#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kem n ILE 2 N 0.00 0.00 0.00 -3.67 5.41 0.28 -4.60 119.36 116.78 2kem n ILE 2 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2kem n ILE 2 Cb 0.00 -0.07 0.00 0.00 -0.71 0.00 0.00 39.64 38.86 2kem n ILE 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2kem n LEU 3 N -1.09 1.34 0.06 1.39 0.00 -1.26 -2.85 117.00 114.59 2kem n LEU 3 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 56.01 56.09 2kem n LEU 3 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.36 2kem n LEU 3 CO 0.00 0.17 -0.24 -1.14 0.00 0.00 0.00 177.39 176.18 2kem n ARG 4 N -2.31 0.62 -0.10 1.96 0.00 -1.26 -4.32 116.66 111.24 2kem n ARG 4 Ca 0.00 0.08 -0.21 0.00 -0.00 0.00 0.00 57.85 57.72 2kem n ARG 4 Cb 0.31 -1.76 -0.11 0.00 0.00 0.00 0.00 32.46 30.91 2kem n ARG 4 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2kem n HIS 5 N -2.65 0.94 0.00 -0.14 8.25 -1.26 -4.95 115.22 115.41 2kem n HIS 5 Ca -0.04 0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 2kem n HIS 5 Cb 0.64 -1.07 0.00 0.00 1.12 0.00 0.00 29.99 30.69 2kem n HIS 5 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2kem n SER 6 N -4.44 0.00 -3.05 0.41 3.41 -1.26 -4.73 113.62 103.96 2kem n SER 6 Ca -0.31 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 2kem n SER 6 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 2kem n SER 6 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2kem n MET 7 N -0.30 1.10 -4.05 4.33 1.56 -1.13 -0.56 117.12 118.07 2kem n MET 7 Ca 0.00 0.00 -0.36 0.00 -0.27 0.00 0.00 57.70 57.07 2kem n MET 7 Cb 0.00 0.00 -0.08 0.00 2.15 0.00 0.00 33.22 35.29 2kem n MET 7 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2kem s ASP 8 N -1.05 5.85 0.23 6.12 1.11 -1.26 -4.84 116.67 122.83 2kem s ASP 8 Ca 0.00 0.27 -0.16 0.00 0.18 0.00 0.00 52.55 52.84 2kem s ASP 8 Cb 0.00 -1.86 0.26 0.00 1.07 0.00 0.00 42.92 42.39 2kem s ASP 8 CO 0.00 0.33 1.56 -0.65 1.18 0.00 0.00 175.17 177.59 2kem h PRO 9 N 5.51 -0.02 -0.99 8.23 0.10 -1.97 0.39 132.00 143.26 2kem h PRO 9 Ca -0.49 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 65.59 2kem h PRO 9 Cb 1.20 0.01 -0.02 0.00 0.10 0.00 0.00 31.00 32.29 2kem h PRO 9 CO 0.61 -0.01 0.03 -0.35 0.10 0.00 0.00 178.00 178.38 2kem n PRO 10 N -5.49 1.19 -0.04 1.05 -0.04 -1.26 -4.00 135.00 126.40 2kem n PRO 10 Ca 0.10 -0.26 -0.04 0.00 -0.04 0.00 0.00 63.50 63.26 2kem n PRO 10 Cb 0.41 -1.28 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 2kem n PRO 10 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2kem n THR 11 N 0.24 0.75 -0.09 0.52 -1.04 0.14 -4.32 114.28 110.48 2kem n THR 11 Ca 0.04 0.33 -0.16 0.00 -2.04 0.00 0.00 64.05 62.22 2kem n THR 11 Cb 0.49 -1.94 -0.08 0.00 -1.82 0.00 0.00 70.33 66.99 2kem n THR 11 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2kem n PHE 12 N -3.49 0.86 0.33 -1.42 3.01 -1.25 -1.86 117.46 113.64 2kem n PHE 12 Ca -0.06 0.37 0.22 0.00 1.01 0.00 0.00 57.45 58.99 2kem n PHE 12 Cb 0.23 -0.95 1.17 0.00 -0.01 0.00 0.00 39.48 39.92 2kem n PHE 12 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2kem h THR 13 N -1.00 0.05 0.00 4.37 1.03 -1.88 1.36 112.91 116.85 2kem h THR 13 Ca -0.24 -0.04 -0.15 0.00 -0.01 0.00 0.00 66.41 65.97 2kem h THR 13 Cb 1.04 1.03 -0.02 0.00 -1.07 0.00 0.00 68.15 69.13 2kem h THR 13 CO -0.15 0.00 -1.07 0.33 -0.01 0.00 0.00 175.52 174.62 2kem n PHE 14 N -3.15 0.84 -0.03 0.00 7.35 -1.26 -4.06 117.46 117.15 2kem n PHE 14 Ca -0.03 0.36 -0.21 0.00 -0.76 0.00 0.00 57.45 56.82 2kem n PHE 14 Cb 0.09 -0.93 -0.13 0.00 0.35 0.00 0.00 39.48 38.85 2kem n PHE 14 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2kem n ASN 15 N -4.49 2.08 -0.04 -2.13 3.02 -0.78 -4.18 115.26 108.75 2kem n ASN 15 Ca -0.24 0.17 0.13 0.00 -0.03 0.00 0.00 54.58 54.61 2kem n ASN 15 Cb 0.53 -0.79 0.76 0.00 -0.61 0.00 0.00 39.78 39.67 2kem n ASN 15 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2kem n PHE 16 N -3.53 0.01 -3.25 3.10 3.01 0.45 -4.38 117.46 112.87 2kem n PHE 16 Ca -0.35 -0.00 -0.46 0.00 1.01 0.00 0.00 57.45 57.65 2kem n PHE 16 Cb 1.01 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.44 2kem n PHE 16 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 2kem s ASN 17 N -1.82 6.47 -0.37 4.37 2.47 -0.25 -4.70 114.94 121.10 2kem s ASN 17 Ca 0.39 -2.12 -0.12 0.00 0.42 0.00 0.00 52.86 51.43 2kem s ASN 17 Cb 0.18 -2.24 0.02 0.00 -1.45 0.00 0.00 41.25 37.75 2kem s ASN 17 CO 0.31 -0.80 0.38 -3.20 -3.72 0.00 0.00 177.10 170.06 2kem n ASN 18 N 5.03 -7.73 -3.82 -4.21 5.15 -1.26 -4.91 115.26 103.51 2kem n ASN 18 Ca 0.02 0.78 -0.30 0.00 -0.60 0.00 0.00 54.58 54.47 2kem n ASN 18 Cb 0.44 -4.89 -0.14 0.00 -0.53 0.00 0.00 39.78 34.66 2kem n ASN 18 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2kem s GLU 19 N -2.19 1.29 0.29 1.20 2.12 -1.26 -4.98 118.70 115.17 2kem s GLU 19 Ca 0.17 -1.85 -0.01 0.00 0.36 0.00 0.00 54.97 53.64 2kem s GLU 19 Cb -0.04 -2.59 0.44 0.00 0.26 0.00 0.00 34.13 32.20 2kem s GLU 19 CO 0.75 -1.06 1.86 -1.00 -0.54 0.00 0.00 175.26 175.26 2kem h PRO 20 N 7.21 0.83 -1.12 4.30 0.13 -1.95 -3.45 132.00 137.95 2kem h PRO 20 Ca -0.06 -0.15 0.19 0.00 -0.87 0.00 0.00 66.00 65.12 2kem h PRO 20 Cb 0.96 -0.14 -0.32 0.00 0.13 0.00 0.00 31.00 31.64 2kem h PRO 20 CO 0.52 0.71 0.68 -0.46 -0.23 0.00 0.00 178.00 179.22 2kem s TRP 21 N -5.30 -0.16 1.21 1.56 -0.00 -1.26 -4.98 118.94 110.00 2kem s TRP 21 Ca -0.10 0.32 -0.15 0.00 -0.00 0.00 0.00 56.10 56.17 2kem s TRP 21 Cb 0.16 0.10 0.29 0.00 -0.00 0.00 0.00 33.47 34.02 2kem s TRP 21 CO 0.79 -0.08 1.02 0.14 -0.00 0.00 0.00 176.95 178.82 2kem s VAL 22 N 1.13 1.81 0.00 5.86 -7.23 -1.26 -4.97 120.40 115.74 2kem s VAL 22 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.09 2kem s VAL 22 Cb -0.02 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.75 2kem s VAL 22 CO -0.11 0.00 0.86 0.54 -0.31 0.00 0.00 175.10 176.08 2kem n ARG 23 N -4.97 0.00 -3.44 4.82 3.00 -1.26 -4.67 116.66 110.14 2kem n ARG 23 Ca 0.06 0.48 -0.21 0.00 -0.01 0.00 0.00 57.85 58.17 2kem n ARG 23 Cb 0.56 -1.36 -0.11 0.00 0.00 0.00 0.00 32.46 31.55 2kem n ARG 23 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2kem s GLY 24 N -0.72 0.11 0.07 -0.13 0.00 -1.26 -5.05 107.32 100.34 2kem s GLY 24 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.03 2kem s GLY 24 CO 0.00 2.46 0.00 0.54 0.00 0.00 0.00 173.10 176.10 2kem n ARG 25 N 5.12 -5.28 -2.93 2.90 1.74 -1.26 -4.98 116.66 111.97 2kem n ARG 25 Ca -0.01 3.81 -0.30 