#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 -0.08 -3.67 5.41 0.35 -4.62 119.36 116.75 2kem n ILE 2 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 2kem n ILE 2 Cb 0.00 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.82 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 0.00 0.71 0.02 1.39 0.00 -1.26 -0.79 117.00 117.07 2kem n LEU 3 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 56.01 56.00 2kem n LEU 3 Cb 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 43.42 43.45 2kem n LEU 3 CO 0.00 0.48 -0.43 -1.14 0.00 0.00 0.00 177.39 176.31 2kem n ARG 4 N -2.68 0.63 -0.12 1.96 0.63 -1.26 -4.44 116.66 111.38 2kem n ARG 4 Ca -0.27 0.12 -0.26 0.00 -0.92 0.00 0.00 57.85 56.53 2kem n ARG 4 Cb 0.96 -1.73 -0.11 0.00 0.45 0.00 0.00 32.46 32.03 2kem n ARG 4 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2kem n HIS 5 N -2.76 0.49 0.00 -0.14 -0.00 -1.26 -5.01 115.22 106.54 2kem n HIS 5 Ca -0.11 0.20 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 2kem n HIS 5 Cb 0.80 -1.05 0.00 0.00 -0.00 0.00 0.00 29.99 29.74 2kem n HIS 5 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2kem n SER 6 N -4.27 0.00 -3.02 0.41 3.41 -1.16 -4.73 113.62 104.27 2kem n SER 6 Ca -0.44 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 2kem n SER 6 Cb 0.81 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 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 -0.40 1.76 -4.01 4.33 1.56 0.03 -0.49 117.12 119.89 2kem n MET 7 Ca 0.00 0.00 -0.35 0.00 -0.27 0.00 0.00 57.70 57.08 2kem n MET 7 Cb 0.00 0.00 -0.07 0.00 2.15 0.00 0.00 33.22 35.30 2kem n MET 7 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2kem s ASP 8 N -1.02 6.05 0.23 6.12 2.15 -1.26 -4.83 116.67 124.11 2kem s ASP 8 Ca 0.00 0.33 -0.07 0.00 0.43 0.00 0.00 52.55 53.24 2kem s ASP 8 Cb 0.00 -1.87 0.38 0.00 -0.30 0.00 0.00 42.92 41.13 2kem s ASP 8 CO 0.00 0.35 1.70 -0.65 -0.17 0.00 0.00 175.17 176.41 2kem h PRO 9 N 4.64 0.29 -0.94 4.34 0.11 -1.96 -0.33 132.00 138.15 2kem h PRO 9 Ca -0.52 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.46 2kem h PRO 9 Cb 1.21 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 2kem h PRO 9 CO 0.60 0.19 0.14 -0.35 -0.21 0.00 0.00 178.00 178.37 2kem n PRO 10 N -5.12 1.81 -0.04 1.05 -0.04 -1.26 -4.16 135.00 127.25 2kem n PRO 10 Ca 0.12 -1.09 -0.03 0.00 -0.04 0.00 0.00 63.50 62.45 2kem n PRO 10 Cb 0.38 -1.56 -0.01 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.03 0.72 -0.08 0.52 -1.04 -0.13 -4.24 114.28 110.06 2kem n THR 11 Ca 0.17 0.34 -0.10 0.00 -2.04 0.00 0.00 64.05 62.42 2kem n THR 11 Cb 0.79 -1.93 -0.04 0.00 -1.82 0.00 0.00 70.33 67.33 2kem n THR 11 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 2kem h PHE 12 N -0.49 0.00 0.00 -1.42 -1.00 -1.76 -2.19 116.94 110.08 2kem h PHE 12 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2kem h PHE 12 Cb 0.39 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.95 2kem h PHE 12 CO -0.17 0.45 0.00 0.00 -1.61 0.00 0.00 178.31 176.98 2kem h THR 13 N -1.00 0.00 0.00 -1.55 1.03 -1.88 1.37 112.91 110.88 2kem h THR 13 Ca -0.10 -0.05 -0.18 0.00 -0.01 0.00 0.00 66.41 66.07 2kem h THR 13 Cb 0.73 1.01 -0.03 0.00 -1.07 0.00 0.00 68.15 68.79 2kem h THR 13 CO -0.06 0.00 -1.16 0.33 -0.01 0.00 0.00 175.52 174.62 2kem n PHE 14 N -3.01 0.84 -0.06 0.00 -0.00 -1.26 -4.05 117.46 109.92 2kem n PHE 14 Ca -0.03 0.37 -0.21 0.00 -0.00 0.00 0.00 57.45 57.58 2kem n PHE 14 Cb 0.09 -0.97 -0.13 0.00 -0.00 0.00 0.00 39.48 38.48 2kem n PHE 14 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2kem n ASN 15 N -4.47 2.03 0.00 -2.13 5.03 -0.83 -4.23 115.26 110.66 2kem n ASN 15 Ca -0.26 0.15 0.14 0.00 0.87 0.00 0.00 54.58 55.48 2kem n ASN 15 Cb 0.57 -0.75 0.79 0.00 -1.02 0.00 0.00 39.78 39.38 2kem n ASN 15 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2kem n PHE 16 N -3.64 0.00 -3.25 3.10 3.01 0.45 -3.20 117.46 113.93 2kem n PHE 16 Ca -0.38 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 57.62 2kem n PHE 16 Cb 0.96 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 40.30 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 -2.20 6.48 -1.52 4.37 2.47 0.00 -4.45 114.94 120.09 2kem s ASN 17 Ca 0.37 -2.15 -0.06 0.00 0.42 0.00 0.00 52.86 51.44 