 46 CO 0.01 0.23 0.50 0.00 0.02 0.00 0.00 177.57 178.33 1kht h ALA 47 N -0.62 1.04 -0.09 1.67 0.00 -1.86 -0.90 119.26 118.50 1kht h ALA 47 Ca -0.14 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1kht h ALA 47 Cb 0.85 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1kht h ALA 47 CO -0.09 0.32 -0.25 -0.22 0.00 0.00 0.00 179.25 179.01 1kht h LYS 48 N 0.98 0.16 0.47 0.00 3.64 -1.08 0.34 116.57 121.08 1kht h LYS 48 Ca 0.32 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 1kht h LYS 48 Cb 0.01 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1kht h LYS 48 CO -0.11 0.40 -0.23 1.49 -2.27 0.00 0.00 179.45 178.74 1kht h GLU 49 N 0.15 -0.61 -0.13 1.90 4.81 -1.29 -3.12 114.58 116.29 1kht h GLU 49 Ca 0.02 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1kht h GLU 49 Cb 0.52 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1kht h GLU 49 CO 0.04 -0.33 0.00 0.39 -0.73 0.00 0.00 179.01 178.38 1kht n GLU 50 N -5.21 0.67 -1.67 1.92 1.02 -0.44 -4.81 120.64 112.11 1kht n GLU 50 Ca -0.09 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.90 1kht n GLU 50 Cb 0.29 -1.06 -0.05 0.00 -0.02 0.00 0.00 31.44 30.60 1kht n GLU 50 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1kht n ASN 51 N -0.37 -4.06 -0.03 1.62 3.02 -0.91 -4.82 115.26 109.71 1kht n ASN 51 Ca 0.00 0.31 -0.14 0.00 -0.03 0.00 0.00 54.58 54.72 1kht n ASN 51 Cb 0.03 -3.65 -0.11 0.00 -0.61 0.00 0.00 39.78 35.44 1kht n ASN 51 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1kht h LEU 52 N 0.00 0.13 -7.68 3.41 3.38 -1.24 -3.44 115.31 109.87 1kht h LEU 52 Ca -0.32 -0.72 -0.55 0.00 0.09 0.00 0.00 57.88 56.38 1kht h LEU 52 Cb 1.04 -0.04 -0.37 0.00 0.09 0.00 0.00 40.66 41.38 1kht h LEU 52 CO 0.44 0.82 -0.80 -0.69 0.09 0.00 0.00 178.44 178.30 1kht s VAL 53 N -3.35 1.17 -0.14 1.22 1.01 -0.82 -4.97 120.40 114.52 1kht s VAL 53 Ca -0.16 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 1kht s VAL 53 Cb 0.01 -1.26 -0.25 0.00 0.00 0.00 0.00 36.38 34.88 1kht s VAL 53 CO 0.71 0.24 0.46 0.77 0.00 0.00 0.00 175.10 177.28 1kht h SER 54 N 8.12 0.25 -3.54 3.32 4.64 -1.84 -2.88 113.55 121.62 1kht h SER 54 Ca -0.28 -0.78 -0.63 0.00 -0.47 0.00 0.00 61.79 59.63 1kht h SER 54 Cb 1.12 -0.08 -0.18 0.00 -0.31 0.00 0.00 62.40 62.95 1kht h SER 54 CO 0.42 1.56 -0.56 -0.62 -0.87 0.00 0.00 176.83 176.76 1kht s ASP 55 N -6.92 5.66 0.55 4.97 2.15 -1.26 -4.94 116.67 116.88 1kht s ASP 55 Ca -0.23 -0.00 0.43 0.00 0.43 0.00 0.00 52.55 53.18 1kht s ASP 55 Cb 0.04 -2.01 1.64 0.00 -0.30 0.00 0.00 42.92 42.30 1kht s ASP 55 CO 0.71 0.06 1.69 -0.09 -0.17 0.00 0.00 175.17 177.38 1kht h ARG 56 N 7.54 0.00 -1.94 4.34 2.43 -1.99 -2.86 114.38 121.90 1kht h ARG 56 Ca -0.37 -0.00 -0.42 0.00 -0.81 0.00 0.00 59.98 58.38 1kht h ARG 56 Cb 1.17 -0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.57 1kht h ARG 56 CO 0.64 0.00 0.25 -0.25 -1.51 0.00 0.00 179.97 179.10 1kht n ASP 57 N -4.07 6.23 -0.17 -3.80 10.43 -1.26 -3.62 116.55 120.29 1kht n ASP 57 Ca 0.35 -3.05 0.00 0.00 2.57 0.00 0.00 54.79 54.66 1kht n ASP 57 Cb 1.61 -1.24 0.00 0.00 1.84 0.00 0.00 41.12 43.33 1kht n ASP 57 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1kht n GLN 58 N 1.12 0.00 0.09 -1.24 10.64 -1.08 -4.93 117.38 121.98 1kht n GLN 58 Ca 0.45 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.55 1kht n GLN 58 Cb 0.62 0.00 0.04 0.00 -0.86 0.00 0.00 30.24 30.04 1kht n GLN 58 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.06 175.75 1kht h MET 59 N 0.00 0.18 -0.62 2.61 2.86 -1.76 -2.92 114.93 115.28 1kht h MET 59 Ca 0.00 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1kht h MET 59 Cb 0.74 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1kht h MET 59 CO 0.00 0.87 0.00 2.89 1.06 0.00 0.00 176.91 181.73 1kht n ARG 60 N -3.72 0.85 0.00 1.72 1.85 -1.26 -3.06 116.66 113.04 1kht n ARG 60 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 1kht n ARG 60 Cb 0.74 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.84 1kht n ARG 60 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1kht n LYS 61 N -0.08 0.00 -0.31 2.89 5.02 -1.12 -4.23 118.16 120.33 1kht n LYS 61 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1kht n LYS 61 Cb 0.16 -0.09 0.17 0.00 -0.02 0.00 0.00 35.03 35.25 1kht n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kht h MET 62 N 0.00 1.17 0.00 1.97 -0.00 -1.44 -3.46 114.93 113.17 1kht h MET 62 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 1kht h MET 62 Cb 0.10 -0.26 0.00 0.00 -0.00 0.00 0.00 31.60 31.43 1kht h MET 62 CO 0.00 0.78 0.00 -3.47 -0.00 0.00 0.00 176.91 174.22 1kht n ASP 63 N -4.41 0.00 0.17 -0.10 -0.08 -1.26 -4.97 116.55 105.90 1kht n ASP 63 Ca 0.11 0.00 0.16 0.00 -1.51 0.00 0.00 54.79 53.55 1kht n ASP 63 Cb 0.04 0.00 0.76 0.00 2.34 0.00 0.00 41.12 44.26 1kht n ASP 63 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1kht h PRO 64 N 0.00 0.00 -0.15 -0.67 0.11 -1.94 0.15 132.00 129.50 1kht h PRO 64 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1kht h PRO 64 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1kht h PRO 64 CO 0.00 