0.00 -0.77 0.00 0.00 57.85 60.58 2kem n ARG 25 Cb 0.44 -4.56 -0.03 0.00 -1.02 0.00 0.00 32.46 27.29 2kem n ARG 25 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2kem s HIS 26 N -0.57 3.47 -0.53 -1.55 2.46 -1.26 -4.93 115.29 112.38 2kem s HIS 26 Ca 0.00 0.97 -0.05 0.00 0.47 0.00 0.00 55.06 56.45 2kem s HIS 26 Cb 0.00 -2.38 -0.12 0.00 -0.13 0.00 0.00 32.58 29.95 2kem s HIS 26 CO 0.00 -0.07 2.43 -1.91 -2.47 0.00 0.00 174.74 172.72 2kem n GLU 27 N -1.27 1.87 0.00 2.88 2.13 -1.26 -4.71 120.64 120.28 2kem n GLU 27 Ca 0.02 -1.13 0.00 0.00 0.66 0.00 0.00 57.16 56.70 2kem n GLU 27 Cb 0.54 -2.17 0.00 0.00 0.27 0.00 0.00 31.44 30.08 2kem n GLU 27 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2kem n THR 28 N 3.36 0.00 -3.74 6.31 -1.04 -1.26 -4.52 114.28 113.39 2kem n THR 28 Ca 0.40 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 62.26 2kem n THR 28 Cb 0.38 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.74 2kem n THR 28 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2kem s TYR 29 N 0.00 -0.07 -0.02 -1.42 -0.85 -1.26 -1.64 117.35 112.10 2kem s TYR 29 Ca 0.00 0.34 0.02 0.00 -0.52 0.00 0.00 57.07 56.91 2kem s TYR 29 Cb 0.00 -0.20 -0.00 0.00 0.38 0.00 0.00 41.96 42.13 2kem s TYR 29 CO 0.00 -0.15 -0.08 -0.48 -1.52 0.00 0.00 175.55 173.32 2kem s LEU 30 N 1.36 1.89 -0.02 -3.49 0.05 -0.44 -3.42 118.68 114.61 2kem s LEU 30 Ca -0.06 -0.16 -0.19 0.00 0.05 0.00 0.00 54.13 53.77 2kem s LEU 30 Cb -0.12 -0.47 -0.05 0.00 -2.05 0.00 0.00 46.19 43.49 2kem s LEU 30 CO -0.04 0.08 0.53 0.00 -0.55 0.00 0.00 176.35 176.37 2kem s TYR 32 N -0.31 3.42 -0.18 0.00 1.13 -1.12 -0.11 117.35 120.19 2kem s TYR 32 Ca 0.28 0.35 -0.02 0.00 -1.41 0.00 0.00 57.07 56.27 2kem s TYR 32 Cb -0.17 -1.84 0.05 0.00 -1.10 0.00 0.00 41.96 38.90 2kem s TYR 32 CO 0.15 0.62 0.01 -2.00 -2.51 0.00 0.00 175.55 171.82 2kem s GLU 33 N -1.34 0.84 0.07 -3.49 2.12 -0.65 -2.62 118.70 113.63 2kem s GLU 33 Ca 0.19 -0.40 0.07 0.00 0.36 0.00 0.00 54.97 55.19 2kem s GLU 33 Cb -0.12 -1.97 -0.03 0.00 0.26 0.00 0.00 34.13 32.27 2kem s GLU 33 CO 0.09 -0.56 -0.20 0.14 -0.54 0.00 0.00 175.26 174.19 2kem s VAL 34 N 1.80 1.59 0.48 3.70 -7.23 -1.22 0.46 120.40 119.98 2kem s VAL 34 Ca -0.00 -1.34 0.07 0.00 -1.81 0.00 0.00 61.98 58.90 2kem s VAL 34 Cb -0.16 -1.42 0.02 0.00 0.56 0.00 0.00 36.38 35.37 2kem s VAL 34 CO -0.07 0.04 0.46 -1.61 -0.31 0.00 0.00 175.10 173.60 2kem s GLU 35 N -1.53 2.41 -0.28 4.82 2.02 -0.84 -4.78 118.70 120.52 2kem s GLU 35 Ca 0.06 -1.71 -0.05 0.00 0.02 0.00 0.00 54.97 53.29 2kem s GLU 35 Cb -0.09 -2.34 0.01 0.00 0.10 0.00 0.00 34.13 31.81 2kem s GLU 35 CO 0.03 -0.44 0.03 1.03 0.02 0.00 0.00 175.26 175.93 2kem s ARG 36 N -4.27 3.03 -0.30 1.61 0.52 0.02 -2.00 118.95 117.55 2kem s ARG 36 Ca 0.46 -0.88 -0.16 0.00 -0.52 0.00 0.00 55.73 54.63 2kem s ARG 36 Cb -0.03 -3.24 -0.02 0.00 0.52 0.00 0.00 34.95 32.17 2kem s ARG 36 CO 0.28 -0.42 0.39 -1.64 0.02 0.00 0.00 175.30 173.93 2kem s MET 37 N 1.44 3.81 -0.72 3.54 -1.94 0.25 0.75 119.30 126.44 2kem s MET 37 Ca 0.02 -0.13 0.04 0.00 -1.71 0.00 0.00 55.69 53.91 2kem s MET 37 Cb -0.17 -3.73 0.30 0.00 2.01 0.00 0.00 34.83 33.24 2kem s MET 37 CO 0.00 -0.41 1.04 0.72 -0.01 0.00 0.00 175.02 176.36 2kem n HIS 38 N 5.42 3.53 -3.84 -0.03 8.25 -0.95 -3.68 115.22 123.92 2kem n HIS 38 Ca -0.08 -3.72 -0.25 0.00 -0.26 0.00 0.00 57.72 53.41 2kem n HIS 38 Cb 0.50 -0.69 0.00 0.00 1.12 0.00 0.00 29.99 30.92 2kem n HIS 38 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2kem n ASN 39 N 0.40 -1.18 0.00 0.41 3.02 -1.26 -3.15 115.26 113.50 2kem n ASN 39 Ca 0.32 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.92 2kem n ASN 39 Cb 0.38 -3.40 0.00 0.00 -0.61 0.00 0.00 39.78 36.15 2kem n ASN 39 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2kem n ASP 40 N -2.97 0.00 -4.91 6.41 2.03 -1.26 -5.12 116.55 110.73 2kem n ASP 40 Ca -0.28 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.75 2kem n ASP 40 Cb 0.67 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.08 2kem n ASP 40 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2kem s THR 41 N -0.83 4.43 -0.43 5.18 2.01 -1.19 -5.07 115.64 119.74 2kem s THR 41 Ca 0.00 0.19 0.06 0.00 0.31 0.00 0.00 61.69 62.26 2kem s THR 41 Cb 0.00 -3.71 0.18 0.00 0.01 0.00 0.00 72.50 68.97 2kem s THR 41 CO 0.00 -0.74 0.57 -1.66 -0.69 0.00 0.00 174.62 172.10 2kem s TRP 42 N -2.88 -1.13 -0.94 4.92 -2.14 -0.92 -2.24 118.94 113.61 2kem s TRP 42 Ca 0.51 -0.41 -0.24 0.00 2.66 0.00 0.00 56.10 58.62 2kem s TRP 42 Cb -0.10 0.04 0.04 0.00 -3.10 0.00 0.00 33.47 30.34 2kem s TRP 42 CO 0.46 -1.12 1.46 0.08 -2.66 0.00 0.00 176.95 175.16 2kem s VAL 43 N 1.38 3.83 0.00 -0.66 1.01 0.23 -4.61 120.40 121.58 2kem s VAL 43 Ca 0.21 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2kem s VAL 43 Cb -0.06 -4.93 0.00 0.00 0.00 0.00 0.00 36.38 31.39 2kem s VAL 43 CO -0.06 -1.83 0.03 2.29 0.00 0.00 0.00 175.10 175.53 2kem n LYS 44 N 9.00 0.00 -2.70 2.72 2.85 -1.26 -0.80 118.16 127.96 2kem n LYS 44 Ca 0.27 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.45 2kem n LYS 44 Cb 0.50 -0.37 0.03 0.00 -0.65 0.00 0.00 35.03 34.54 2kem n LYS 44 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2kem n LEU 45 N -0.33 -4.87 0.00 -5.58 4.32 -1.26 -4.73 117.00 104.55 2kem n LEU 45 Ca 0.00 -0.36 0.12 0.00 -0.02 0.00 0.00 56.01 55.75 2kem n LEU 45 Cb 0.00 -2.51 -0.03 0.00 -1.62 0.00 0.00 43.42 39.26 2kem n LEU 45 CO 0.00 -0.21 -0.16 -3.20 -1.22 0.00 0.00 177.39 172.60 2kem n ASN 46 N -2.35 -6.73 -3.16 -1.43 5.15 -1.26 -4.82 115.26 100.66 2kem n ASN 46 Ca -0.03 0.92 -0.12 0.00 -0.60 0.00 0.00 54.58 54.75 2kem n ASN 46 Cb 0.56 -2.63 0.11 0.00 -0.53 0.00 0.00 39.78 37.30 2kem n ASN 46 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kem n GLN 47 N -3.10 -2.32 0.00 1.20 10.64 -1.26 -4.80 117.38 117.74 2kem n GLN 47 Ca 0.01 -0.56 0.00 0.00 -1.83 0.00 0.00 57.00 54.61 2kem n GLN 47 Cb 0.39 -0.83 0.00 0.00 -0.86 0.00 0.00 30.24 28.94 2kem n GLN 47 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2kem n ARG 48 N -2.78 0.00 0.00 2.61 5.12 -1.23 -4.83 116.66 115.55 2kem n ARG 48 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2kem n ARG 48 Cb 0.23 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.53 2kem n ARG 48 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2kem n ARG 49 N -0.25 0.00 0.00 5.56 5.12 -1.18 -5.05 116.66 120.86 2kem n ARG 49 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2kem n ARG 