2kem s ASN 17 Cb 0.19 -2.24 0.01 0.00 -1.45 0.00 0.00 41.25 37.76 2kem s ASN 17 CO 0.36 -0.79 0.73 -3.20 -3.72 0.00 0.00 177.10 170.48 2kem n ASN 18 N 4.98 -6.11 -3.67 -4.21 5.15 -1.26 -4.88 115.26 105.26 2kem n ASN 18 Ca 0.02 -0.35 -0.15 0.00 -0.60 0.00 0.00 54.58 53.50 2kem n ASN 18 Cb 0.44 -4.91 -0.08 0.00 -0.53 0.00 0.00 39.78 34.70 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 -5.86 0.77 0.34 1.20 2.12 -1.19 -5.10 118.70 110.99 2kem s GLU 19 Ca 0.37 0.19 -0.26 0.00 0.36 0.00 0.00 54.97 55.64 2kem s GLU 19 Cb -0.17 0.36 -0.10 0.00 0.26 0.00 0.00 34.13 34.49 2kem s GLU 19 CO 0.46 -0.20 0.96 -1.25 -0.54 0.00 0.00 175.26 174.69 2kem s PRO 20 N -0.86 4.50 -0.32 4.30 0.04 -1.25 -4.20 135.00 137.21 2kem s PRO 20 Ca -0.09 1.36 -0.35 0.00 0.04 0.00 0.00 61.00 61.96 2kem s PRO 20 Cb -0.03 -2.74 -0.11 0.00 0.04 0.00 0.00 34.50 31.66 2kem s PRO 20 CO 0.05 0.20 2.16 1.87 0.04 0.00 0.00 177.00 181.32 2kem n TRP 21 N 0.42 1.68 -1.04 0.56 -0.00 -1.26 -4.43 117.44 113.37 2kem n TRP 21 Ca 0.03 0.25 0.00 0.00 -0.00 0.00 0.00 57.50 57.78 2kem n TRP 21 Cb 0.50 -2.55 0.00 0.00 -0.00 0.00 0.00 31.31 29.26 2kem n TRP 21 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2kem n VAL 22 N 7.02 -3.05 -0.25 5.87 0.31 -1.26 -3.58 118.33 123.39 2kem n VAL 22 Ca 0.39 1.33 0.32 0.00 -0.01 0.00 0.00 64.34 66.37 2kem n VAL 22 Cb 0.24 -1.94 0.74 0.00 -0.91 0.00 0.00 33.84 31.96 2kem n VAL 22 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 2kem h ARG 23 N 0.69 0.00 -3.09 5.55 -0.00 -2.01 -3.30 114.38 112.23 2kem h ARG 23 Ca 0.00 -0.00 -0.53 0.00 -0.00 0.00 0.00 59.98 59.45 2kem h ARG 23 Cb 0.26 -0.00 -0.40 0.00 -0.00 0.00 0.00 29.97 29.82 2kem h ARG 23 CO 0.00 0.00 -0.77 0.20 -0.00 0.00 0.00 179.97 179.41 2kem s GLY 24 N -3.96 0.61 -0.34 0.08 0.00 -1.26 -5.07 107.32 97.39 2kem s GLY 24 Ca -0.05 -1.02 -0.31 0.00 0.00 0.00 0.00 44.72 43.34 2kem s GLY 24 CO 0.79 1.83 1.12 -0.96 0.00 0.00 0.00 173.10 175.88 2kem n ARG 25 N 5.15 0.00 -3.63 2.90 1.85 -1.23 -4.89 116.66 116.80 2kem n ARG 25 Ca -0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.76 2kem n ARG 25 Cb 0.44 -1.01 -0.03 0.00 -1.05 0.00 0.00 32.46 30.81 2kem n ARG 25 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2kem s HIS 26 N 2.27 -0.08 -1.41 2.89 2.46 -1.26 -4.99 115.29 115.18 2kem s HIS 26 Ca 0.72 0.10 -0.04 0.00 0.47 0.00 0.00 55.06 56.31 2kem s HIS 26 Cb -1.01 0.50 0.00 0.00 -0.13 0.00 0.00 32.58 31.94 2kem s HIS 26 CO 0.54 -0.09 0.49 0.39 -2.47 0.00 0.00 174.74 173.60 2kem n GLU 27 N 0.28 -4.08 -1.22 2.88 1.02 -1.26 -4.91 120.64 113.35 2kem n GLU 27 Ca 0.01 0.82 -0.38 0.00 -0.02 0.00 0.00 57.16 57.59 2kem n GLU 27 Cb 0.58 -5.46 0.01 0.00 -0.02 0.00 0.00 31.44 26.55 2kem n GLU 27 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2kem n THR 28 N -4.35 0.00 -3.72 2.62 -1.04 -1.26 -4.72 114.28 101.81 2kem n THR 28 Ca -0.11 -0.49 -0.13 0.00 -2.04 0.00 0.00 64.05 61.28 2kem n THR 28 Cb 0.61 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.99 2kem n THR 28 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2kem s TYR 29 N -1.97 -0.33 -0.06 -1.42 6.14 -1.26 -2.90 117.35 115.55 2kem s TYR 29 Ca 0.55 0.79 0.04 0.00 0.64 0.00 0.00 57.07 59.09 2kem s TYR 29 Cb -0.48 0.01 0.00 0.00 0.42 0.00 0.00 41.96 41.92 2kem s TYR 29 CO 0.66 -0.25 -0.17 -0.48 0.64 0.00 0.00 175.55 175.95 2kem s LEU 30 N 1.49 1.85 0.05 6.97 0.05 -0.40 -4.44 118.68 124.25 2kem s LEU 30 Ca -0.07 -0.37 -0.23 0.00 0.05 0.00 0.00 54.13 53.51 2kem s LEU 30 Cb -0.11 -1.01 -0.06 0.00 -2.05 0.00 0.00 46.19 42.96 2kem s LEU 30 CO -0.08 0.11 0.68 0.00 -0.55 0.00 0.00 176.35 176.51 2kem s TYR 32 N -0.43 3.40 -0.17 0.00 1.13 -1.12 -0.68 117.35 119.47 2kem s TYR 32 Ca 0.34 0.27 -0.02 0.00 -1.41 0.00 0.00 57.07 56.25 2kem s TYR 32 Cb -0.20 -1.78 0.05 0.00 -1.10 0.00 0.00 41.96 38.94 2kem s TYR 32 CO 0.21 0.59 0.02 -2.00 -2.51 0.00 0.00 175.55 171.86 2kem s GLU 33 N -1.84 0.71 0.09 -3.49 -6.30 -0.58 -2.10 118.70 105.20 2kem s GLU 33 Ca 0.25 -0.34 0.07 0.00 -2.50 0.00 0.00 54.97 52.45 2kem s GLU 33 Cb -0.12 -1.90 -0.03 0.00 0.00 0.00 0.00 34.13 32.07 2kem s GLU 33 CO 0.16 -0.56 -0.17 0.14 0.02 0.00 0.00 175.26 174.85 2kem s VAL 34 N 1.86 1.42 0.48 3.70 -7.23 -1.22 0.12 120.40 