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.18 1kht n GLU 65 N -4.09 1.89 -0.05 1.05 4.71 -1.26 -3.53 120.64 119.36 1kht n GLU 65 Ca 0.02 -1.33 -0.07 0.00 -0.01 0.00 0.00 57.16 55.78 1kht n GLU 65 Cb 0.34 -1.44 -0.04 0.00 -1.01 0.00 0.00 31.44 29.28 1kht n GLU 65 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1kht n THR 66 N 0.57 0.54 0.22 2.62 -1.04 0.31 -4.38 114.28 113.11 1kht n THR 66 Ca 0.17 -0.20 0.11 0.00 -2.04 0.00 0.00 64.05 62.09 1kht n THR 66 Cb 0.41 -0.97 0.38 0.00 -1.82 0.00 0.00 70.33 68.33 1kht n THR 66 CO 0.00 0.00 0.00 0.06 -0.64 0.00 0.00 175.07 174.49 1kht h GLN 67 N -0.06 0.00 0.00 -2.82 3.07 -1.12 -1.04 115.11 113.14 1kht h GLN 67 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.52 1kht h GLN 67 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.87 1kht h GLN 67 CO -0.05 0.17 -0.13 0.87 0.09 0.00 0.00 178.83 179.79 1kht h LYS 68 N 0.00 0.00 0.03 0.06 1.57 -1.78 -2.66 116.57 113.78 1kht h LYS 68 Ca -0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1kht h LYS 68 Cb 0.85 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.12 1kht h LYS 68 CO 0.02 0.00 -1.67 -0.09 -0.57 0.00 0.00 179.45 177.14 1kht h ARG 69 N 0.00 0.06 -0.00 3.15 2.43 -1.64 -3.10 114.38 115.27 1kht h ARG 69 Ca 0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1kht h ARG 69 Cb 0.98 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1kht h ARG 69 CO 0.00 0.69 -0.12 -0.89 -1.51 0.00 0.00 179.97 178.14 1kht n ILE 70 N -3.16 0.00 -0.09 1.20 5.41 -0.44 -3.69 119.36 118.59 1kht n ILE 70 Ca -0.17 -0.02 -0.19 0.00 1.00 0.00 0.00 62.75 63.37 1kht n ILE 70 Cb 1.04 -0.23 -0.12 0.00 -0.71 0.00 0.00 39.64 39.62 1kht n ILE 70 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1kht h GLN 71 N 0.21 0.00 -0.48 0.38 4.15 -1.53 -3.10 115.11 114.75 1kht h GLN 71 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.51 1kht h GLN 71 Cb 0.41 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.02 1kht h GLN 71 CO 0.00 0.97 0.03 1.57 -1.93 0.00 0.00 178.83 179.47 1kht h LYS 72 N -1.00 0.15 -0.07 1.69 2.10 -1.61 -0.80 116.57 117.03 1kht h LYS 72 Ca -0.22 -0.01 -0.15 0.00 -2.00 0.00 0.00 60.65 58.27 1kht h LYS 72 Cb 1.17 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.45 1kht h LYS 72 CO -0.13 0.10 -0.63 0.00 -2.00 0.00 0.00 179.45 176.79 1kht h MET 73 N 0.15 0.24 -0.70 0.07 -0.00 -1.75 -2.41 114.93 110.53 1kht h MET 73 Ca 0.24 -0.17 -0.01 0.00 -0.00 0.00 0.00 59.70 59.76 1kht h MET 73 Cb 0.35 0.03 -0.03 0.00 -0.00 0.00 0.00 31.60 31.94 1kht h MET 73 CO -0.37 0.79 0.41 0.00 -0.00 0.00 0.00 176.91 177.74 1kht h ALA 74 N 1.17 1.40 0.01 -3.00 0.00 -1.20 -2.36 119.26 115.27 1kht h ALA 74 Ca -0.01 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 1kht h ALA 74 Cb 1.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1kht h ALA 74 CO 0.10 0.51 -0.91 0.78 0.00 0.00 0.00 179.25 179.73 1kht h GLY 75 N 1.00 0.29 1.27 0.00 0.00 -1.02 -3.08 103.07 101.53 1kht h GLY 75 Ca 0.25 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 47.07 1kht h GLY 75 CO -0.05 0.47 0.46 3.21 0.00 0.00 0.00 176.54 180.63 1kht h ARG 76 N 0.14 0.87 -0.35 4.80 3.08 -0.93 0.33 114.38 122.32 1kht h ARG 76 Ca -0.06 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.77 1kht h ARG 76 Cb 1.55 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.40 1kht h ARG 76 CO 0.15 0.58 -0.43 0.87 -1.07 0.00 0.00 179.97 180.06 1kht h LYS 77 N 0.90 0.91 0.00 0.04 1.57 -1.45 -2.83 116.57 115.70 1kht h LYS 77 Ca 0.26 -0.51 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1kht h LYS 77 Cb -0.03 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1kht h LYS 77 CO -0.07 1.15 -0.10 0.82 -0.57 0.00 0.00 179.45 180.68 1kht h ILE 78 N 0.73 0.21 0.00 1.86 2.04 -1.32 -2.58 117.51 118.45 1kht h ILE 78 Ca 0.05 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 1kht h ILE 78 Cb 1.03 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1kht h ILE 78 CO 0.10 0.10 -0.04 0.00 0.00 0.00 0.00 178.15 178.32 1kht h ALA 79 N 1.90 1.23 0.09 1.87 0.00 -0.10 -2.59 119.26 121.65 1kht h ALA 79 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1kht h ALA 79 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1kht h ALA 79 CO 0.01 0.05 -0.04 0.93 0.00 0.00 0.00 179.25 180.20 1kht h GLU 80 N 0.00 -0.12 0.00 0.00 5.08 -1.47 -3.05 114.58 115.03 1kht h GLU 80 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1kht h GLU 80 Cb 0.16 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1kht h GLU 80 CO 0.01 0.40 0.03 0.52 -1.00 0.00 0.00 179.01 178.97 1kht h MET 81 N -0.73 0.00 0.00 2.33 2.86 -1.58 0.22 114.93 118.03 1kht h MET 81 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1kht h MET 81 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1kht h MET 81 CO 0.02 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.99 1kht n ALA 82 N -1.95 1.99 -2.60 6.32 0.00 -1.05 -1.56 120.51 121.66 1kht n ALA 82 Ca -0.02 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 1kht n ALA 82 Cb 0.09 -1.12 0.02 0.00 0.00 0.00 0.00 19.45 18.44 1kht n ALA 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1kht n LYS 