49 Cb 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2kem n ARG 49 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kem n GLY 50 N 0.00 1.62 0.00 -0.13 0.00 -1.08 -4.85 105.19 100.75 2kem n GLY 50 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.79 2kem n GLY 50 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kem n PHE 51 N -1.06 0.00 -1.96 1.61 7.35 -0.47 -2.78 117.46 120.16 2kem n PHE 51 Ca 0.00 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.44 2kem n PHE 51 Cb 0.00 0.00 0.17 0.00 0.35 0.00 0.00 39.48 40.00 2kem n PHE 51 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2kem n LEU 52 N 0.00 0.00 -3.14 -2.13 7.99 -1.19 -4.71 117.00 113.82 2kem n LEU 52 Ca 0.00 -1.41 0.01 0.00 -0.01 0.00 0.00 56.01 54.59 2kem n LEU 52 Cb 0.00 -0.86 -0.01 0.00 -0.11 0.00 0.00 43.42 42.45 2kem n LEU 52 CO 0.00 -1.28 0.12 0.00 -1.51 0.00 0.00 177.39 174.72 2kem s ALA 53 N -3.83 -2.51 0.11 -1.18 0.00 -1.26 -1.32 121.76 111.77 2kem s ALA 53 Ca 0.66 0.24 0.09 0.00 0.00 0.00 0.00 51.96 52.95 2kem s ALA 53 Cb -0.02 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 2kem s ALA 53 CO 0.46 -2.24 -0.24 1.21 0.00 0.00 0.00 175.76 174.95 2kem s ASN 54 N 1.76 2.91 0.18 0.00 2.47 -0.65 -4.76 114.94 116.84 2kem s ASN 54 Ca 0.17 -0.71 0.10 0.00 0.42 0.00 0.00 52.86 52.84 2kem s ASN 54 Cb -0.03 -0.18 -0.04 0.00 -1.45 0.00 0.00 41.25 39.55 2kem s ASN 54 CO -0.07 0.12 -0.18 -1.58 -3.72 0.00 0.00 177.10 171.66 2kem s GLN 55 N -1.95 1.74 -0.94 0.43 0.74 -1.16 -0.56 119.66 117.95 2kem s GLN 55 Ca 0.10 -1.39 -0.02 0.00 0.05 0.00 0.00 55.36 54.11 2kem s GLN 55 Cb -0.10 -1.99 0.27 0.00 1.10 0.00 0.00 33.01 32.29 2kem s GLN 55 CO 0.05 0.42 1.13 0.00 -0.55 0.00 0.00 175.29 176.34 2kem n ALA 56 N 0.28 4.53 -0.99 1.58 0.00 -1.21 -4.06 120.51 120.63 2kem n ALA 56 Ca -0.12 -4.74 -0.30 0.00 0.00 0.00 0.00 53.44 48.27 2kem n ALA 56 Cb 0.55 -1.89 0.25 0.00 0.00 0.00 0.00 19.45 18.36 2kem n ALA 56 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kem s PRO 57 N -2.26 -1.43 -0.55 0.00 0.04 -1.26 -4.82 135.00 124.71 2kem s PRO 57 Ca 0.32 -0.04 0.06 0.00 0.04 0.00 0.00 61.00 61.38 2kem s PRO 57 Cb 0.03 -1.57 0.21 0.00 0.04 0.00 0.00 34.50 33.21 2kem s PRO 57 CO 0.01 -3.85 0.54 0.72 0.04 0.00 0.00 177.00 174.45 2kem n HIS 58 N -4.87 1.64 -3.68 0.56 8.25 -1.26 -4.62 115.22 111.24 2kem n HIS 58 Ca 0.13 -3.88 -0.14 0.00 -0.26 0.00 0.00 57.72 53.57 2kem n HIS 58 Cb 0.59 -0.35 -0.14 0.00 1.12 0.00 0.00 29.99 31.22 2kem n HIS 58 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2kem s LYS 59 N -1.35 0.14 0.54 -0.41 -2.85 -1.26 -5.11 119.74 109.45 2kem s LYS 59 Ca 0.33 0.66 0.00 0.00 -1.00 0.00 0.00 55.97 55.96 2kem s LYS 59 Cb 0.08 -0.09 0.00 0.00 -2.06 0.00 0.00 37.83 35.76 2kem s LYS 59 CO -0.12 -0.26 0.00 1.58 0.10 0.00 0.00 175.35 176.66 2kem n HIS 60 N 5.05 -3.94 0.57 1.78 -0.00 -1.26 -4.31 115.22 113.10 2kem n HIS 60 Ca -0.11 2.14 0.11 0.00 -0.00 0.00 0.00 57.72 59.86 2kem n HIS 60 Cb 0.51 -3.36 0.45 0.00 -0.00 0.00 0.00 29.99 27.58 2kem n HIS 60 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kem n GLY 61 N -2.54 -1.33 0.37 1.57 0.00 -1.26 -3.33 105.19 98.67 2kem n GLY 61 Ca -0.00 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 2kem n GLY 61 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2kem h PHE 62 N 0.00 1.06 -4.39 1.61 3.04 -2.05 -3.42 116.94 112.80 2kem h PHE 62 Ca 0.00 0.03 -0.50 0.00 3.98 0.00 0.00 57.97 61.48 2kem h PHE 62 Cb 0.43 -0.34 0.08 0.00 2.56 0.00 0.00 35.95 38.68 2kem h PHE 62 CO 0.00 0.47 0.40 -0.51 -2.02 0.00 0.00 178.31 176.65 2kem s LEU 63 N -10.08 3.03 -0.05 0.59 1.43 -1.21 -5.02 118.68 107.37 2kem s LEU 63 Ca -0.11 1.33 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 2kem s LEU 63 Cb 0.21 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 2kem s LEU 63 CO 0.80 -1.24 -0.03 -0.62 0.23 0.00 0.00 176.35 175.49 2kem n GLU 64 N -2.97 0.93 -0.00 1.70 1.02 -1.26 -5.04 120.64 115.02 2kem n GLU 64 Ca 0.07 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2kem n GLU 64 Cb 0.55 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 2kem n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kem n GLY 65 N 3.10 0.80 3.07 0.62 0.00 -1.26 -5.04 105.19 106.48 2kem n GLY 65 Ca -0.09 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 2kem n GLY 65 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kem s ARG 66 N -1.83 0.81 0.41 1.61 3.03 -1.26 -4.77 118.95 116.96 2kem s ARG 66 Ca 0.00 -0.51 0.08 0.00 2.03 0.00 0.00 55.73 57.33 2kem s ARG 66 Cb 0.00 -0.78 -0.02 0.00 -1.03 0.00 0.00 34.95 33.12 2kem s ARG 66 CO 0.00 0.20 0.39 -1.01 -1.13 0.00 0.00 175.30 173.76 2kem s HIS 67 N -0.52 2.73 0.46 5.89 3.76 -1.25 -3.01 115.29 123.35 2kem s HIS 67 Ca 0.02 -0.47 0.34 0.00 -0.15 0.00 0.00 55.06 54.79 2kem s HIS 67 Cb -0.06 -2.18 1.49 0.00 1.11 0.00 0.00 32.58 32.95 2kem s HIS 67 CO 0.00 -0.14 1.61 0.00 -0.85 0.00 0.00 174.74 175.37 2kem h ALA 68 N 1.00 2.93 0.54 -1.40 0.00 -1.03 0.92 119.26 122.23 2kem h ALA 68 Ca -0.41 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2kem h ALA 68 Cb 1.27 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2kem h ALA 68 CO 0.56 -1.56 -0.29 0.93 0.00 0.00 0.00 179.25 178.90 2kem h GLU 69 N 0.06 -0.74 -0.42 0.00 3.07 -1.91 0.56 114.58 115.20 2kem h GLU 69 Ca 0.84 0.05 0.04 0.00 -0.50 0.00 0.00 59.36 59.79 2kem h GLU 69 Cb 2.79 0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 30.85 2kem h GLU 69 CO -0.36 -0.49 0.28 -0.07 -1.40 0.00 0.00 179.01 176.97 2kem h LEU 70 N -0.77 0.35 -1.31 1.33 4.07 0.37 0.75 115.31 120.10 2kem h LEU 70 Ca -0.07 -0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.85 2kem h LEU 70 Cb 0.60 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 2kem h LEU 70 CO 0.10 0.24 0.07 0.00 -1.08 0.00 0.00 178.44 177.77 2kem h PHE 72 N 0.53 1.07 -0.35 0.00 3.57 0.57 -1.61 116.94 120.72 2kem h PHE 72 Ca 0.12 -0.26 0.10 0.00 3.53 0.00 0.00 57.97 61.47 2kem h PHE 72 Cb 0.23 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2kem h PHE 72 CO 0.01 1.06 0.37 -0.07 -2.23 0.00 0.00 178.31 177.45 2kem h LEU 73 N 0.77 0.00 0.05 0.59 4.07 0.10 0.50 115.31 121.40 2kem h LEU 73 Ca 0.10 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.80 2kem h LEU 73 Cb 0.76 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.48 2kem h LEU 73 CO 0.06 0.00 -1.37 -0.78 -1.08 0.00 0.00 178.44 175.27 2kem h ASP 74 N 0.00 0.16 -0.99 -0.43 3.58 -0.64 -3.33 116.42 114.77 2kem