119.53 2kem s VAL 34 Ca 0.00 -1.46 0.06 0.00 -1.81 0.00 0.00 61.98 58.77 2kem s VAL 34 Cb -0.16 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.43 2kem s VAL 34 CO -0.07 -0.17 0.34 -1.61 -0.31 0.00 0.00 175.10 173.27 2kem s GLU 35 N -1.92 2.31 -0.26 4.82 2.02 -0.92 -4.27 118.70 120.49 2kem s GLU 35 Ca 0.03 -1.87 -0.04 0.00 0.02 0.00 0.00 54.97 53.11 2kem s GLU 35 Cb -0.09 -2.12 0.01 0.00 0.10 0.00 0.00 34.13 32.02 2kem s GLU 35 CO 0.03 -0.39 -0.01 1.03 0.02 0.00 0.00 175.26 175.94 2kem s ARG 36 N -4.15 3.07 -0.40 1.61 3.00 -0.77 -1.89 118.95 119.42 2kem s ARG 36 Ca 0.38 -0.84 -0.17 0.00 0.00 0.00 0.00 55.73 55.11 2kem s ARG 36 Cb -0.01 -3.12 0.01 0.00 0.00 0.00 0.00 34.95 31.83 2kem s ARG 36 CO 0.23 -0.36 0.42 -1.64 0.00 0.00 0.00 175.30 173.95 2kem s MET 37 N 1.43 3.25 -0.81 3.54 -1.94 0.29 -0.09 119.30 124.97 2kem s MET 37 Ca 0.03 -0.64 0.02 0.00 -1.71 0.00 0.00 55.69 53.39 2kem s MET 37 Cb -0.16 -3.92 0.30 0.00 2.01 0.00 0.00 34.83 33.06 2kem s MET 37 CO -0.02 -0.76 1.18 0.72 -0.01 0.00 0.00 175.02 176.13 2kem n HIS 38 N 5.56 3.22 -3.92 -0.03 8.25 -0.96 -3.56 115.22 123.78 2kem n HIS 38 Ca -0.08 -3.43 -0.27 0.00 -0.26 0.00 0.00 57.72 53.69 2kem n HIS 38 Cb 0.48 -0.84 -0.01 0.00 1.12 0.00 0.00 29.99 30.74 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 0.56 -1.04 0.00 0.41 3.02 -1.26 -3.01 115.26 113.94 2kem n ASN 39 Ca 0.32 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 2kem n ASN 39 Cb 0.36 -3.04 0.00 0.00 -0.61 0.00 0.00 39.78 36.49 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 -2.92 0.00 -4.91 6.41 2.03 -1.26 -5.12 116.55 110.78 2kem n ASP 40 Ca -0.28 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.76 2kem n ASP 40 Cb 0.67 0.00 0.00 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 -0.86 4.74 -0.43 5.18 2.01 -1.17 -5.06 115.64 120.05 2kem s THR 41 Ca 0.00 0.22 0.06 0.00 0.31 0.00 0.00 61.69 62.28 2kem s THR 41 Cb 0.00 -3.81 0.18 0.00 0.01 0.00 0.00 72.50 68.87 2kem s THR 41 CO 0.00 -0.82 0.57 -1.66 -0.69 0.00 0.00 174.62 172.02 2kem s TRP 42 N -2.80 -1.11 -0.90 4.92 1.48 -0.90 -2.26 118.94 117.36 2kem s TRP 42 Ca 0.49 -0.43 -0.24 0.00 -1.06 0.00 0.00 56.10 54.85 2kem s TRP 42 Cb -0.10 0.03 0.02 0.00 -1.16 0.00 0.00 33.47 32.26 2kem s TRP 42 CO 0.45 -1.12 1.54 0.08 -4.06 0.00 0.00 176.95 173.84 2kem s VAL 43 N 1.35 3.74 -0.67 -0.66 1.01 0.87 -4.67 120.40 121.38 2kem s VAL 43 Ca 0.21 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 2kem s VAL 43 Cb -0.05 -4.74 0.06 0.00 0.00 0.00 0.00 36.38 31.65 2kem s VAL 43 CO -0.06 -1.65 2.71 2.29 0.00 0.00 0.00 175.10 178.39 2kem n LYS 44 N 9.01 2.97 -0.07 2.72 2.85 -1.26 -1.85 118.16 132.54 2kem n LYS 44 Ca 0.27 -2.58 -0.13 0.00 -1.05 0.00 0.00 58.31 54.82 2kem n LYS 44 Cb 0.50 -2.27 -0.14 0.00 -0.65 0.00 0.00 35.03 32.47 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 1.19 1.32 -4.65 -5.58 4.77 -1.26 -4.91 117.00 107.88 2kem n LEU 45 Ca 0.52 0.13 -0.45 0.00 -0.03 0.00 0.00 56.01 56.19 2kem n LEU 45 Cb 0.49 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.37 2kem n LEU 45 CO 0.42 0.62 1.60 -3.20 -1.33 0.00 0.00 177.39 175.50 2kem n ASN 46 N -3.07 3.78 -2.75 -1.43 2.85 -1.26 -4.86 115.26 108.52 2kem n ASN 46 Ca -0.31 0.83 -0.30 0.00 -0.11 0.00 0.00 54.58 54.69 2kem n ASN 46 Cb 1.08 -1.47 -0.05 0.00 1.24 0.00 0.00 39.78 40.58 2kem n ASN 46 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kem n GLN 47 N 7.41 3.00 -2.05 1.20 6.02 -1.26 -4.61 117.38 127.09 2kem n GLN 47 Ca 0.23 -2.63 0.00 0.00 -0.01 0.00 0.00 57.00 54.58 2kem n GLN 47 Cb 0.37 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.35 2kem n GLN 47 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2kem n ARG 48 N 1.13 -1.81 0.02 -1.09 0.00 -1.26 -4.92 116.66 108.73 2kem n ARG 48 Ca 0.52 1.30 0.11 0.00 -0.00 0.00 0.00 57.85 59.79 2kem n ARG 48 Cb 0.47 -1.92 -0.07 0.00 -0.00 0.00 0.00 32.46 30.94 2kem n ARG 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2kem n ARG 49 N 1.90 0.39 0.00 2.89 1.74 -0.89 -4.88 116.66 117.82 2kem n ARG 49 Ca 0.00 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 2kem n ARG 49 Cb 0.00 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 2kem n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kem