83 N -0.75 1.86 0.00 0.00 4.81 0.78 -4.42 118.16 120.44 1kht n LYS 83 Ca 0.05 -3.64 0.00 0.00 -0.87 0.00 0.00 58.31 53.86 1kht n LYS 83 Cb 0.03 -1.56 0.00 0.00 0.02 0.00 0.00 35.03 33.52 1kht n LYS 83 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1kht n GLU 84 N -0.21 0.00 -2.19 1.64 4.07 -0.60 -5.08 120.64 118.28 1kht n GLU 84 Ca 0.18 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.25 1kht n GLU 84 Cb 0.77 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 32.17 1kht n GLU 84 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1kht n SER 85 N -2.35 -0.83 -4.61 4.31 7.64 -1.25 -4.97 113.62 111.55 1kht n SER 85 Ca 0.00 -1.53 -0.50 0.00 1.01 0.00 0.00 58.87 57.84 1kht n SER 85 Cb 0.00 1.37 -0.06 0.00 -1.01 0.00 0.00 64.21 64.52 1kht n SER 85 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1kht n PRO 86 N -0.23 1.69 -4.92 1.43 -0.02 -1.26 -4.64 135.00 127.04 1kht n PRO 86 Ca -0.03 0.57 -0.33 0.00 -2.02 0.00 0.00 63.50 61.70 1kht n PRO 86 Cb 0.23 -2.56 -0.14 0.00 -0.02 0.00 0.00 33.50 31.00 1kht n PRO 86 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1kht s VAL 87 N 5.31 2.85 -0.25 -1.45 1.01 -0.82 0.15 120.40 127.19 1kht s VAL 87 Ca 0.99 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 1kht s VAL 87 Cb -0.77 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 33.51 1kht s VAL 87 CO 0.52 0.56 -0.07 0.00 0.00 0.00 0.00 175.10 176.10 1kht s ALA 88 N -0.12 2.66 -0.38 5.51 0.00 -0.94 -0.61 121.76 127.88 1kht s ALA 88 Ca -0.02 -1.51 -0.17 0.00 0.00 0.00 0.00 51.96 50.26 1kht s ALA 88 Cb -0.14 -1.65 0.01 0.00 0.00 0.00 0.00 23.12 21.33 1kht s ALA 88 CO 0.04 -0.86 0.42 0.08 0.00 0.00 0.00 175.76 175.43 1kht s VAL 89 N 1.29 5.11 -0.56 0.00 1.01 0.47 -1.72 120.40 125.99 1kht s VAL 89 Ca -0.01 -0.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.61 1kht s VAL 89 Cb -0.17 -3.95 0.04 0.00 0.00 0.00 0.00 36.38 32.30 1kht s VAL 89 CO -0.05 -0.27 1.02 -0.62 0.00 0.00 0.00 175.10 175.18 1kht s ASP 90 N 1.78 6.38 0.00 3.32 2.15 -0.03 -0.48 116.67 129.79 1kht s ASP 90 Ca 0.13 -0.18 0.00 0.00 0.43 0.00 0.00 52.55 52.93 1kht s ASP 90 Cb -0.17 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1kht s ASP 90 CO 0.13 -1.30 0.00 1.07 -0.17 0.00 0.00 175.17 174.90 1kht n THR 91 N 6.36 0.00 -4.50 1.71 5.66 -0.64 -1.64 114.28 121.23 1kht n THR 91 Ca 0.04 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.83 1kht n THR 91 Cb 0.48 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.11 1kht n THR 91 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1kht s HIS 92 N -1.25 1.12 0.08 1.09 3.76 -1.26 -4.18 115.29 114.65 1kht s HIS 92 Ca 0.00 -0.24 -0.20 0.00 -0.15 0.00 0.00 55.06 54.47 1kht s HIS 92 Cb 0.00 -0.71 -0.10 0.00 1.11 0.00 0.00 32.58 32.89 1kht s HIS 92 CO 0.00 -0.01 1.59 1.03 -0.85 0.00 0.00 174.74 176.50 1kht h SER 93 N 5.64 0.27 -4.56 1.40 0.87 -1.91 -3.29 113.55 111.95 1kht h SER 93 Ca -0.34 -0.21 -0.14 0.00 -1.23 0.00 0.00 61.79 59.88 1kht h SER 93 Cb 1.17 -0.07 -0.22 0.00 -0.44 0.00 0.00 62.40 62.84 1kht h SER 93 CO 0.48 0.40 -0.35 0.42 -0.53 0.00 0.00 176.83 177.24 1kht s THR 94 N -5.39 0.04 -0.18 2.23 -4.23 -1.26 -1.02 115.64 105.83 1kht s THR 94 Ca -0.14 -0.34 -0.07 0.00 -1.18 0.00 0.00 61.69 59.96 1kht s THR 94 Cb 0.07 -0.50 -0.04 0.00 1.34 0.00 0.00 72.50 73.37 1kht s THR 94 CO 0.71 -0.19 0.06 -0.69 -0.54 0.00 0.00 174.62 173.97 1kht s VAL 95 N -0.79 4.77 -0.91 2.29 1.01 0.63 -4.83 120.40 122.56 1kht s VAL 95 Ca -0.09 -0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.60 1kht s VAL 95 Cb -0.05 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 33.23 1kht s VAL 95 CO 0.02 0.47 1.42 -0.55 0.00 0.00 0.00 175.10 176.46 1kht s SER 96 N 0.32 6.30 0.29 3.32 0.15 -1.26 -0.87 113.70 121.95 1kht s SER 96 Ca 0.03 -1.04 0.06 0.00 0.70 0.00 0.00 55.95 55.70 1kht s SER 96 Cb -0.12 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.60 1kht s SER 96 CO 0.00 -1.69 0.42 0.42 1.20 0.00 0.00 173.24 173.59 1kht s THR 97 N 5.54 4.58 0.64 6.45 -4.23 -0.42 -4.97 115.64 123.24 1kht s THR 97 Ca 0.44 -0.99 0.39 0.00 -1.18 0.00 0.00 61.69 60.35 1kht s THR 97 Cb -0.03 -3.60 0.41 0.00 1.34 0.00 0.00 72.50 70.62 1kht s THR 97 CO -0.00 -0.23 2.33 1.55 -0.54 0.00 0.00 174.62 177.72 1kht h PRO 98 N 1.01 0.00 -0.01 3.99 0.13 -1.95 0.12 132.00 135.30 1kht h PRO 98 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1kht h PRO 98 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1kht h PRO 98 CO 0.56 0.00 -0.09 1.63 -0.23 0.00 0.00 178.00 179.87 1kht n LYS 99 N -3.37 1.10 0.00 0.86 4.76 -1.26 -5.04 118.16 115.21 1kht n LYS 99 Ca -0.03 -0.52 0.00 0.00 -2.87 0.00 0.00 58.31 54.89 1kht n LYS 99 Cb 0.08 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 1kht n LYS 99 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1kht n GLY 100 N 1.22 0.39 3.66 0.72 0.00 0.42 -5.01 105.19 106.59 1kht n GLY 100 Ca 0.17 -2.27 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 1kht n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kht s TYR 101 N -0.34 3.33 -0.30 1.61 2.02 -1.26 -1.30 117.35 121.10 1kht s TYR 101 