h ASP 74 Ca 0.17 -0.22 0.08 0.00 0.42 0.00 0.00 57.03 57.48 2kem h ASP 74 Cb 0.91 -0.05 -0.07 0.00 1.72 0.00 0.00 39.33 41.83 2kem h ASP 74 CO -0.00 1.18 0.63 -0.37 -2.88 0.00 0.00 179.24 177.80 2kem h VAL 75 N 0.03 1.03 0.28 2.25 -1.51 0.72 -2.77 116.25 116.28 2kem h VAL 75 Ca -0.17 -0.38 -0.01 0.00 -1.23 0.00 0.00 66.70 64.92 2kem h VAL 75 Cb 1.93 -0.17 -0.01 0.00 -2.13 0.00 0.00 31.29 30.91 2kem h VAL 75 CO 0.13 0.20 -0.26 0.40 -1.23 0.00 0.00 177.57 176.81 2kem h ILE 76 N 1.10 0.00 -1.16 7.19 1.08 -1.59 2.50 117.51 126.62 2kem h ILE 76 Ca 0.45 0.00 0.34 0.00 -0.39 0.00 0.00 64.86 65.26 2kem h ILE 76 Cb 0.28 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.98 2kem h ILE 76 CO -0.21 0.00 0.89 -0.65 -0.69 0.00 0.00 178.15 177.50 2kem h PRO 77 N -0.53 0.00 0.02 2.37 0.11 -1.66 0.24 132.00 132.55 2kem h PRO 77 Ca -0.04 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.72 2kem h PRO 77 Cb 0.46 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.51 2kem h PRO 77 CO -0.02 0.00 -2.15 0.34 -0.21 0.00 0.00 178.00 175.96 2kem n PHE 78 N -4.03 0.48 0.11 0.65 -0.00 -1.00 -4.13 117.46 109.55 2kem n PHE 78 Ca 0.25 0.15 0.18 0.00 -0.00 0.00 0.00 57.45 58.03 2kem n PHE 78 Cb 1.27 -1.08 0.76 0.00 -0.00 0.00 0.00 39.48 40.43 2kem n PHE 78 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.76 175.27 2kem h TRP 79 N 0.01 0.00 -0.28 -5.13 4.06 0.77 -3.44 115.95 111.94 2kem h TRP 79 Ca -0.46 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.37 2kem h TRP 79 Cb 2.09 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 30.20 2kem h TRP 79 CO 0.02 0.00 -0.11 1.63 -3.56 0.00 0.00 178.44 176.42 2kem n LYS 80 N -3.99 -0.47 -1.62 0.49 4.76 -0.62 -4.87 118.16 111.84 2kem n LYS 80 Ca 0.05 0.67 -0.55 0.00 -2.87 0.00 0.00 58.31 55.62 2kem n LYS 80 Cb 0.48 -4.42 -0.07 0.00 -1.84 0.00 0.00 35.03 29.18 2kem n LYS 80 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2kem n LEU 81 N -0.67 1.60 0.00 -0.35 -0.00 -1.13 0.09 117.00 116.54 2kem n LEU 81 Ca -0.06 1.12 0.00 0.00 -0.00 0.00 0.00 56.01 57.07 2kem n LEU 81 Cb 0.21 -1.13 0.00 0.00 -0.00 0.00 0.00 43.42 42.50 2kem n LEU 81 CO 0.09 -0.99 0.00 -0.67 -0.00 0.00 0.00 177.39 175.82 2kem n ASP 82 N 3.15 0.00 -0.29 1.96 2.03 0.27 -4.43 116.55 119.25 2kem n ASP 82 Ca 0.21 0.00 0.25 0.00 0.52 0.00 0.00 54.79 55.77 2kem n ASP 82 Cb 0.15 0.00 0.58 0.00 -0.72 0.00 0.00 41.12 41.14 2kem n ASP 82 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2kem h LEU 83 N 0.00 0.29 0.00 -2.67 -0.00 -1.90 -2.92 115.31 108.11 2kem h LEU 83 Ca 0.00 0.05 -0.25 0.00 -0.00 0.00 0.00 57.88 57.68 2kem h LEU 83 Cb 0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.62 2kem h LEU 83 CO 0.00 0.07 -1.88 0.47 -0.00 0.00 0.00 178.44 177.10 2kem n ASP 84 N -4.47 2.04 -3.64 0.17 9.92 0.11 -5.07 116.55 115.62 2kem n ASP 84 Ca 0.23 0.05 -0.10 0.00 -0.53 0.00 0.00 54.79 54.44 2kem n ASP 84 Cb 0.92 -0.35 -0.07 0.00 -0.64 0.00 0.00 41.12 40.99 2kem n ASP 84 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2kem s GLN 85 N -2.30 0.54 -0.23 -1.24 -0.21 -1.10 -5.06 119.66 110.06 2kem s GLN 85 Ca -0.21 0.63 -0.19 0.00 0.02 0.00 0.00 55.36 55.60 2kem s GLN 85 Cb 0.07 0.26 -0.03 0.00 1.00 0.00 0.00 33.01 34.31 2kem s GLN 85 CO 0.32 -0.07 0.58 0.34 -2.12 0.00 0.00 175.29 174.34 2kem s ASP 86 N 0.21 6.57 0.08 5.90 2.15 -1.24 0.96 116.67 131.31 2kem s ASP 86 Ca 0.03 0.69 0.04 0.00 0.43 0.00 0.00 52.55 53.74 2kem s ASP 86 Cb -0.05 -2.32 -0.04 0.00 -0.30 0.00 0.00 42.92 40.22 2kem s ASP 86 CO -0.05 -0.28 0.00 -0.31 -0.17 0.00 0.00 175.17 174.36 2kem s TYR 87 N 2.08 3.01 -0.83 -5.34 1.51 -1.26 0.85 117.35 117.37 2kem s TYR 87 Ca 0.25 -0.01 -0.16 0.00 -1.01 0.00 0.00 57.07 56.15 2kem s TYR 87 Cb -0.16 -1.56 0.18 0.00 -0.11 0.00 0.00 41.96 40.32 2kem s TYR 87 CO 0.09 0.48 0.86 1.03 -1.11 0.00 0.00 175.55 176.90 2kem s ARG 88 N -2.22 3.55 0.10 -0.62 1.81 -0.85 -2.47 118.95 118.24 2kem s ARG 88 Ca 0.25 -2.16 -0.29 0.00 -1.72 0.00 0.00 55.73 51.81 2kem s ARG 88 Cb -0.12 -4.55 -0.06 0.00 -0.45 0.00 0.00 34.95 29.77 2kem s ARG 88 CO 0.18 -1.45 0.94 0.08 -0.68 0.00 0.00 175.30 174.36 2kem s VAL 89 N 1.10 4.55 -0.35 3.52 1.01 0.37 -1.99 120.40 128.62 2kem s VAL 89 Ca 0.21 2.01 -0.00 0.00 0.00 0.00 0.00 61.98 64.20 2kem s VAL 89 Cb -0.10 -4.30 0.13 0.00 0.00 0.00 0.00 36.38 32.11 2kem s VAL 89 CO -0.08 0.31 0.20 0.42 0.00 0.00 0.00 175.10 175.95 2kem s THR 90 N 0.05 0.36 0.28 3.92 -4.23 0.17 -0.64 115.64 115.56 2kem s THR 90 Ca 0.46 -1.69 -0.15 0.00 -1.18 0.00 0.00 61.69 59.14 2kem s THR 90 Cb -0.23 -1.27 -0.08 0.00 1.34 0.00 0.00 72.50 72.25 2kem s THR 90 CO 0.29 -0.92 0.69 0.00 -0.54 0.00 0.00 174.62 174.15 2kem s PHE 92 N -1.85 3.48 0.46 0.00 0.40 0.84 -1.65 117.98 119.66 2kem s PHE 92 Ca 0.50 -3.09 0.01 0.00 -0.60 0.00 0.00 56.93 53.75 2kem s PHE 92 Cb -0.12 -2.87 0.00 0.00 0.51 0.00 0.00 43.02 40.54 2kem s PHE 92 CO 0.19 -0.85 0.68 0.99 0.70 0.00 0.00 175.22 176.93 2kem s THR 93 N 0.32 3.82 0.18 0.64 2.01 -1.17 -2.36 115.64 119.08 2kem s THR 93 Ca 0.14 -0.54 0.08 0.00 0.31 0.00 0.00 61.69 61.69 2kem s THR 93 Cb -0.22 -3.41 -0.13 0.00 0.01 0.00 0.00 72.50 68.74 2kem s THR 93 CO -0.04 -0.28 1.42 -1.28 -0.69 0.00 0.00 174.62 173.74 2kem h SER 94 N 0.37 0.00 -5.16 3.53 0.87 -1.84 -3.33 113.55 108.00 2kem h SER 94 Ca -0.45 -0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.02 2kem h SER 94 Cb 1.26 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.18 2kem h SER 94 CO 0.56 0.84 0.11 -1.66 -0.53 0.00 0.00 176.83 176.16 2kem s TRP 95 N -3.09 0.35 1.04 2.24 1.48 -1.26 -3.34 118.94 116.35 2kem s TRP 95 Ca 0.00 -0.85 -0.17 0.00 -1.06 0.00 0.00 56.10 54.02 2kem s TRP 95 Cb 0.11 0.52 0.09 0.00 -1.16 0.00 0.00 33.47 33.04 2kem s TRP 95 CO 0.80 -1.37 -0.05 0.43 -4.06 0.00 0.00 176.95 172.70 2kem n SER 96 N -1.20 -2.74 0.00 -2.66 7.64 -1.19 -4.77 113.62 108.70 2kem n SER 96 Ca -0.05 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.60 2kem n SER 96 Cb 0.60 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2kem n SER 96 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2kem n PRO 97 N -1.24 0.00 0.00 1.43 -0.04 -1.26 -4.90 135.00 128.98 2kem n PRO 97 Ca 0.03 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2kem n PRO 97 Cb 0.50 -0.54 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 2kem n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kem h PHE 99 N 0.00 1.03 -0.89 0.00 -5.15 -1.88 -0.87 116.94 109.19 2kem h PHE 99 