n GLY 50 N 1.34 2.40 0.00 -0.13 0.00 -1.10 -4.78 105.19 102.92 2kem n GLY 50 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.35 0.00 -1.99 1.61 7.35 -0.42 -2.80 117.46 120.86 2kem n PHE 51 Ca 0.00 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.43 2kem n PHE 51 Cb 0.00 0.00 0.18 0.00 0.35 0.00 0.00 39.48 40.01 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 -3.05 -2.13 7.99 -1.19 -4.70 117.00 113.92 2kem n LEU 52 Ca 0.00 -1.47 -0.04 0.00 -0.01 0.00 0.00 56.01 54.50 2kem n LEU 52 Cb 0.00 -0.88 -0.01 0.00 -0.11 0.00 0.00 43.42 42.42 2kem n LEU 52 CO 0.00 -1.30 0.06 0.00 -1.51 0.00 0.00 177.39 174.65 2kem s ALA 53 N -3.82 -1.95 0.08 -1.18 0.00 -1.26 -1.28 121.76 112.36 2kem s ALA 53 Ca 0.68 -0.25 0.09 0.00 0.00 0.00 0.00 51.96 52.48 2kem s ALA 53 Cb -0.02 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.44 2kem s ALA 53 CO 0.47 -2.21 -0.24 1.21 0.00 0.00 0.00 175.76 174.99 2kem s ASN 54 N 1.34 3.40 0.16 0.00 3.84 -1.14 -4.72 114.94 117.82 2kem s ASN 54 Ca 0.23 -0.62 0.10 0.00 0.21 0.00 0.00 52.86 52.78 2kem s ASN 54 Cb -0.03 -0.35 -0.04 0.00 -0.55 0.00 0.00 41.25 40.28 2kem s ASN 54 CO -0.06 0.22 -0.20 -1.58 -2.79 0.00 0.00 177.10 172.69 2kem s GLN 55 N -1.66 1.68 -0.66 0.43 2.00 -1.13 -0.71 119.66 119.60 2kem s GLN 55 Ca 0.14 -1.34 -0.08 0.00 -2.00 0.00 0.00 55.36 52.08 2kem s GLN 55 Cb -0.10 -2.00 0.17 0.00 0.80 0.00 0.00 33.01 31.88 2kem s GLN 55 CO 0.05 0.44 0.53 0.00 -0.50 0.00 0.00 175.29 175.80 2kem s ALA 56 N -1.41 3.71 0.16 1.58 0.00 -1.21 -4.00 121.76 120.59 2kem s ALA 56 Ca 0.19 -3.14 -0.11 0.00 0.00 0.00 0.00 51.96 48.90 2kem s ALA 56 Cb -0.09 -2.97 0.02 0.00 0.00 0.00 0.00 23.12 20.08 2kem s ALA 56 CO 0.10 -2.12 1.58 -1.00 0.00 0.00 0.00 175.76 174.32 2kem h PRO 57 N 7.54 0.95 -4.45 0.00 0.13 -1.90 -3.46 132.00 130.80 2kem h PRO 57 Ca -0.01 -0.35 -0.41 0.00 -0.87 0.00 0.00 66.00 64.36 2kem h PRO 57 Cb 1.00 -0.06 0.05 0.00 0.13 0.00 0.00 31.00 32.12 2kem h PRO 57 CO 0.75 1.02 -0.60 0.72 -0.23 0.00 0.00 178.00 179.65 2kem n HIS 58 N -4.22 -1.93 -2.20 1.56 8.25 -1.26 -4.80 115.22 110.63 2kem n HIS 58 Ca 0.01 0.50 -0.02 0.00 -0.26 0.00 0.00 57.72 57.94 2kem n HIS 58 Cb 0.38 -4.43 0.02 0.00 1.12 0.00 0.00 29.99 27.08 2kem n HIS 58 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2kem n LYS 59 N -3.99 0.39 -3.67 -0.41 2.85 -1.26 -5.09 118.16 106.99 2kem n LYS 59 Ca -0.12 -0.62 -0.08 0.00 -1.05 0.00 0.00 58.31 56.45 2kem n LYS 59 Cb 0.62 0.37 -0.09 0.00 -0.65 0.00 0.00 35.03 35.28 2kem n LYS 59 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2kem s HIS 60 N 0.04 -0.88 0.57 5.58 2.46 -1.26 -5.03 115.29 116.77 2kem s HIS 60 Ca 0.03 1.72 0.26 0.00 0.47 0.00 0.00 55.06 57.54 2kem s HIS 60 Cb 0.13 0.45 1.61 0.00 -0.13 0.00 0.00 32.58 34.65 2kem s HIS 60 CO -0.04 -0.47 2.15 0.78 -2.47 0.00 0.00 174.74 174.69 2kem h GLY 61 N 7.44 0.00 1.90 1.59 0.00 -2.01 -0.68 103.07 111.31 2kem h GLY 61 Ca -0.28 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 2kem h GLY 61 CO 0.19 0.00 -0.35 0.74 0.00 0.00 0.00 176.54 177.12 2kem h PHE 62 N 0.00 0.13 -1.75 5.60 -1.00 -2.06 -3.44 116.94 114.41 2kem h PHE 62 Ca 0.06 -0.03 -0.59 0.00 2.81 0.00 0.00 57.97 60.22 2kem h PHE 62 Cb 0.28 -0.03 -0.11 0.00 3.61 0.00 0.00 35.95 39.71 2kem h PHE 62 CO 0.00 0.46 -0.58 -0.51 -1.61 0.00 0.00 178.31 176.07 2kem s LEU 63 N -8.28 2.98 -0.05 1.54 1.02 -0.26 -5.06 118.68 110.56 2kem s LEU 63 Ca -0.04 -1.13 0.01 0.00 0.02 0.00 0.00 54.13 53.00 2kem s LEU 63 Cb 0.14 -1.24 -0.04 0.00 0.02 0.00 0.00 46.19 45.07 2kem s LEU 63 CO 0.74 -0.39 -0.03 -0.62 0.02 0.00 0.00 176.35 176.07 2kem n GLU 64 N -1.04 0.93 0.00 1.70 1.02 -1.26 -4.57 120.64 117.42 2kem n GLU 64 Ca -0.03 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2kem n GLU 64 Cb 0.64 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 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 0.31 3.07 0.62 0.00 -1.26 -4.50 105.19 106.52 2kem n GLY 65 Ca -0.10 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 0.82 0.42 1.61 1.70 -1.26 -4.76 118.95 117.48 2kem s ARG 66 Ca 0.00 -0.51 0.08 0.00 -0.47 0.00 0.00 55.73 54.83 2kem s ARG 66 Cb 0.00 -0.79 -0.02 0.00 -0.57 0.00 0.00 34.95 33.58 2kem s ARG 66 CO 0.00 0.21 0.41 -1.01 -1.08 