Ca 0.00 1.46 -0.15 0.00 -0.37 0.00 0.00 57.07 58.01 1kht s TYR 101 Cb 0.00 -3.28 -0.03 0.00 -0.40 0.00 0.00 41.96 38.26 1kht s TYR 101 CO 0.00 -0.52 0.37 -1.17 -1.57 0.00 0.00 175.55 172.67 1kht s LEU 102 N 3.17 4.20 0.27 -1.29 2.96 -0.05 -4.84 118.68 123.10 1kht s LEU 102 Ca 0.45 0.06 -0.31 0.00 -0.22 0.00 0.00 54.13 54.11 1kht s LEU 102 Cb -0.15 -2.40 -0.12 0.00 0.50 0.00 0.00 46.19 44.02 1kht s LEU 102 CO 0.07 -0.26 1.59 -0.81 -1.32 0.00 0.00 176.35 175.62 1kht n PRO 103 N 5.38 2.59 0.17 0.98 -0.04 -1.26 -0.27 135.00 142.55 1kht n PRO 103 Ca -0.09 0.93 0.12 0.00 -0.04 0.00 0.00 63.50 64.42 1kht n PRO 103 Cb 0.50 -2.70 0.13 0.00 -0.04 0.00 0.00 33.50 31.39 1kht n PRO 103 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1kht h GLY 104 N 5.08 0.00 -5.82 0.55 0.00 -1.15 -3.38 103.07 98.35 1kht h GLY 104 Ca -0.46 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.32 1kht h GLY 104 CO 0.82 0.00 -0.92 1.04 0.00 0.00 0.00 176.54 177.48 1kht n LEU 105 N -2.85 2.29 -4.68 3.11 4.77 -1.26 -4.91 117.00 113.47 1kht n LEU 105 Ca 0.03 -5.22 -0.33 0.00 -0.03 0.00 0.00 56.01 50.45 1kht n LEU 105 Cb 0.52 0.09 0.14 0.00 -2.33 0.00 0.00 43.42 41.85 1kht n LEU 105 CO 0.36 2.23 0.71 -0.81 -1.33 0.00 0.00 177.39 178.55 1kht n PRO 106 N 0.43 0.00 -0.17 3.23 -0.04 -1.26 -4.20 135.00 132.99 1kht n PRO 106 Ca 0.27 0.08 0.01 0.00 -0.04 0.00 0.00 63.50 63.82 1kht n PRO 106 Cb 0.51 -2.40 0.05 0.00 -0.04 0.00 0.00 33.50 31.62 1kht n PRO 106 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1kht n SER 107 N -3.43 -0.23 0.37 3.54 7.64 -1.26 -1.16 113.62 119.09 1kht n SER 107 Ca 0.13 0.82 -0.14 0.00 1.01 0.00 0.00 58.87 60.68 1kht n SER 107 Cb 0.51 -0.22 -0.07 0.00 -1.01 0.00 0.00 64.21 63.42 1kht n SER 107 CO 0.00 0.00 0.00 4.11 -3.01 0.00 0.00 175.04 176.14 1kht h TRP 108 N 0.00 -0.87 -0.98 1.43 0.09 -2.01 -2.29 115.95 111.32 1kht h TRP 108 Ca 0.20 -0.02 0.16 0.00 0.09 0.00 0.00 58.89 59.32 1kht h TRP 108 Cb 0.32 0.29 -0.09 0.00 0.08 0.00 0.00 29.16 29.76 1kht h TRP 108 CO -0.38 -0.54 0.61 0.28 0.09 0.00 0.00 178.44 178.49 1kht h VAL 109 N -1.05 0.79 -0.46 0.12 2.07 -1.58 -1.98 116.25 114.16 1kht h VAL 109 Ca -0.10 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.17 1kht h VAL 109 Cb 0.72 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1kht h VAL 109 CO 0.16 0.14 0.28 0.25 0.02 0.00 0.00 177.57 178.42 1kht h LEU 110 N 0.78 0.47 -1.57 2.57 5.85 -1.08 -2.29 115.31 120.03 1kht h LEU 110 Ca 0.52 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 59.19 1kht h LEU 110 Cb 0.79 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1kht h LEU 110 CO -0.29 0.33 -0.23 0.78 -0.34 0.00 0.00 178.44 178.69 1kht h ASN 111 N 0.57 0.00 0.12 1.25 -0.26 -0.76 0.34 115.58 116.84 1kht h ASN 111 Ca 0.18 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.91 1kht h ASN 111 Cb -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1kht h ASN 111 CO -0.07 0.23 -0.06 -0.33 -1.06 0.00 0.00 177.43 176.14 1kht h GLU 112 N 0.00 -0.15 -0.57 0.81 4.39 -1.23 -3.30 114.58 114.52 1kht h GLU 112 Ca -0.00 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.78 1kht h GLU 112 Cb 0.43 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.05 1kht h GLU 112 CO 0.03 -0.10 0.23 -0.07 -1.16 0.00 0.00 179.01 177.94 1kht h LEU 113 N -0.20 0.27 -3.60 1.33 4.07 -1.44 -3.47 115.31 112.28 1kht h LEU 113 Ca -0.02 0.06 -0.49 0.00 0.08 0.00 0.00 57.88 57.51 1kht h LEU 113 Cb 0.12 0.03 0.02 0.00 1.08 0.00 0.00 40.66 41.91 1kht h LEU 113 CO 0.03 0.17 -0.96 -3.20 -1.08 0.00 0.00 178.44 173.40 1kht n ASN 114 N -4.96 -4.86 -4.73 -0.43 5.15 0.12 -4.90 115.26 100.65 1kht n ASN 114 Ca 0.07 -1.08 -0.32 0.00 -0.60 0.00 0.00 54.58 52.65 1kht n ASN 114 Cb 0.22 -2.38 0.11 0.00 -0.53 0.00 0.00 39.78 37.20 1kht n ASN 114 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1kht s PRO 115 N -6.23 1.91 -0.21 1.20 0.04 -1.26 -4.81 135.00 125.64 1kht s PRO 115 Ca 0.36 1.48 0.14 0.00 0.04 0.00 0.00 61.00 63.03 1kht s PRO 115 Cb -0.17 -1.83 -0.23 0.00 0.04 0.00 0.00 34.50 32.31 1kht s PRO 115 CO 0.91 -1.95 0.01 -0.25 0.04 0.00 0.00 177.00 175.76 1kht n ASP 116 N -3.36 0.51 -3.89 6.66 8.00 -0.33 -4.31 116.55 119.82 1kht n ASP 116 Ca 0.11 -0.03 -0.15 0.00 0.71 0.00 0.00 54.79 55.44 1kht n ASP 116 Cb 0.52 0.72 -0.15 0.00 -0.02 0.00 0.00 41.12 42.19 1kht n ASP 116 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1kht s LEU 117 N -5.65 1.74 -0.15 0.64 2.96 -1.20 -2.19 118.68 114.83 1kht s LEU 117 Ca -0.14 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1kht s LEU 117 Cb 0.06 -0.17 0.02 0.00 0.50 0.00 0.00 46.19 46.60 1kht s LEU 117 CO 0.76 -0.01 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.98 1kht s ILE 118 N 0.28 1.79 -0.14 6.68 1.01 -0.37 -1.33 121.20 129.10 1kht s ILE 118 Ca -0.03 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 1kht s ILE 118 Cb -0.05 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 1kht s ILE 118 CO -0.01 0.50 0.02 -0.63 0.00 0.00 0.00 174.94 174.82 1kht s ILE 119 N 1.27 4.46 -0.22 2.92 1.01 0.11 -0.65 121.20 130.09 1kht s ILE 119 Ca 0.02 