Ca 0.00 0.03 0.11 0.00 -0.20 0.00 0.00 57.97 57.91 2kem h PHE 99 Cb 0.00 -0.34 -0.07 0.00 0.22 0.00 0.00 35.95 35.76 2kem h PHE 99 CO 0.00 0.57 0.57 0.77 -2.00 0.00 0.00 178.31 178.22 2kem h SER 100 N 1.05 0.76 0.61 -0.68 0.02 -1.96 0.50 113.55 113.85 2kem h SER 100 Ca 0.36 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.21 2kem h SER 100 Cb 0.07 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2kem h SER 100 CO -0.14 0.43 -0.61 0.00 -1.14 0.00 0.00 176.83 175.37 2kem h ALA 102 N 1.39 1.39 0.01 0.00 0.00 0.13 0.63 119.26 122.82 2kem h ALA 102 Ca -0.01 0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 2kem h ALA 102 Cb 1.08 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.76 2kem h ALA 102 CO 0.08 0.07 -1.01 1.96 0.00 0.00 0.00 179.25 180.35 2kem h GLN 103 N 0.81 0.53 0.41 0.00 4.20 -1.22 -2.11 115.11 117.73 2kem h GLN 103 Ca 0.48 -0.59 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 2kem h GLN 103 Cb 0.57 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2kem h GLN 103 CO -0.31 1.21 -0.20 0.93 -0.67 0.00 0.00 178.83 179.80 2kem h GLU 104 N 0.29 -0.53 -0.23 1.46 4.39 -0.94 -1.88 114.58 117.14 2kem h GLU 104 Ca -0.11 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2kem h GLU 104 Cb 1.66 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.41 2kem h GLU 104 CO 0.19 -0.26 0.07 0.52 -1.16 0.00 0.00 179.01 178.36 2kem h MET 105 N -1.06 0.32 0.65 2.33 2.86 0.07 -2.88 114.93 117.22 2kem h MET 105 Ca -0.06 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 2kem h MET 105 Cb 0.52 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.12 2kem h MET 105 CO 0.09 0.29 -0.31 0.00 1.06 0.00 0.00 176.91 178.04 2kem h ALA 106 N 1.76 -0.94 -0.93 6.32 0.00 -1.41 0.88 119.26 124.94 2kem h ALA 106 Ca 0.08 -0.19 0.27 0.00 0.00 0.00 0.00 54.91 55.07 2kem h ALA 106 Cb 0.11 0.34 -0.16 0.00 0.00 0.00 0.00 17.79 18.07 2kem h ALA 106 CO -0.01 -0.87 0.16 -0.22 0.00 0.00 0.00 179.25 178.31 2kem h LYS 107 N -1.14 0.08 0.09 0.00 3.64 -1.22 3.56 116.57 121.59 2kem h LYS 107 Ca -0.09 -0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 59.03 2kem h LYS 107 Cb 0.67 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 2kem h LYS 107 CO 0.15 0.06 -1.31 0.35 -2.27 0.00 0.00 179.45 176.42 2kem h PHE 108 N 0.09 0.35 0.04 1.91 3.57 -1.50 -2.78 116.94 118.62 2kem h PHE 108 Ca 0.60 -0.25 -0.36 0.00 3.53 0.00 0.00 57.97 61.48 2kem h PHE 108 Cb 1.27 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.95 2kem h PHE 108 CO -0.35 1.51 -2.15 -0.89 -2.23 0.00 0.00 178.31 174.20 2kem n ILE 109 N -4.03 1.60 -0.08 1.41 5.41 0.30 -2.21 119.36 121.77 2kem n ILE 109 Ca -0.25 -0.69 -0.11 0.00 1.00 0.00 0.00 62.75 62.69 2kem n ILE 109 Cb 0.84 -1.30 -0.07 0.00 -0.71 0.00 0.00 39.64 38.41 2kem n ILE 109 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2kem h SER 110 N 0.03 0.00 0.59 4.38 0.87 0.59 0.22 113.55 120.22 2kem h SER 110 Ca -0.46 -0.35 -0.08 0.00 -1.23 0.00 0.00 61.79 59.67 2kem h SER 110 Cb 2.03 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.98 2kem h SER 110 CO 0.03 0.99 -0.40 0.50 -0.53 0.00 0.00 176.83 177.42 2kem h LYS 111 N -1.00 0.00 0.00 2.24 3.64 0.30 -3.37 116.57 118.38 2kem h LYS 111 Ca -0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2kem h LYS 111 Cb 0.77 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2kem h LYS 111 CO -0.07 0.40 -0.32 -1.71 -2.27 0.00 0.00 179.45 175.48 2kem n ASN 112 N -3.78 0.67 -1.71 4.20 2.85 -1.05 -4.98 115.26 111.46 2kem n ASN 112 Ca -0.01 0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 2kem n ASN 112 Cb 0.47 -0.52 0.00 0.00 1.24 0.00 0.00 39.78 40.97 2kem n ASN 112 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2kem n LYS 113 N -3.17 -3.91 -0.49 1.20 4.76 0.06 -4.96 118.16 111.65 2kem n LYS 113 Ca -0.04 2.93 -0.01 0.00 -2.87 0.00 0.00 58.31 58.32 2kem n LYS 113 Cb 0.16 -3.16 -0.01 0.00 -1.84 0.00 0.00 35.03 30.19 2kem n LYS 113 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2kem n HIS 114 N 1.34 0.00 -3.47 2.13 1.44 -1.26 -5.04 115.22 110.36 2kem n HIS 114 Ca 0.00 -0.04 -0.10 0.00 -2.01 0.00 0.00 57.72 55.56 2kem n HIS 114 Cb 0.00 0.26 -0.02 0.00 0.12 0.00 0.00 29.99 30.35 2kem n HIS 114 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2kem s VAL 115 N 0.00 0.00 -0.21 0.61 0.11 -1.26 -4.41 120.40 115.24 2kem s VAL 115 Ca 0.00 -0.04 -0.07 0.00 -2.93 0.00 0.00 61.98 58.94 2kem s VAL 115 Cb 0.00 -1.04 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 2kem s VAL 115 CO 0.00 0.00 0.06 -0.55 -3.33 0.00 0.00 175.10 171.28 2kem s SER 116 N -2.65 5.35 -0.19 3.54 0.15 -1.03 -4.96 113.70 113.91 2kem s SER 116 Ca 0.03 -0.05 -0.00 0.00 0.70 0.00 0.00 55.95 56.62 2kem s SER 116 Cb -0.01 -1.93 0.05 0.00 -1.71 0.00 0.00 66.02 62.42 2kem s SER 116 CO -0.11 0.09 -0.04 -0.76 1.20 0.00 0.00 173.24 173.62 2kem s LEU 117 N 0.87 1.86 -0.43 3.45 2.01 -1.13 0.14 118.68 125.46 2kem s LEU 117 Ca 0.03 -0.86 0.04 0.00 0.01 0.00 0.00 54.13 53.36 2kem s LEU 117 Cb -0.14 -0.95 0.11 0.00 0.01 0.00 0.00 46.19 45.22 2kem s LEU 117 CO 0.02 -0.22 0.15 0.00 1.01 0.00 0.00 176.35 177.32 2kem s ILE 119 N 0.34 5.03 -0.65 0.00 1.09 -0.28 0.37 121.20 127.10 2kem s ILE 119 Ca 0.14 -1.42 -0.25 0.00 -1.10 0.00 0.00 60.65 58.02 2kem s ILE 119 Cb -0.22 -4.49 0.04 0.00 -1.06 0.00 0.00 42.46 36.73 2kem s ILE 119 CO -0.04 -1.10 1.10 -1.59 -0.10 0.00 0.00 174.94 173.21 2kem s LYS 120 N 2.02 3.26 -0.20 2.79 0.00 -0.66 -0.97 119.74 125.97 2kem s LYS 120 Ca 0.13 -0.32 -0.15 0.00 0.00 0.00 0.00 55.97 55.62 2kem s LYS 120 Cb -0.21 -4.14 -0.04 0.00 0.00 0.00 0.00 37.83 33.45 2kem s LYS 120 CO 0.01 -1.83 0.38 -0.08 0.00 0.00 0.00 175.35 173.84 2kem s THR 121 N 4.74 5.21 0.27 3.79 -1.32 0.31 -3.07 115.64 125.58 2kem s THR 121 Ca 0.32 0.67 -0.01 0.00 -1.21 0.00 0.00 61.69 61.45 2kem s THR 121 Cb -0.11 -3.71 0.28 0.00 -1.51 0.00 0.00 72.50 67.44 2kem s THR 121 CO 0.16 0.26 1.87 0.00 -2.21 0.00 0.00 174.62 174.71 2kem h ALA 122 N 7.36 1.44 -2.47 11.08 0.00 -1.66 0.02 119.26 135.03 2kem h ALA 122 Ca -0.36 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 2kem h ALA 122 Cb 1.16 -0.28 -0.26 0.00 0.00 0.00 0.00 17.79 18.41 2kem h ALA 122 CO 0.71 0.39 -0.29 -0.98 0.00 0.00 0.00 179.25 179.09 2kem s ARG 123 N -6.01 0.40 -0.14 0.00 3.03 -1.25 -4.56 118.95 110.42 2kem s ARG 123 Ca -0.12 1.00 -0.29 0.00 2.03 0.00 0.00 55.73 58.35 2kem s ARG 123 Cb 0.21 0.24 -0.03 0.00 -1.03 0.00 0.00 34.95 34.33 2kem s ARG 123 CO 0.81 -0.21 1.50 0.42 -1.13 0.00 0.00 175.30 176.70 2kem s ILE 124 N 2.13 3.86 -0.05 4.99 1.01 -1.26 -3.20 121.20 128.67 2kem s ILE 124 Ca -0.06 1.02 -0.37 0.00 0.00 0.00 0.00 60.65 61.24 2kem s ILE 124 Cb -0.10 -3.73 -0.16 0.00 0.01 0.00 0.00 42.46 38.48 2kem s ILE 124 CO -0.14 -0.17 1.56 0.00 0.00 0.00 0.00 174.94 176.19 2kem n TYR 125 N 7.33 1.86 -4.03 3.97 4.19 -1.26 -4.93 117.16 124.29 2kem n TYR 125 Ca 0.16 0.50 -0.31 0.00 3.31 0.00 0.00 57.90 61.56 2kem n TYR 125 Cb 0.44 -2.43 -0.15 0.00 0.49 0.00 0.00 39.34 37.69 2kem n TYR 125 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 2kem s ASP 126 N 1.97 4.62 0.00 2.98 -1.08 -1.26 -3.69 116.67 120.21 2kem s ASP 126 Ca 0.90 -1.86 0.00 0.00 -0.52 0.00 0.00 52.55 51.06 2kem s ASP 126 Cb -0.94 -1.