0.00 0.00 175.30 173.82 2kem s HIS 67 N -0.52 2.73 0.47 5.89 3.76 -1.25 -2.85 115.29 123.52 2kem s HIS 67 Ca 0.02 -0.48 0.35 0.00 -0.15 0.00 0.00 55.06 54.80 2kem s HIS 67 Cb -0.06 -2.20 1.50 0.00 1.11 0.00 0.00 32.58 32.94 2kem s HIS 67 CO 0.00 -0.16 1.62 0.00 -0.85 0.00 0.00 174.74 175.36 2kem h ALA 68 N 0.97 3.01 0.40 -1.40 0.00 -1.19 0.96 119.26 122.02 2kem h ALA 68 Ca -0.41 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2kem h ALA 68 Cb 1.27 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2kem h ALA 68 CO 0.56 -1.60 -0.26 0.93 0.00 0.00 0.00 179.25 178.87 2kem h GLU 69 N 0.06 -0.62 0.00 0.00 5.08 -1.91 0.41 114.58 117.60 2kem h GLU 69 Ca 0.83 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 59.23 2kem h GLU 69 Cb 2.81 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 32.20 2kem h GLU 69 CO -0.31 -0.41 -0.01 1.25 -1.00 0.00 0.00 179.01 178.53 2kem h LEU 70 N -0.64 0.00 -1.25 1.33 5.85 0.46 0.58 115.31 121.65 2kem h LEU 70 Ca -0.04 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 2kem h LEU 70 Cb 0.53 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2kem h LEU 70 CO 0.03 0.01 -0.04 0.00 -0.34 0.00 0.00 178.44 178.11 2kem h PHE 72 N 0.44 0.64 0.00 0.00 3.57 0.44 -0.24 116.94 121.79 2kem h PHE 72 Ca 0.09 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2kem h PHE 72 Cb 0.36 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 2kem h PHE 72 CO 0.01 0.65 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.55 2kem h LEU 73 N 0.56 0.00 0.02 0.59 4.07 -0.12 -1.45 115.31 118.98 2kem h LEU 73 Ca 0.11 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.82 2kem h LEU 73 Cb 0.44 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.18 2kem h LEU 73 CO 0.02 0.11 -1.13 -0.78 -1.08 0.00 0.00 178.44 175.59 2kem h ASP 74 N 0.00 0.35 -0.73 -0.43 1.82 -0.46 -3.26 116.42 113.70 2kem h ASP 74 Ca -0.00 -0.35 -0.00 0.00 -0.39 0.00 0.00 57.03 56.29 2kem h ASP 74 Cb 0.23 -0.11 -0.04 0.00 0.68 0.00 0.00 39.33 40.09 2kem h ASP 74 CO 0.01 1.24 0.45 -0.37 -1.61 0.00 0.00 179.24 178.97 2kem h VAL 75 N 0.08 1.20 0.23 2.25 -1.51 -0.18 -2.91 116.25 115.41 2kem h VAL 75 Ca -0.10 -0.43 -0.00 0.00 -1.23 0.00 0.00 66.70 64.94 2kem h VAL 75 Cb 1.84 0.15 -0.02 0.00 -2.13 0.00 0.00 31.29 31.13 2kem h VAL 75 CO 0.18 0.21 -0.36 0.40 -1.23 0.00 0.00 177.57 176.77 2kem h ILE 76 N 1.01 0.00 -0.57 7.19 1.08 -1.52 2.31 117.51 127.01 2kem h ILE 76 Ca 0.27 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.85 2kem h ILE 76 Cb -0.06 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.66 2kem h ILE 76 CO -0.05 0.00 0.39 -0.65 -0.69 0.00 0.00 178.15 177.15 2kem h PRO 77 N -0.62 0.30 0.19 2.37 0.11 -1.67 -1.27 132.00 131.41 2kem h PRO 77 Ca -0.03 -0.02 -0.33 0.00 0.11 0.00 0.00 66.00 65.73 2kem h PRO 77 Cb 0.57 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.63 2kem h PRO 77 CO -0.12 0.20 -1.59 0.35 -0.21 0.00 0.00 178.00 176.63 2kem h PHE 78 N 0.31 0.71 -0.36 0.65 3.04 -1.29 -3.27 116.94 116.75 2kem h PHE 78 Ca 0.27 -0.52 0.10 0.00 3.98 0.00 0.00 57.97 61.80 2kem h PHE 78 Cb 0.64 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.10 2kem h PHE 78 CO -0.00 1.55 0.32 -1.49 -2.02 0.00 0.00 178.31 176.67 2kem h TRP 79 N 0.11 0.00 -0.33 0.41 4.06 0.49 -3.44 115.95 117.25 2kem h TRP 79 Ca -0.28 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.53 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 0.10 0.00 -0.13 1.63 -3.56 0.00 0.00 178.44 176.48 2kem n LYS 80 N -4.00 -0.47 -1.69 0.49 4.76 -0.58 -4.81 118.16 111.86 2kem n LYS 80 Ca 0.06 0.73 -0.58 0.00 -2.87 0.00 0.00 58.31 55.65 2kem n LYS 80 Cb 0.49 -4.52 -0.07 0.00 -1.84 0.00 0.00 35.03 29.09 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 -0.77 2.28 0.00 -0.35 -0.00 -0.84 0.18 117.00 117.51 2kem n LEU 81 Ca -0.07 1.04 0.00 0.00 -0.00 0.00 0.00 56.01 56.99 2kem n LEU 81 Cb 0.22 -1.12 0.00 0.00 -0.00 0.00 0.00 43.42 42.52 2kem n LEU 81 CO 0.10 -0.47 0.00 -0.67 -0.00 0.00 0.00 177.39 176.36 2kem n ASP 82 N 5.57 0.00 -0.18 1.96 2.03 0.13 -4.53 116.55 121.53 2kem n ASP 82 Ca 0.28 0.00 0.29 0.00 0.52 0.00 0.00 54.79 55.88 2kem n ASP 82 Cb 0.12 0.00 0.73 0.00 -0.72 0.00 0.00 41.12 41.24 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 