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.52 1kht s ILE 119 Cb -0.13 -2.95 0.04 0.00 0.01 0.00 0.00 42.46 39.43 1kht s ILE 119 CO -0.09 0.53 -0.13 -0.69 0.00 0.00 0.00 174.94 174.55 1kht s VAL 120 N -0.12 2.01 -0.21 2.92 1.01 0.96 -0.37 120.40 126.59 1kht s VAL 120 Ca 0.05 -1.29 -0.13 0.00 0.00 0.00 0.00 61.98 60.61 1kht s VAL 120 Cb -0.12 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1kht s VAL 120 CO 0.02 0.17 0.26 -0.69 0.00 0.00 0.00 175.10 174.86 1kht s VAL 121 N 1.23 5.30 0.29 2.92 1.01 0.03 -0.80 120.40 130.38 1kht s VAL 121 Ca -0.03 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.39 1kht s VAL 121 Cb -0.17 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1kht s VAL 121 CO -0.08 0.33 0.13 -1.61 0.00 0.00 0.00 175.10 173.87 1kht s GLU 122 N 1.00 1.55 0.11 2.72 2.02 0.11 -4.33 118.70 121.88 1kht s GLU 122 Ca 0.13 -1.87 -0.25 0.00 0.02 0.00 0.00 54.97 52.99 1kht s GLU 122 Cb -0.14 -0.19 0.08 0.00 0.10 0.00 0.00 34.13 33.99 1kht s GLU 122 CO 0.05 -0.39 1.10 -0.08 0.02 0.00 0.00 175.26 175.96 1kht s THR 123 N -3.64 0.00 0.77 3.63 -1.32 -1.26 -0.09 115.64 113.73 1kht s THR 123 Ca 0.36 -0.48 -0.12 0.00 -1.21 0.00 0.00 61.69 60.24 1kht s THR 123 Cb 0.06 -2.45 0.06 0.00 -1.51 0.00 0.00 72.50 68.66 1kht s THR 123 CO 0.16 0.00 1.12 0.42 -2.21 0.00 0.00 174.62 174.11 1kht s THR 124 N -2.53 2.89 0.29 5.08 -4.23 -1.26 -4.84 115.64 111.03 1kht s THR 124 Ca 0.18 0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 61.01 1kht s THR 124 Cb -0.00 -2.74 0.20 0.00 1.34 0.00 0.00 72.50 71.30 1kht s THR 124 CO 0.02 -0.33 1.89 1.23 -0.54 0.00 0.00 174.62 176.88 1kht h GLY 125 N -0.92 1.03 0.74 3.99 0.00 -1.94 -2.16 103.07 103.80 1kht h GLY 125 Ca -0.45 -0.49 0.02 0.00 0.00 0.00 0.00 47.33 46.42 1kht h GLY 125 CO 0.50 0.47 -0.06 -0.55 0.00 0.00 0.00 176.54 176.90 1kht h ASP 126 N 0.96 -0.18 -0.48 0.19 3.32 -1.91 0.73 116.42 119.04 1kht h ASP 126 Ca 0.23 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 1kht h ASP 126 Cb 0.10 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1kht h ASP 126 CO -0.03 -0.08 0.21 -0.33 -1.72 0.00 0.00 179.24 177.29 1kht h GLU 127 N -0.06 0.71 -0.37 3.56 5.08 -1.87 -0.30 114.58 121.34 1kht h GLU 127 Ca 0.06 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1kht h GLU 127 Cb 0.14 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1kht h GLU 127 CO -0.13 0.62 0.19 0.82 -1.00 0.00 0.00 179.01 179.51 1kht h ILE 128 N 0.63 1.16 -0.92 3.13 2.04 -1.18 -0.30 117.51 122.07 1kht h ILE 128 Ca 0.16 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1kht h ILE 128 Cb 0.17 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1kht h ILE 128 CO -0.02 0.16 0.57 0.25 0.00 0.00 0.00 178.15 179.12 1kht h LEU 129 N 0.46 1.09 -0.78 1.44 5.85 -0.69 -0.88 115.31 121.80 1kht h LEU 129 Ca 0.13 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 1kht h LEU 129 Cb 0.09 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1kht h LEU 129 CO -0.02 0.82 0.00 -0.03 -0.34 0.00 0.00 178.44 178.88 1kht h MET 130 N 1.26 0.93 -0.26 1.25 4.05 -0.70 -2.19 114.93 119.28 1kht h MET 130 Ca 0.33 -0.27 -0.10 0.00 -0.28 0.00 0.00 59.70 59.38 1kht h MET 130 Cb -0.08 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 30.62 1kht h MET 130 CO -0.06 0.92 -0.22 0.00 0.23 0.00 0.00 176.91 177.77 1kht h ARG 131 N 0.86 0.60 -0.90 0.39 3.08 -0.49 -3.16 114.38 114.76 1kht h ARG 131 Ca 0.16 -0.31 0.05 0.00 0.07 0.00 0.00 59.98 59.96 1kht h ARG 131 Cb 0.50 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.50 1kht h ARG 131 CO 0.02 0.90 0.57 0.00 -1.07 0.00 0.00 179.97 180.39 1kht h ARG 132 N 0.32 1.03 0.00 0.04 3.08 -1.02 -2.30 114.38 115.53 1kht h ARG 132 Ca 0.05 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1kht h ARG 132 Cb 0.77 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1kht h ARG 132 CO 0.06 0.68 0.00 0.52 -1.07 0.00 0.00 179.97 180.16 1kht h MET 133 N 1.06 0.00 -0.31 0.04 2.86 -1.36 -1.30 114.93 115.92 1kht h MET 133 Ca 0.38 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.97 1kht h MET 133 Cb 0.11 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1kht h MET 133 CO -0.15 0.00 0.01 -1.13 1.06 0.00 0.00 176.91 176.69 1kht n SER 134 N -2.48 3.66 -4.23 1.22 3.41 -0.87 -4.94 113.62 109.39 1kht n SER 134 Ca -0.02 -3.19 -0.32 0.00 -0.26 0.00 0.00 58.87 55.08 1kht n SER 134 Cb 0.07 -0.58 -0.16 0.00 -0.26 0.00 0.00 64.21 63.28 1kht n SER 134 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1kht s ASP 135 N -2.00 3.31 -0.00 4.04 -1.08 -0.49 -4.98 116.67 115.46 1kht s ASP 135 Ca 0.44 -0.53 0.01 0.00 -0.52 0.00 0.00 52.55 51.95 1kht s ASP 135 Cb 0.36 -1.47 -0.01 0.00 -1.46 0.00 0.00 42.92 40.34 1kht s ASP 135 CO 0.07 0.13 0.02 -0.62 0.52 0.00 0.00 175.17 175.29 1kht n GLU 136 N 3.76 1.12 0.00 4.34 -0.58 -1.26 -4.55 120.64 123.47 1kht n GLU 136 Ca -0.19 -0.01 0.09 0.00 -0.42 0.00 0.00 57.16 56.63 1kht n GLU 136 Cb 0.52 -0.94 0.53 0.00 -0.57 0.00 0.00 31.44 30.99 1kht n GLU 136 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1kht n THR 137 N -1.44 0.00 -3.69 2.62 5.66 -1.26 -4.64 114.28 111.52 1kht n THR 137 Ca -0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 1kht n THR 137 Cb 0.02 -0.64 -0.08 0.00 -1.55 0.00 0.00 70.33 68.08 1kht n THR 137 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1kht s ARG 138 N -2.00 0.78 -0.07 1.09 0.52 -1.26 -5.11 118.95 112.89 1kht s ARG 138 Ca 0.27 -0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.40 1kht s ARG 138 Cb 0.12 0.35 0.02 0.00 0.52 0.00 0.00 34.95 35.97 1kht s ARG 138 CO 0.21 -0.23 -0.06 0.14 0.02 0.00 0.00 175.30 175.38 1kht s VAL 139 N -1.31 0.75 0.00 3.52 -7.23 -1.26 -4.88 120.40 109.99 1kht s VAL 139 Ca -0.13 -0.