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 2kem s ASP 126 CO 0.53 -0.31 0.00 0.47 0.52 0.00 0.00 175.17 176.38 2kem n ASP 127 N 4.34 0.00 -4.46 -0.34 8.00 -1.26 -4.92 116.55 117.91 2kem n ASP 127 Ca -0.03 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.03 2kem n ASP 127 Cb 0.42 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.52 2kem n ASP 127 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2kem s GLN 128 N 0.00 4.08 0.00 -1.24 -1.52 -1.26 -4.31 119.66 115.41 2kem s GLN 128 Ca 0.00 -2.59 0.00 0.00 -1.95 0.00 0.00 55.36 50.82 2kem s GLN 128 Cb 0.00 -5.04 0.00 0.00 -0.22 0.00 0.00 33.01 27.75 2kem s GLN 128 CO 0.00 -1.74 0.00 0.41 -0.25 0.00 0.00 175.29 173.71 2kem n GLY 129 N 4.09 3.00 3.06 3.09 0.00 -1.26 -4.43 105.19 112.74 2kem n GLY 129 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2kem n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kem n ARG 130 N -0.27 0.00 -1.12 1.61 1.74 -1.25 -3.86 116.66 113.51 2kem n ARG 130 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 2kem n ARG 130 Cb 0.00 -1.91 -0.02 0.00 -1.02 0.00 0.00 32.46 29.51 2kem n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kem n ALA 131 N 0.35 -0.06 -0.29 7.54 0.00 -1.24 -4.27 120.51 122.53 2kem n ALA 131 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.54 2kem n ALA 131 Cb 0.00 -1.49 0.24 0.00 0.00 0.00 0.00 19.45 18.20 2kem n ALA 131 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2kem h GLN 132 N 0.07 1.00 -0.04 0.00 4.20 -1.86 -0.73 115.11 117.75 2kem h GLN 132 Ca -0.08 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.40 2kem h GLN 132 Cb 0.98 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 2kem h GLN 132 CO 0.12 0.66 -0.70 1.49 -0.67 0.00 0.00 178.83 179.74 2kem h GLU 133 N 1.03 0.19 0.04 1.46 4.57 -1.88 -1.86 114.58 118.14 2kem h GLU 133 Ca 0.38 -0.16 0.03 0.00 -1.18 0.00 0.00 59.36 58.43 2kem h GLU 133 Cb 0.16 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 2kem h GLU 133 CO -0.13 0.81 -0.23 0.78 -1.18 0.00 0.00 179.01 179.05 2kem h GLY 134 N 1.66 -0.37 2.00 1.92 0.00 -1.34 -2.32 103.07 104.63 2kem h GLY 134 Ca -0.02 0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.54 2kem h GLY 134 CO 0.10 -0.20 -0.25 1.41 0.00 0.00 0.00 176.54 177.60 2kem h LEU 135 N -0.39 0.00 0.36 3.11 4.07 -1.56 -2.87 115.31 118.04 2kem h LEU 135 Ca 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 2kem h LEU 135 Cb 0.45 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 2kem h LEU 135 CO -0.18 0.25 -0.31 0.08 -1.08 0.00 0.00 178.44 177.19 2kem h ARG 136 N 0.00 -0.64 -0.12 1.13 0.11 -0.82 1.28 114.38 115.33 2kem h ARG 136 Ca -0.00 0.04 -0.12 0.00 0.10 0.00 0.00 59.98 60.00 2kem h ARG 136 Cb 1.19 0.15 -0.01 0.00 1.11 0.00 0.00 29.97 32.40 2kem h ARG 136 CO 0.03 -0.43 -0.47 1.15 0.10 0.00 0.00 179.97 180.36 2kem h THR 137 N -0.66 1.33 0.06 0.08 2.02 -1.56 -2.17 112.91 112.01 2kem h THR 137 Ca -0.05 -1.66 -0.00 0.00 0.77 0.00 0.00 66.41 65.47 2kem h THR 137 Cb 0.56 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 2kem h THR 137 CO -0.01 0.50 -0.03 -0.07 0.37 0.00 0.00 175.52 176.28 2kem h LEU 138 N 0.24 -0.07 -1.63 2.58 3.38 -1.33 -1.71 115.31 116.77 2kem h LEU 138 Ca 0.01 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.15 2kem h LEU 138 Cb 0.92 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2kem h LEU 138 CO 0.08 -0.02 0.69 0.00 0.09 0.00 0.00 178.44 179.28 2kem h ALA 139 N -1.91 2.31 0.01 1.53 0.00 1.17 1.38 119.26 123.74 2kem h ALA 139 Ca -0.01 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2kem h ALA 139 Cb 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2kem h ALA 139 CO 0.01 -0.98 -0.86 0.93 0.00 0.00 0.00 179.25 178.35 2kem h GLU 140 N 0.00 0.07 0.00 0.00 4.39 -1.33 -3.40 114.58 114.31 2kem h GLU 140 Ca 0.26 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2kem h GLU 140 Cb 1.65 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 2kem h GLU 140 CO -0.00 0.89 0.00 0.00 -1.16 0.00 0.00 179.01 178.74 2kem n ALA 141 N -2.41 0.00 0.21 3.43 0.00 0.41 -4.98 120.51 117.17 2kem n ALA 141 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.54 2kem n ALA 141 Cb 0.81 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.42 2kem n ALA 141 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kem h GLY 142 N 0.00 0.00 0.00 0.00 0.00 0.26 -3.17 103.07 100.16 2kem h GLY 142 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kem h GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2kem n ALA 143 N -2.11 0.00 -1.92 3.60 0.00 0.23 -4.51 120.51 115.80 2kem n ALA 143 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 2kem n ALA 143 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 2kem n ALA 143 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kem s LYS 144 N 0.00 2.38 -0.76 0.00 2.20 0.22 0.17 119.74 123.95 2kem s LYS 144 Ca 0.00 0.32 -0.25 0.00 -0.36 0.00 0.00 55.97 55.68 2kem s LYS 144 Cb 0.00 -4.75 0.04 0.00 -1.51 0.00 0.00 37.83 31.62 2kem s LYS 144 CO 0.00 -3.32 1.23 0.42 -0.36 0.00 0.00 175.35 173.32 2kem s ILE 145 N 10.73 3.89 0.71 5.43 -1.09 -1.26 -1.12 121.20 138.49 2kem s ILE 145 Ca 0.76 0.07 -0.05 0.00 -2.23 0.00 0.00 60.65 59.20 2kem s ILE 145 Cb -0.11 -4.88 0.09 0.00 -1.58 0.00 0.00 42.46 35.98 2kem s ILE 145 CO 0.11 -1.78 1.00 -0.44 -1.23 0.00 0.00 174.94 172.60 2kem s SER 146 N 3.86 4.57 -0.27 3.58 0.01 -0.15 -4.88 113.70 120.43 2kem s SER 146 Ca 0.34 0.14 -0.16 0.00 1.31 0.00 0.00 55.95 57.58 2kem s SER 146 Cb -0.09 -0.69 -0.03 0.00 0.21 0.00 0.00 66.02 65.42 2kem s SER 146 CO 0.11 -1.72 0.41 -0.63 0.41 0.00 0.00 173.24 171.81 2kem s ILE 147 N -3.21 5.15 -1.29 1.44 1.09 -1.26 -0.53 121.20 