0.00 0.00 -2.67 -0.00 -1.91 -3.06 115.31 107.67 2kem h LEU 83 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 2kem h LEU 83 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 2kem h LEU 83 CO 0.00 0.00 -1.14 0.47 -0.00 0.00 0.00 178.44 177.77 2kem n ASP 84 N -4.22 3.58 -3.64 0.17 9.92 0.13 -5.08 116.55 117.40 2kem n ASP 84 Ca 0.19 -0.01 -0.05 0.00 -0.53 0.00 0.00 54.79 54.39 2kem n ASP 84 Cb 0.97 -0.04 -0.07 0.00 -0.64 0.00 0.00 41.12 41.34 2kem n ASP 84 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kem s GLN 85 N -2.05 0.45 -0.15 -1.24 -2.07 -1.10 -5.04 119.66 108.46 2kem s GLN 85 Ca -0.03 0.70 -0.21 0.00 -1.82 0.00 0.00 55.36 53.99 2kem s GLN 85 Cb 0.01 0.13 -0.03 0.00 -1.09 0.00 0.00 33.01 32.03 2kem s GLN 85 CO 0.06 -0.08 0.62 0.34 -1.32 0.00 0.00 175.29 174.91 2kem s ASP 86 N 1.06 6.76 0.11 12.60 2.15 -1.23 0.17 116.67 138.28 2kem s ASP 86 Ca -0.06 0.92 0.07 0.00 0.43 0.00 0.00 52.55 53.91 2kem s ASP 86 Cb -0.04 -2.35 -0.04 0.00 -0.30 0.00 0.00 42.92 40.18 2kem s ASP 86 CO -0.13 -0.19 -0.10 -0.31 -0.17 0.00 0.00 175.17 174.27 2kem s TYR 87 N 1.43 2.73 -0.80 -5.34 1.51 -1.26 0.11 117.35 115.72 2kem s TYR 87 Ca 0.30 -0.16 -0.15 0.00 -1.01 0.00 0.00 57.07 56.05 2kem s TYR 87 Cb -0.16 -1.42 0.19 0.00 -0.11 0.00 0.00 41.96 40.46 2kem s TYR 87 CO 0.12 0.43 0.80 0.50 -1.11 0.00 0.00 175.55 176.29 2kem s ARG 88 N -2.27 3.51 0.03 -0.62 3.00 -0.79 -2.55 118.95 119.25 2kem s ARG 88 Ca 0.22 -2.22 -0.27 0.00 -1.00 0.00 0.00 55.73 52.46 2kem s ARG 88 Cb -0.11 -4.48 -0.05 0.00 0.00 0.00 0.00 34.95 30.31 2kem s ARG 88 CO 0.14 -1.38 0.85 0.08 0.00 0.00 0.00 175.30 174.99 2kem s VAL 89 N 0.83 4.78 -0.33 7.11 1.01 0.18 -2.17 120.40 131.81 2kem s VAL 89 Ca 0.18 1.80 -0.01 0.00 0.00 0.00 0.00 61.98 63.95 2kem s VAL 89 Cb -0.12 -4.20 0.12 0.00 0.00 0.00 0.00 36.38 32.18 2kem s VAL 89 CO -0.07 0.28 0.18 0.42 0.00 0.00 0.00 175.10 175.91 2kem s THR 90 N 0.40 0.18 0.32 3.92 -4.23 0.12 -0.83 115.64 115.52 2kem s THR 90 Ca 0.44 -1.41 -0.07 0.00 -1.18 0.00 0.00 61.69 59.46 2kem s THR 90 Cb -0.21 -1.15 -0.06 0.00 1.34 0.00 0.00 72.50 72.43 2kem s THR 90 CO 0.25 -0.88 0.62 0.00 -0.54 0.00 0.00 174.62 174.07 2kem s PHE 92 N -2.16 2.42 0.17 0.00 0.40 0.14 -1.46 117.98 117.49 2kem s PHE 92 Ca 0.47 -1.76 0.00 0.00 -0.60 0.00 0.00 56.93 55.04 2kem s PHE 92 Cb -0.11 -1.59 -0.00 0.00 0.51 0.00 0.00 43.02 41.83 2kem s PHE 92 CO 0.30 -0.77 0.02 2.41 0.70 0.00 0.00 175.22 177.87 2kem n THR 93 N 4.67 0.00 0.09 0.64 -1.04 -0.63 -2.41 114.28 115.60 2kem n THR 93 Ca -0.12 -0.87 0.01 0.00 -2.04 0.00 0.00 64.05 61.03 2kem n THR 93 Cb 0.44 0.22 0.01 0.00 -1.82 0.00 0.00 70.33 69.18 2kem n THR 93 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2kem n SER 94 N -1.34 1.28 -3.73 8.00 3.41 -1.26 -3.60 113.62 116.38 2kem n SER 94 Ca -0.06 -1.17 -0.12 0.00 -0.26 0.00 0.00 58.87 57.26 2kem n SER 94 Cb 0.23 -0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.07 2kem n SER 94 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2kem s TRP 95 N -0.26 -0.44 1.22 7.33 0.52 -1.25 -3.17 118.94 122.88 2kem s TRP 95 Ca 0.03 1.03 -0.18 0.00 0.02 0.00 0.00 56.10 57.00 2kem s TRP 95 Cb 0.02 0.16 0.28 0.00 -1.15 0.00 0.00 33.47 32.78 2kem s TRP 95 CO 0.03 -0.23 0.64 -1.13 0.02 0.00 0.00 176.95 176.27 2kem n SER 96 N 3.35 -3.62 0.00 2.95 3.41 -1.18 -4.82 113.62 113.72 2kem n SER 96 Ca -0.17 -0.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 2kem n SER 96 Cb 0.56 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 2kem n SER 96 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2kem n PRO 97 N -3.49 0.00 0.00 4.33 -0.04 -1.26 -4.59 135.00 129.95 2kem n PRO 97 Ca 0.10 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 2kem n PRO 97 Cb 0.44 -0.76 0.00 0.00 -0.04 0.00 0.00 33.50 33.14 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 0.79 -0.41 0.00 -5.15 -1.87 0.46 116.94 110.75 2kem h PHE 99 Ca 0.00 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 2kem h PHE 99 Cb 0.00 -0.26 -0.02 0.00 0.22 0.00 0.00 35.95 35.89 2kem h PHE 99 CO 0.00 0.46 0.26 0.77 -2.00 0.00 0.00 178.31 177.80 2kem h SER 100 N 0.83 0.49 0.47 -0.68 0.02 -1.97 -1.27 113.55 111.44 2kem h SER 100 Ca 0.26 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 