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 1kht s VAL 139 Cb -0.04 -0.78 0.00 0.00 0.56 0.00 0.00 36.38 36.12 1kht s VAL 139 CO 0.06 0.30 0.44 -2.11 -0.31 0.00 0.00 175.10 173.47 1kht n ARG 140 N 4.50 0.00 -3.47 4.82 0.00 -1.26 -4.97 116.66 116.28 1kht n ARG 140 Ca -0.17 -0.26 -0.38 0.00 -0.00 0.00 0.00 57.85 57.04 1kht n ARG 140 Cb 0.51 0.21 -0.09 0.00 -0.00 0.00 0.00 32.46 33.08 1kht n ARG 140 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1kht s ASP 141 N -0.26 6.21 0.00 2.89 2.15 -1.26 -4.47 116.67 121.93 1kht s ASP 141 Ca 0.00 0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.21 1kht s ASP 141 Cb 0.00 -2.18 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 1kht s ASP 141 CO 0.00 -0.11 0.00 -0.11 -0.17 0.00 0.00 175.17 174.78 1kht n LEU 142 N 5.02 0.00 -4.98 -1.34 -0.00 -1.26 -5.15 117.00 109.30 1kht n LEU 142 Ca -0.11 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.67 1kht n LEU 142 Cb 0.51 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 44.03 1kht n LEU 142 CO 0.36 0.00 0.54 -1.81 -0.00 0.00 0.00 177.39 176.48 1kht s ASP 143 N 0.00 4.51 0.28 1.96 -0.00 -1.26 -5.13 116.67 117.03 1kht s ASP 143 Ca 0.00 -0.17 0.04 0.00 -0.00 0.00 0.00 52.55 52.42 1kht s ASP 143 Cb 0.00 -0.32 -0.06 0.00 -0.00 0.00 0.00 42.92 42.54 1kht s ASP 143 CO 0.00 -1.74 0.02 0.28 -0.00 0.00 0.00 175.17 173.72 1kht s THR 144 N -3.12 1.19 0.41 -1.27 -1.32 -1.26 -4.99 115.64 105.27 1kht s THR 144 Ca 0.64 -2.04 0.13 0.00 -1.21 0.00 0.00 61.69 59.22 1kht s THR 144 Cb -0.07 -2.56 0.34 0.00 -1.51 0.00 0.00 72.50 68.70 1kht s THR 144 CO 0.44 -0.17 1.93 0.00 -2.21 0.00 0.00 174.62 174.60 1kht h ALA 145 N 2.29 2.02 -0.07 11.08 0.00 -1.97 -1.47 119.26 131.13 1kht h ALA 145 Ca -0.40 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.30 1kht h ALA 145 Cb 1.23 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1kht h ALA 145 CO 0.67 -0.21 -0.77 0.77 0.00 0.00 0.00 179.25 179.71 1kht h SER 146 N 0.48 0.79 0.32 0.00 0.02 -1.95 -2.26 113.55 110.95 1kht h SER 146 Ca 0.36 -0.69 -0.05 0.00 -0.84 0.00 0.00 61.79 60.57 1kht h SER 146 Cb 0.72 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1kht h SER 146 CO -0.12 1.37 -0.24 0.71 -1.14 0.00 0.00 176.83 177.40 1kht h THR 147 N 0.29 1.04 -0.22 -2.27 1.35 -1.77 -0.26 112.91 111.06 1kht h THR 147 Ca -0.08 -0.87 -0.17 0.00 -0.55 0.00 0.00 66.41 64.74 1kht h THR 147 Cb 1.43 1.49 -0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1kht h THR 147 CO 0.16 0.24 -0.56 0.40 -0.25 0.00 0.00 175.52 175.51 1kht h ILE 148 N 0.00 1.30 -0.47 6.82 2.04 -1.26 -1.42 117.51 124.52 1kht h ILE 148 Ca -0.00 -1.78 -0.06 0.00 1.00 0.00 0.00 64.86 64.02 1kht h ILE 148 Cb 0.47 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1kht h ILE 148 CO 0.03 0.56 0.07 -0.33 0.00 0.00 0.00 178.15 178.48 1kht h GLU 149 N 0.52 0.78 -0.20 2.37 4.39 -0.73 -0.46 114.58 121.26 1kht h GLU 149 Ca 0.01 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.51 1kht h GLU 149 Cb 1.13 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 1kht h GLU 149 CO 0.11 0.80 0.08 0.37 -1.16 0.00 0.00 179.01 179.21 1kht h GLN 150 N 0.65 0.18 -0.74 2.33 4.15 -0.95 0.63 115.11 121.35 1kht h GLN 150 Ca 0.14 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.57 1kht h GLN 150 Cb 0.40 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.01 1kht h GLN 150 CO 0.01 0.12 0.47 1.25 -1.93 0.00 0.00 178.83 178.75 1kht h HIS 151 N 0.18 0.89 -0.11 3.99 2.76 -1.04 -0.53 115.15 121.30 1kht h HIS 151 Ca 0.08 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.20 1kht h HIS 151 Cb 0.04 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.69 1kht h HIS 151 CO -0.11 0.53 -0.27 1.96 -1.30 0.00 0.00 177.93 178.74 1kht h GLN 152 N 0.94 0.19 0.50 5.26 4.20 -0.04 -0.10 115.11 126.06 1kht h GLN 152 Ca 0.29 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 1kht h GLN 152 Cb -0.03 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1kht h GLN 152 CO -0.09 0.45 -0.24 0.35 -0.67 0.00 0.00 178.83 178.63 1kht h PHE 153 N 0.17 -0.63 -0.12 2.96 3.04 0.16 -1.58 116.94 120.94 1kht h PHE 153 Ca 0.03 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.92 1kht h PHE 153 Cb 0.57 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.28 1kht h PHE 153 CO 0.01 -0.36 -0.12 0.52 -2.02 0.00 0.00 178.31 176.33 1kht h MET 154 N -0.73 0.19 -0.45 1.11 2.86 -0.94 -2.17 114.93 114.80 1kht h MET 154 Ca -0.07 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 1kht h MET 154 Cb 0.54 