122.58 2kem s ILE 147 Ca 0.63 0.65 -0.16 0.00 -1.10 0.00 0.00 60.65 60.67 2kem s ILE 147 Cb -0.08 -3.73 0.10 0.00 -1.06 0.00 0.00 42.46 37.68 2kem s ILE 147 CO 0.44 0.14 1.72 0.80 -0.10 0.00 0.00 174.94 177.95 2kem n MET 148 N 5.37 3.23 -0.96 2.79 1.56 -0.01 -4.68 117.12 124.42 2kem n MET 148 Ca -0.07 -3.36 0.00 0.00 -0.27 0.00 0.00 57.70 53.99 2kem n MET 148 Cb 0.50 -3.33 0.00 0.00 2.15 0.00 0.00 33.22 32.54 2kem n MET 148 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2kem n THR 149 N 5.66 0.00 -0.28 1.12 -2.24 -1.26 -4.06 114.28 113.21 2kem n THR 149 Ca 0.46 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.32 2kem n THR 149 Cb 0.44 -0.81 0.18 0.00 -2.10 0.00 0.00 70.33 68.03 2kem n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kem n TYR 150 N -0.66 0.41 0.17 4.78 0.18 -1.26 0.32 117.16 121.10 2kem n TYR 150 Ca 0.00 0.98 -0.12 0.00 1.88 0.00 0.00 57.90 60.64 2kem n TYR 150 Cb 0.00 -1.04 -0.07 0.00 -0.38 0.00 0.00 39.34 37.85 2kem n TYR 150 CO 0.00 0.00 0.00 0.77 -2.08 0.00 0.00 176.86 175.55 2kem h SER 151 N 0.00 -0.41 0.39 9.48 0.02 -1.94 -0.85 113.55 120.25 2kem h SER 151 Ca 0.44 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2kem h SER 151 Cb 0.81 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2kem h SER 151 CO -0.79 0.02 0.00 -0.08 -1.14 0.00 0.00 176.83 174.84 2kem h GLU 152 N -0.95 0.00 0.21 3.45 4.57 -1.36 -2.82 114.58 117.67 2kem h GLU 152 Ca -0.05 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2kem h GLU 152 Cb 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 2kem h GLU 152 CO 0.08 0.00 -0.10 0.35 -1.18 0.00 0.00 179.01 178.16 2kem h PHE 153 N 0.00 -0.26 -0.94 0.92 3.57 0.54 0.78 116.94 121.56 2kem h PHE 153 Ca 0.00 -0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.76 2kem h PHE 153 Cb 0.20 0.08 -0.14 0.00 2.79 0.00 0.00 35.95 38.88 2kem h PHE 153 CO 0.00 -0.08 0.39 0.87 -2.23 0.00 0.00 178.31 177.26 2kem h LYS 154 N -1.05 0.27 -0.41 1.11 1.57 -0.91 1.44 116.57 118.59 2kem h LYS 154 Ca -0.03 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 2kem h LYS 154 Cb 0.29 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2kem h LYS 154 CO 0.05 0.18 -0.17 1.25 -0.57 0.00 0.00 179.45 180.19 2kem h HIS 155 N 0.28 0.95 0.05 -1.35 2.76 -1.56 -2.88 115.15 113.40 2kem h HIS 155 Ca 0.63 -0.23 -0.00 0.00 -2.20 0.00 0.00 60.37 58.57 2kem h HIS 155 Cb 1.35 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 30.08 2kem h HIS 155 CO -0.14 0.99 -0.02 0.00 -1.30 0.00 0.00 177.93 177.45 2kem h TRP 157 N -0.15 -0.05 0.00 0.00 2.91 0.11 0.49 115.95 119.26 2kem h TRP 157 Ca -0.01 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2kem h TRP 157 Cb 0.13 0.03 0.00 0.00 -0.51 0.00 0.00 29.16 28.80 2kem h TRP 157 CO -0.05 -0.01 0.00 -0.25 -1.03 0.00 0.00 178.44 177.10 2kem n ASP 158 N -2.89 0.00 -0.15 2.65 9.92 -1.09 0.99 116.55 125.98 2kem n ASP 158 Ca -0.00 0.15 -0.10 0.00 -0.53 0.00 0.00 54.79 54.30 2kem n ASP 158 Cb 0.01 -0.30 -0.01 0.00 -0.64 0.00 0.00 41.12 40.18 2kem n ASP 158 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kem h THR 159 N 0.00 1.27 0.00 -3.53 1.03 0.28 -3.40 112.91 108.56 2kem h THR 159 Ca 0.00 -1.07 -0.01 0.00 -0.01 0.00 0.00 66.41 65.32 2kem h THR 159 Cb 0.11 1.12 -0.00 0.00 -1.07 0.00 0.00 68.15 68.31 2kem h THR 159 CO 0.00 0.36 -1.03 0.33 -0.01 0.00 0.00 175.52 175.18 2kem n PHE 160 N -4.39 0.00 -3.05 0.00 -0.00 -1.02 -4.80 117.46 104.21 2kem n PHE 160 Ca -0.01 0.00 -0.44 0.00 -0.00 0.00 0.00 57.45 57.00 2kem n PHE 160 Cb 0.31 -0.02 -0.04 0.00 -0.00 0.00 0.00 39.48 39.74 2kem n PHE 160 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2kem s VAL 161 N -2.01 4.73 0.17 -2.13 0.11 0.28 -3.40 120.40 118.14 2kem s VAL 161 Ca -0.01 -0.95 -0.25 0.00 -2.93 0.00 0.00 61.98 57.83 2kem s VAL 161 Cb 0.00 -4.56 0.04 0.00 -1.53 0.00 0.00 36.38 30.33 2kem s VAL 161 CO 0.01 -1.23 1.57 0.44 -3.33 0.00 0.00 175.10 172.56 2kem h ASP 162 N 9.19 -1.45 0.00 3.54 5.19 -1.78 -3.04 116.42 128.07 2kem h ASP 162 Ca -0.24 0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kem h ASP 162 Cb 1.08 0.66 0.00 0.00 0.18 0.00 0.00 39.33 41.25 2kem h ASP 162 CO 1.11 -0.34 0.00 0.00 -3.12 0.00 0.00 179.24 176.89 2kem n HIS 163 N -5.41 0.00 -0.05 4.55 1.44 -1.26 -4.67 115.22 109.83 2kem n HIS 163 Ca 0.01 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.72 2kem n HIS 163 Cb 0.35 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.46 2kem n HIS 163 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2kem n GLN 164 N 0.00 0.10 0.00 -1.40 3.00 -1.26 -3.10 117.38 114.72 2kem n GLN 164 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2kem n GLN 164 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 28.76 2kem n GLN 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2kem n GLY 165 N 2.23 1.28 3.16 1.08 0.00 -1.26 -4.94 105.19 106.73 2kem n GLY 165 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2kem n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kem s ALA 166 N -1.78 1.91 0.00 4.61 0.00 -1.18 -5.06 121.76 120.26 2kem s ALA 166 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2kem s ALA 166 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.38 2kem s ALA 166 CO 0.00 0.23 0.00 -0.35 0.00 0.00 0.00 175.76 175.64 2kem n PRO 167 N 3.62 0.00 -3.75 0.00 -0.04 -1.26 -4.02 135.00 129.54 2kem n PRO 167 Ca -0.20 0.41 -0.28 0.00 -0.04 0.00 0.00 63.50 63.38 2kem n PRO 167 Cb 0.53 -0.90 -0.16 0.00 -0.04 0.00 0.00 33.50 32.92 2kem n PRO 167 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2kem s PHE 168 N -0.97 1.18 0.11 0.54 0.08 -1.26 -4.77 117.98 112.90 2kem s PHE 168 Ca 0.00 -0.99 -0.31 0.00 0.12 0.00 0.00 56.93 55.75 2kem s PHE 168 Cb 0.00 -1.11 -0.08 0.00 -0.57 0.00 0.00 43.02 41.26 2kem s PHE 168 CO 0.00 -0.64 1.40 -1.14 -0.10 0.00 0.00 175.22 174.74 2kem s GLN 169 N 1.80 4.31 -0.11 0.44 2.00 -1.26 -4.95 119.66 121.90 2kem s GLN 169 Ca -0.01 2.09 -0.21 0.00 -2.00 0.00 0.00 55.36 55.23 2kem s GLN 169 Cb -0.17 -3.26 -0.27 0.00 0.80 0.00 0.00 33.01 30.10 2kem s GLN 169 CO -0.09 -0.45 0.67 -1.00 -0.50 0.00 0.00 175.29 173.92 2kem h PRO 170 N 6.86 0.18 0.00 1.67 0.13 -2.00 -3.41 132.00 135.43 2kem h PRO 170 Ca -0.42 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 2kem h PRO 170 Cb 1.21 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2kem h PRO 170 CO 0.87 1.15 0.00 1.87 -0.23 0.00 0.00 178.00 181.66 2kem n TRP 171 N -4.20 0.00 0.00 1.56 -0.00 -1.26 -4.77 117.44 108.78 2kem n TRP 171 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.31 2kem n TRP 171 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.07 2kem n TRP 171 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 2kem n ASP 172 N 1.98 0.00 -0.14 5.87 2.03 -1.26 -4.62 116.55 120.41 2kem n ASP 172 Ca 0.00 0.00 0.28 0.00 0.52 0.00 0.00 54.79 55.59 2kem n ASP 172 Cb 0.00 0.00 0.71 0.00 -0.72 0.00 0.00 41.12 41.11 2kem n ASP 172 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2kem h GLY 173 N 0.00 0.00 2.00 0.27 0.00 -2.02 1.11 103.07 104.44 2kem h GLY 173 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kem h GLY 173 CO 0.00 0.00 -0.01 0.17 0.00 0.00 0.00 176.54 176.70 2kem h LEU 174 N 0.00 0.00 -0.48 3.11 -0.00 -1.88 -1.76 115.31 114.30 2kem h LEU 174 Ca 0.40 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 58.13 2kem h LEU 174 Cb 1.79 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.45 2kem h LEU 174 CO -0.00 0.01 -0.34 -0.78 -0.00 0.00 0.00 178.44 177.33 2kem h ASP 175 N 0.00 0.94 -0.43 0.17 1.82 0.95 0.28 116.42 120.15 2kem h ASP 175 Ca -0.00 -0.40 -0.01 0.00 -0.39 0.00 0.00 57.03 56.23 2kem h ASP 175 Cb 0.44 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 2kem h ASP 175 CO 0.00 1.18 0.24 -0.08 -1.61 0.00 0.00 179.24 178.97 2kem h GLU 176 N 0.74 0.59 0.00 0.28 4.81 -1.34 -0.07 114.58 119.60 2kem h GLU 176 Ca 0.07 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2kem h GLU 176 Cb 0.91 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 2kem h GLU 176 CO 0.08 0.47 -0.10 0.45 -0.73 0.00 0.00 179.01 179.18 2kem h HIS 177 N 0.56 0.00 0.17 0.92 3.86 -1.21 -2.16 115.15 117.29 2kem h HIS 177 Ca 0.15 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.37 2kem h HIS 177 Cb 0.04 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 2kem h HIS 177 CO -0.02 0.10 -0.18 1.03 0.86 0.00 0.00 177.93 179.71 2kem h SER 178 N 0.00 -0.49 0.46 2.45 0.87 0.15 2.82 113.55 119.81 2kem h SER 178 Ca -0.00 0.05 -0.15 0.00 -1.23 0.00 0.00 61.79 60.45 2kem h SER 178 Cb 0.55 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 2kem h SER 178 CO 0.01 -0.27 -0.67 0.06 -0.53 0.00 0.00 176.83 175.44 2kem h GLN 179 N -0.39 0.19 0.00 2.24 3.07 -1.35 -2.21 115.11 116.67 2kem h GLN 179 Ca 0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 58.65 58.60 2kem h GLN 179 Cb 0.37 0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.96 2kem h GLN 179 CO -0.05 0.78 -0.00 -0.44 0.09 0.00 0.00 178.83 179.21 2kem h ASP 180 N 0.13 -0.00 -0.69 0.06 5.19 -0.94 -2.45 116.42 117.72 2kem h ASP 180 Ca -0.01 0.00 0.13 0.00 -0.62 0.00 0.00 57.03 56.53 2kem h ASP 180 Cb 1.19 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.57 2kem h ASP 180 CO 0.10 0.02 -0.27 0.25 -3.12 0.00 0.00 179.24 176.22 2kem h LEU 181 N -0.04 -0.96 -0.54 1.55 6.46 0.49 0.24 115.31 122.50 2kem h LEU 181 Ca -0.00 0.23 0.02 0.00 -0.12 0.00 0.00 57.88 58.01 2kem h LEU 181 Cb 0.00 0.54 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 2kem h LEU 181 CO 0.00 -0.28 0.33 -1.28 -0.62 0.00 0.00 178.44 176.59 2kem h SER 182 N -0.07 0.53 -0.50 1.25 0.87 -1.32 -0.03 113.55 114.28 2kem h SER 182 Ca 0.30 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 61.01 2kem h SER 182 Cb 0.55 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2kem h SER 182 CO -0.75 0.38 0.38 1.23 -0.53 0.00 0.00 176.83 177.54 2kem h GLY 183 N 0.65 0.00 0.75 5.77 0.00 -0.08 0.42 103.07 110.58 2kem h GLY 183 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.40 2kem h GLY 183 CO -0.09 0.00 -0.57 3.21 0.00 0.00 0.00 176.54 179.09 2kem h ARG 184 N 0.00 0.39 -0.92 4.80 -0.00 0.46 -1.28 114.38 117.83 2kem h ARG 184 Ca 0.24 -0.42 0.22 0.00 -0.50 0.00 0.00 59.98 59.52 2kem h ARG 184 Cb 1.00 0.12 -0.12 0.00 0.00 0.00 0.00 29.97 30.96 2kem h ARG 184 CO -0.00 1.09 0.44 -0.07 0.00 0.00 0.00 179.97 181.42 2kem h LEU 185 N -0.14 0.41 0.00 3.04 -0.00 0.15 1.59 115.31 120.35 2kem h LEU 185 Ca -0.07 0.15 -0.06 0.00 -0.00 0.00 0.00 57.88 57.90 2kem h LEU 185 Cb 1.29 0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 42.05 2kem h LEU 185 CO 0.11 0.03 -0.33 0.03 -0.00 0.00 0.00 178.44 178.28 2kem h ARG 186 N 0.44 0.00 0.00 1.13 -0.00 -1.39 -1.74 114.38 112.82 2kem h ARG 186 Ca 0.57 0.00 -0.22 0.00 -0.50 0.00 0.00 59.98 59.83 2kem h ARG 186 Cb 1.08 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.01 2kem h ARG 186 CO -0.51 0.28 -1.40 0.00 0.00 0.00 0.00 179.97 178.34 2kem h ALA 187 N 1.71 0.67 0.07 0.04 0.00 0.17 -3.25 119.26 118.67 2kem h ALA 187 Ca -0.01 -1.08 -0.36 0.00 0.00 0.00 0.00 54.91 53.47 2kem h ALA 187 Cb 1.22 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.26 2kem h ALA 187 CO 0.04 1.21 -2.07 0.44 0.00 0.00 0.00 179.25 178.86 2kem n ILE 188 N -3.04 1.66 -0.02 0.00 -5.35 0.48 -2.07 119.36 111.02 2kem n ILE 188 Ca -0.10 -0.68 -0.09 0.00 -0.27 0.00 0.00 62.75 61.61 2kem n ILE 188 Cb 0.93 -1.44 -0.02 0.00 -1.74 0.00 0.00 39.64 37.37 2kem n ILE 188 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2kem h LEU 189 N 0.04 -0.61 -3.20 7.28 -0.00 -1.46 -3.19 115.31 114.17 2kem h LEU 189 Ca -0.44 0.11 -0.12 0.00 -0.00 0.00 0.00 57.88 57.43 2kem h LEU 189 Cb 2.02 0.29 -0.15 0.00 -0.00 0.00 0.00 40.66 42.81 2kem h LEU 189 CO 0.05 -0.24 -0.68 0.00 -0.00 0.00 0.00 178.44 177.57 2kem n GLN 190 N -5.34 1.54 -2.34 1.13 6.02 -1.25 -4.82 117.38 112.32 2kem n GLN 190 Ca -0.02 -3.17 -0.09 0.00 -0.01 0.00 0.00 57.00 53.72 2kem n GLN 190 Cb 0.25 -1.38 -0.01 0.00 1.02 0.00 0.00 30.24 30.13 2kem n GLN 190 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2kem n ASN 191 N -0.71 -3.06 -4.56 1.08 2.85 -0.95 -4.81 115.26 105.09 2kem n ASN 191 Ca 0.19 0.27 -0.36 0.00 -0.11 0.00 0.00 54.58 54.58 2kem n ASN 191 Cb 0.83 -2.67 -0.04 0.00 1.24 0.00 0.00 39.78 39.13 2kem n ASN 191 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2kem s GLN 192 N -4.80 3.18 -0.24 1.20 -0.21 -0.88 -4.95 119.66 112.97 2kem s GLN 192 Ca 0.00 -0.76 -0.11 0.00 0.02 0.00 0.00 55.36 54.51 2kem s GLN 192 Cb 0.00 -5.20 -0.05 0.00 1.00 0.00 0.00 33.01 28.76 2kem s GLN 192 CO 0.00 -2.65 0.21 -2.00 -2.12 0.00 0.00 175.29 168.72 2kem s GLU 193 N 5.79 4.07 0.00 2.91 2.12 -1.26 -3.85 118.70 128.48 2kem s GLU 193 Ca 0.55 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.68 2kem s GLU 193 Cb -0.03 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.80 2kem s GLU 193 CO -0.05 0.01 0.00 0.09 -0.54 0.00 0.00 175.26 174.76