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1kht h MET 154 CO 0.11 0.32 0.01 -0.91 1.06 0.00 0.00 176.91 177.50 1kht h ASN 155 N 0.18 0.70 -0.29 1.22 -0.26 -0.76 -0.09 115.58 116.29 1kht h ASN 155 Ca 0.04 -0.16 -0.04 0.00 -0.56 0.00 0.00 56.30 55.58 1kht h ASN 155 Cb 0.33 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 1kht h ASN 155 CO 0.02 0.77 0.04 0.03 -1.06 0.00 0.00 177.43 177.22 1kht h ARG 156 N 0.69 0.48 0.10 0.81 3.08 -0.66 -0.57 114.38 118.30 1kht h ARG 156 Ca 0.14 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1kht h ARG 156 Cb 0.42 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1kht h ARG 156 CO 0.02 0.60 -0.10 0.00 -1.07 0.00 0.00 179.97 179.41 1kht h ALA 158 N 0.66 -0.03 -0.59 0.00 0.00 -1.00 -1.37 119.26 116.93 1kht h ALA 158 Ca 0.01 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1kht h ALA 158 Cb 0.22 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 1kht h ALA 158 CO -0.03 -0.52 0.17 0.00 0.00 0.00 0.00 179.25 178.87 1kht h ALA 159 N 0.94 0.73 -0.27 0.00 0.00 -0.97 0.18 119.26 119.87 1kht h ALA 159 Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1kht h ALA 159 Cb 0.05 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1kht h ALA 159 CO -0.01 -0.26 -0.18 1.98 0.00 0.00 0.00 179.25 180.78 1kht h MET 160 N 0.32 0.49 -0.53 0.00 -1.53 -0.91 -0.64 114.93 112.13 1kht h MET 160 Ca 0.30 -0.16 -0.11 0.00 -3.44 0.00 0.00 59.70 56.30 1kht h MET 160 Cb 0.41 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.40 1kht h MET 160 CO -0.35 0.65 -0.09 0.77 0.14 0.00 0.00 176.91 178.03 1kht h SER 161 N 0.44 0.98 -0.89 1.39 0.02 -0.09 -0.10 113.55 115.29 1kht h SER 161 Ca 0.07 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1kht h SER 161 Cb 0.57 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 1kht h SER 161 CO 0.04 1.08 0.50 1.88 -1.14 0.00 0.00 176.83 179.19 1kht h TYR 162 N 0.88 1.22 -0.25 3.45 0.05 -0.45 -1.55 116.97 120.32 1kht h TYR 162 Ca 0.14 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.89 1kht h TYR 162 Cb 0.64 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1kht h TYR 162 CO 0.04 0.84 0.13 0.78 -1.05 0.00 0.00 178.16 178.90 1kht h GLY 163 N 1.25 0.38 0.89 3.88 0.00 -0.41 -1.66 103.07 107.39 1kht h GLY 163 Ca 0.32 -0.18 0.03 0.00 0.00 0.00 0.00 47.33 47.50 1kht h GLY 163 CO -0.05 0.17 0.55 -2.08 0.00 0.00 0.00 176.54 175.13 1kht h VAL 164 N 0.28 1.14 0.00 4.60 2.07 -0.67 0.60 116.25 124.27 1kht h VAL 164 Ca 0.09 -0.37 -0.13 0.00 0.82 0.00 0.00 66.70 67.11 1kht h VAL 164 Cb 0.09 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 1kht h VAL 164 CO -0.01 0.20 -0.60 -0.07 0.02 0.00 0.00 177.57 177.10 1kht h LEU 165 N 1.07 0.00 0.00 2.57 3.38 -1.09 -3.34 115.31 117.91 1kht h LEU 165 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1kht h LEU 165 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1kht h LEU 165 CO -0.11 0.60 -0.93 0.35 0.09 0.00 0.00 178.44 178.44 1kht n THR 166 N -3.78 0.00 -0.13 0.22 -2.24 -0.64 -4.99 114.28 102.71 1kht n THR 166 Ca -0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1kht n THR 166 Cb 0.61 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1kht n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kht n GLY 167 N 1.53 1.42 3.75 3.38 0.00 0.21 -4.97 105.19 110.51 1kht n GLY 167 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1kht n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kht s ALA 168 N -2.67 2.71 0.29 4.61 0.00 -1.15 -4.98 121.76 120.56 1kht s ALA 168 Ca 0.00 1.16 -0.18 0.00 0.00 0.00 0.00 51.96 52.94 1kht s ALA 168 Cb 0.00 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 1kht s ALA 168 CO 0.00 -1.22 0.76 0.95 0.00 0.00 0.00 175.76 176.25 1kht s THR 169 N -1.44 4.60 -0.28 0.00 -4.23 -0.93 -4.51 115.64 108.84 1kht s THR 169 Ca 0.73 1.15 -0.04 0.00 -1.18 0.00 0.00 61.69 62.35 1kht s THR 169 Cb -0.35 -3.72 0.02 0.00 1.34 0.00 0.00 72.50 69.79 1kht s THR 169 CO 0.40 -0.03 0.02 -0.69 -0.54 0.00 0.00 174.62 173.79 1kht s VAL 170 N -1.81 3.46 -0.21 2.29 1.01 -1.26 -1.24 120.40 122.64 1kht s VAL 170 Ca 0.50 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 1kht s VAL 170 Cb -0.13 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1kht s VAL 170 CO 0.19 0.07 0.07 -0.75 0.00 0.00 0.00 175.10 174.67 1kht s LYS 171 N 1.40 3.81 -0.23 2.72 2.47 0.17 -5.00 119.74 125.09 1kht s LYS 171 Ca 0.00 -0.41 -0.08 0.00 -1.56 0.00 0.00 55.97 53.92 1kht s LYS 171 Cb -0.18 -3.26 -0.04 0.00 -1.46 0.00 0.00 37.83 32.89 1kht s LYS 171 CO -0.00 0.04 0.09 0.42 0.16 0.00 0.00 175.35 176.06 1kht s ILE 172 N 0.99 4.69 -0.11 5.43 1.01 -1.26 -0.03 121.20 131.92 1kht s ILE 172 Ca 0.04 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.66 1kht s ILE 172 Cb -0.14 -3.17 0.01 0.00 0.01 0.00 0.00 42.46 39.17 1kht s ILE 172 CO 0.03 0.38 -0.19 -0.69 0.00 0.00 0.00 174.94 174.46 1kht s VAL 173 N 1.10 1.75 -0.03 2.92 1.01 0.02 -4.97 120.40 122.20 1kht s VAL 173 Ca 0.05 -0.81 -0.23 0.00 0.00 0.00 0.00 61.98 60.98 1kht s VAL 173 Cb -0.14 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1kht s VAL 173 CO 0.04 0.49 0.71 -1.10 0.00 0.00 0.00 175.10 175.23 1kht s GLN 174 N 0.74 4.44 -0.68 2.72 -1.52 -1.26 -0.71 119.66 123.39 1kht s GLN 174 Ca -0.11 0.91 0.05 0.00 -1.95 0.00 0.00 55.36 54.27 1kht s GLN 174 Cb -0.16 -3.41 0.19 0.00 -0.22 0.00 0.00 33.01 29.40 1kht s GLN 174 CO 0.02 0.16 0.54 -1.71 -0.25 0.00 0.00 175.29 174.04 1kht n ASN 175 N 3.38 2.95 -4.84 5.90 5.15 0.88 -4.39 115.26 124.29 1kht n ASN 175 Ca -0.02 -3.21 -0.35 0.00 -0.60 0.00 0.00 54.58 50.41 1kht n ASN 175 Cb 0.51 -0.73 -0.06 0.00 -0.53 0.00 0.00 39.78 38.97 1kht n ASN 175 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1kht s ARG 176 N -1.58 4.08 0.11 1.20 0.52 -1.26 -4.69 118.95 117.33 1kht s ARG 176 Ca 0.28 0.68 -0.35 0.00 -0.52 0.00 0.00 55.73 55.82 1kht s ARG 176 Cb 0.00 -2.75 -0.18 0.00 0.52 0.00 0.00 34.95 32.55 1kht s ARG 176 CO -0.14 0.34 1.01 0.09 0.02 0.00 0.00 175.30 176.62 1kht n ASN 177 N 0.37 0.34 0.00 0.23 4.13 -1.26 -0.49 115.26 118.57 1kht n ASN 177 Ca -0.01 1.14 0.00 0.00 1.68 0.00 0.00 54.58 57.39 1kht n ASN 177 Cb 0.52 -1.05 0.00 0.00 -1.54 0.00 0.00 39.78 37.71 1kht n ASN 177 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kht n GLY 178 N 1.86 0.62 1.89 7.41 0.00 -1.26 -4.84 105.19 110.87 1kht n GLY 178 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 1kht n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kht n LEU 179 N 0.00 3.06 -0.04 0.99 4.77 0.35 -4.81 117.00 121.32 1kht n LEU 179 Ca 0.00 -3.75 0.06 0.00 -0.03 0.00 0.00 56.01 52.29 1kht n LEU 179 Cb 0.02 -0.11 0.44 0.00 -2.33 0.00 0.00 43.42 41.43 1kht n LEU 179 CO 0.00 1.46 1.18 0.25 -1.33 0.00 0.00 177.39 178.95 1kht h LEU 180 N 1.90 0.47 -1.54 2.23 5.85 -1.89 -1.30 115.31 121.03 1kht h LEU 180 Ca 0.08 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1kht h LEU 180 Cb 1.41 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 1kht h LEU 180 CO 0.36 0.32 0.21 -2.24 -0.34 0.00 0.00 178.44 176.76 1kht h ASP 181 N 0.54 0.46 -0.30 1.25 -0.00 -1.94 -0.66 116.42 115.77 1kht h ASP 181 Ca 0.20 -0.02 -0.09 0.00 -0.00 0.00 0.00 57.03 57.12 1kht h ASP 181 Cb 0.13 -0.12 -0.01 0.00 -0.00 0.00 0.00 39.33 39.34 1kht h ASP 181 CO -0.05 0.37 -0.16 -0.61 -0.00 0.00 0.00 179.24 178.78 1kht h GLN 182 N 0.53 0.64 -0.36 4.15 5.75 -1.62 -1.85 115.11 122.35 1kht h GLN 182 Ca 0.14 -0.29 -0.04 0.00 -0.15 0.00 0.00 58.65 58.31 1kht h GLN 182 Cb 0.01 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 1kht h GLN 182 CO -0.02 0.88 0.07 0.00 -2.65 0.00 0.00 178.83 177.10 1kht h ALA 183 N 0.75 0.47 -0.84 3.38 0.00 -1.24 -2.35 119.26 119.43 1kht h ALA 183 Ca 0.06 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1kht h ALA 183 Cb 0.69 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1kht h ALA 183 CO 0.05 0.16 0.53 0.28 0.00 0.00 0.00 179.25 180.27 1kht h VAL 184 N 0.43 1.09 -0.25 0.00 2.07 -1.09 0.17 116.25 118.67 1kht h VAL 184 Ca 0.11 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1kht h VAL 184 Cb 0.33 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1kht h VAL 184 CO 0.00 0.18 0.14 -0.08 0.02 0.00 0.00 177.57 177.84 1kht h GLU 185 N 1.00 0.34 -0.46 1.57 4.57 -1.16 -0.23 114.58 120.21 1kht h GLU 185 Ca 0.35 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.46 1kht h GLU 185 Cb 0.08 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1kht h GLU 185 CO -0.14 0.30 0.15 1.49 -1.18 0.00 0.00 179.01 179.64 1kht h GLU 186 N 0.29 0.71 -0.83 1.92 4.81 -0.81 -2.11 114.58 118.56 1kht h GLU 186 Ca 0.09 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1kht h GLU 186 Cb 0.06 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1kht h GLU 186 CO -0.01 0.67 0.39 -0.07 -0.73 0.00 0.00 179.01 179.25 1kht h LEU 187 N 0.60 1.09 -0.62 1.64 -0.00 -0.52 -1.86 115.31 115.64 1kht h LEU 187 Ca 0.15 -0.14 0.01 0.00 -0.00 0.00 0.00 57.88 57.90 1kht h LEU 187 Cb 0.25 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.60 1kht h LEU 187 CO -0.01 0.93 0.41 0.74 -0.00 0.00 0.00 178.44 180.51 1kht h THR 188 N 1.18 1.15 -0.47 0.22 2.02 -0.79 -0.20 112.91 116.03 1kht h THR 188 Ca 0.28 -0.29 -0.11 0.00 0.77 0.00 0.00 66.41 67.06 1kht h THR 188 Cb 0.13 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1kht h THR 188 CO -0.03 0.15 -0.15 0.78 0.37 0.00 0.00 175.52 176.64 1kht h ASN 189 N 0.84 0.95 0.58 4.18 -0.26 -1.04 -2.59 115.58 118.23 1kht h ASN 189 Ca 0.23 -0.37 -0.19 0.00 -0.56 0.00 0.00 56.30 55.41 1kht h ASN 189 Cb -0.09 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 36.90 1kht h ASN 189 CO -0.05 1.11 -0.83 -0.37 -1.06 0.00 0.00 177.43 176.22 1kht h VAL 190 N 0.78 1.49 0.00 2.81 -1.51 -1.16 -3.14 116.25 115.52 1kht h VAL 190 Ca 0.12 -2.55 0.00 0.00 -1.23 0.00 0.00 66.70 63.03 1kht h VAL 190 Cb 0.71 2.41 0.00 0.00 -2.13 0.00 0.00 31.29 32.28 1kht h VAL 190 CO 0.05 0.74 0.00 -0.07 -1.23 0.00 0.00 177.57 177.07 1kht h LEU 191 N 0.10 0.00 0.00 4.19 3.38 -1.02 -3.52 115.31 118.44 1kht h LEU 191 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1kht h LEU 191 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1kht h LEU 191 CO 0.12 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.51