61.08 2kem h SER 100 Cb -0.01 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2kem h SER 100 CO -0.09 0.38 -0.46 0.00 -1.14 0.00 0.00 176.83 175.52 2kem h ALA 102 N 1.54 1.04 -0.27 0.00 0.00 0.11 0.26 119.26 121.94 2kem h ALA 102 Ca -0.00 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2kem h ALA 102 Cb 0.82 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2kem h ALA 102 CO 0.06 -0.08 -0.02 1.96 0.00 0.00 0.00 179.25 181.17 2kem h GLN 103 N 0.58 0.50 0.75 0.00 4.20 -1.03 -0.38 115.11 119.73 2kem h GLN 103 Ca 0.38 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 2kem h GLN 103 Cb 0.46 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 2kem h GLN 103 CO -0.31 0.68 -0.48 0.93 -0.67 0.00 0.00 178.83 178.98 2kem h GLU 104 N 0.27 -1.11 0.00 1.46 4.39 -0.95 0.10 114.58 118.74 2kem h GLU 104 Ca 0.08 0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2kem h GLU 104 Cb 0.46 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2kem h GLU 104 CO 0.02 -0.74 0.00 -1.33 -1.16 0.00 0.00 179.01 175.80 2kem n MET 105 N -5.47 0.07 -0.02 2.33 0.00 0.79 -2.51 117.12 112.31 2kem n MET 105 Ca -0.14 0.39 -0.00 0.00 0.00 0.00 0.00 57.70 57.94 2kem n MET 105 Cb 0.48 -1.66 -0.00 0.00 0.00 0.00 0.00 33.22 32.05 2kem n MET 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kem h ALA 106 N 2.29 0.00 -1.39 3.04 0.00 -0.38 0.85 119.26 123.68 2kem h ALA 106 Ca 0.00 -0.11 0.40 0.00 0.00 0.00 0.00 54.91 55.20 2kem h ALA 106 Cb 0.21 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 2kem h ALA 106 CO 0.00 0.05 1.04 1.57 0.00 0.00 0.00 179.25 181.91 2kem h LYS 107 N -0.30 0.00 0.00 0.00 2.10 -1.00 2.67 116.57 120.03 2kem h LYS 107 Ca 0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 2kem h LYS 107 Cb 0.05 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.36 2kem h LYS 107 CO 0.00 0.00 -1.11 0.34 -2.00 0.00 0.00 179.45 176.68 2kem n PHE 108 N -4.01 0.70 -0.05 0.07 7.35 -1.04 -3.23 117.46 117.24 2kem n PHE 108 Ca 0.30 0.30 -0.10 0.00 -0.76 0.00 0.00 57.45 57.20 2kem n PHE 108 Cb 1.48 -0.88 -0.15 0.00 0.35 0.00 0.00 39.48 40.29 2kem n PHE 108 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2kem n ILE 109 N -4.48 1.54 -0.07 -2.13 5.41 0.25 -1.74 119.36 118.14 2kem n ILE 109 Ca -0.23 -0.80 -0.09 0.00 1.00 0.00 0.00 62.75 62.63 2kem n ILE 109 Cb 0.53 -0.90 -0.06 0.00 -0.71 0.00 0.00 39.64 38.49 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 0.00 0.00 1.06 4.38 0.87 0.43 -0.25 113.55 120.04 2kem h SER 110 Ca -0.40 -0.35 -0.09 0.00 -1.23 0.00 0.00 61.79 59.72 2kem h SER 110 Cb 2.09 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.04 2kem h SER 110 CO 0.06 0.88 -0.43 0.50 -0.53 0.00 0.00 176.83 177.30 2kem h LYS 111 N -1.00 0.00 0.00 2.24 3.64 0.24 -3.38 116.57 118.31 2kem h LYS 111 Ca -0.07 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 2kem h LYS 111 Cb 0.63 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2kem h LYS 111 CO -0.04 0.43 -0.87 -1.71 -2.27 0.00 0.00 179.45 174.99 2kem n ASN 112 N -3.42 1.66 -2.31 4.20 5.15 -1.20 -4.97 115.26 114.37 2kem n ASN 112 Ca 0.00 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 2kem n ASN 112 Cb 0.59 -0.62 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 2kem n ASN 112 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2kem n LYS 113 N -4.14 -5.25 -0.59 1.20 4.01 -0.10 -4.95 118.16 108.33 2kem n LYS 113 Ca -0.13 3.78 -0.02 0.00 -0.51 0.00 0.00 58.31 61.42 2kem n LYS 113 Cb 0.42 -4.61 -0.02 0.00 -0.51 0.00 0.00 35.03 30.30 2kem n LYS 113 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 2kem n HIS 114 N 1.89 0.00 -3.47 2.13 1.44 -1.26 -5.03 115.22 110.92 2kem n HIS 114 Ca 0.00 -0.17 -0.10 0.00 -2.01 0.00 0.00 57.72 55.43 2kem n HIS 114 Cb 0.00 0.32 -0.02 0.00 0.12 0.00 0.00 29.99 30.41 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 -0.20 0.61 0.11 -1.26 -4.50 120.40 115.16 2kem s VAL 115 Ca 0.00 -0.02 -0.08 0.00 -2.93 0.00 0.00 61.98 58.94 2kem s VAL 115 Cb 0.00 -1.03 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 2kem s VAL 115 CO 0.00 0.00 0.09 -0.55 -3.33 0.00 0.00 175.10 171.31 2kem s SER 116 N -2.64 5.79 -0.22 3.54 0.15 -1.06 -4.95 113.70 114.30 2kem s SER 116 Ca 0.03 0.10 -0.02 0.00 0.70 0.00 0.00 55.95 56.76 2kem s SER 116 Cb -0.01 -2.01 0.07 0.00 -1.71 0.00 0.00 66.02 62.36 2kem s SER 116 CO -0.11 0.15 0.04 -1.48 1.20 0.00 0.00 173.24 173.04 2kem s LEU 117 N 0.54 1.55 -0.49 3.45 -0.00 -1.06 0.51 118.68 123.18 2kem s LEU 117 Ca 0.05 -1.03 0.04 0.00 -0.00 0.00 0.00 54.13 53.18 2kem s LEU 117 Cb -0.12 -0.72 0.13 0.00 -0.00 0.00 0.00 46.19 45.48 2kem s LEU 117 CO 0.01 -0.32 0.24 0.00 -0.00 0.00 0.00 176.35 176.27 2kem s ILE 119 N -0.06 5.16 -0.36 0.00 1.09 -0.46 0.37 121.20 126.94 2kem s ILE 119 Ca 0.17 -1.58 -0.27 0.00 -1.10 0.00 0.00 60.65 57.87 2kem s ILE 119 Cb -0.25 -4.44 0.02 0.00 -1.06 0.00 0.00 42.46 36.72 2kem s ILE 119 CO -0.01 -1.02 0.98 -1.59 -0.10 0.00 0.00 174.94 173.20 2kem s LYS 120 N 1.66 3.90 -0.09 2.79 0.00 -0.53 -1.73 119.74 125.73 2kem s LYS 120 Ca 0.11 0.72 0.00 0.00 0.00 0.00 0.00 55.97 56.80 2kem s LYS 120 Cb -0.22 -3.79 -0.03 0.00 0.00 0.00 0.00 37.83 33.79 2kem s LYS 120 CO 0.00 -0.96 -0.09 -0.08 0.00 0.00 0.00 175.35 174.23 2kem s THR 121 N 3.58 3.48 0.25 3.79 -1.32 0.34 -1.60 115.64 124.15 2kem s THR 121 Ca 0.41 -0.54 0.19 0.00 -1.21 0.00 0.00 61.69 60.53 2kem s THR 121 Cb -0.12 -2.44 0.15 0.00 -1.51 0.00 0.00 72.50 68.58 2kem s THR 121 CO 0.18 0.56 1.80 0.00 -2.21 0.00 0.00 174.62 174.96 2kem h ALA 122 N 5.81 1.11 -2.87 11.08 0.00 -1.69 0.22 119.26 132.91 2kem h ALA 122 Ca -0.41 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.02 2kem h ALA 122 Cb 1.18 -0.05 -0.29 0.00 0.00 0.00 0.00 17.79 18.62 2kem h ALA 122 CO 0.54 0.43 -0.43 0.50 0.00 0.00 0.00 179.25 180.29 2kem s ARG 123 N -3.80 0.26 0.01 0.00 3.52 -1.19 -4.57 118.95 113.17 2kem s ARG 123 Ca -0.01 0.65 -0.30 0.00 -0.13 0.00 0.00 55.73 55.94 2kem s ARG 123 Cb 0.12 -0.06 -0.06 0.00 -1.56 0.00 0.00 34.95 33.38 2kem s ARG 123 CO 0.68 -0.18 1.54 0.42 -0.81 0.00 0.00 175.30 176.95 2kem s ILE 124 N 1.50 3.48 0.12 4.11 1.01 -1.26 -3.13 121.20 127.02 2kem s ILE 124 Ca -0.08 0.82 -0.35 0.00 0.00 0.00 0.00 60.65 61.04 2kem s ILE 124 Cb -0.10 -3.53 -0.16 0.00 0.01 0.00 0.00 42.46 38.68 2kem s ILE 124 CO -0.10 -0.02 1.35 0.00 0.00 0.00 0.00 174.94 176.17 2kem n TYR 125 N 5.89 1.62 -4.48 3.97 9.36 -1.26 -4.73 117.16 127.52 2kem n TYR 125 Ca 0.15 0.58 -0.24 0.00 3.32 0.00 0.00 57.90 61.70 2kem n TYR 125 Cb 0.42 -2.36 -0.10 0.00 -0.63 0.00 0.00 39.34 36.67 2kem n TYR 125 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2kem s ASP 126 N 0.44 3.59 0.00 2.98 -1.08 -1.26 -0.61 116.67 120.73 2kem s ASP 126 Ca 0.80 -1.07 0.00 0.00 -0.52 0.00 0.00 52.55 51.76 2kem s ASP 126 Cb -0.87 -0.31 0.00 0.00 -1.46 0.00 0.00 42.92 40.28 2kem s ASP 126 CO 0.47 -0.03 0.00 -0.67 0.52 0.00 0.00 175.17 175.46 2kem n ASP 127 N -0.65 0.00 0.00 -0.34 -0.08 -1.26 -4.92 116.55 109.30 2kem n ASP 127 Ca -0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 2kem n ASP 127 Cb 0.61 0.29 0.00 0.00 2.34 0.00 0.00 41.12 44.36 2kem n ASP 127 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2kem n GLN 128 N -1.98 0.00 -1.18 -0.67 7.27 -1.26 -4.86 117.38 114.70 2kem n GLN 128 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.11 2kem n GLN 128 Cb 0.00 -0.83 0.04 0.00 2.41 0.00 0.00 30.24 31.86 2kem n GLN 128 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kem n GLY 129 N 3.26 1.50 1.23 1.69 0.00 -1.26 -5.13 105.19 106.48 2kem n GLY 129 Ca 0.00 -0.76 0.15 0.00 0.00 0.00 0.00 46.02 45.41 2kem n GLY 129 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kem n ARG 130 N 0.17 -2.83 -0.57 1.61 3.00 -1.26 -4.48 116.66 112.29 2kem n ARG 130 Ca 0.07 2.29 0.05 0.00 -0.00 0.00 0.00 57.85 60.26 2kem n ARG 130 Cb 1.00 -3.32 0.27 0.00 0.00 0.00 0.00 32.46 30.41 2kem n ARG 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kem n ALA 131 N -3.87 3.34 -0.37 5.13 0.00 0.22 -4.50 120.51 120.45 2kem n ALA 131 Ca -0.07 -1.25 0.29 0.00 0.00 0.00 0.00 53.44 52.41 2kem n ALA 131 Cb 0.59 -1.07 0.55 0.00 0.00 0.00 0.00 19.45 19.51 2kem n ALA 131 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2kem h GLN 132 N 2.70 0.24 0.01 0.00 3.07 -1.83 0.80 115.11 120.09 2kem h GLN 132 Ca 0.00 -0.01 -0.21 0.00 0.09 0.00 0.00 58.65 58.51 2kem h GLN 132 Cb 1.42 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.92 2kem h GLN 132 CO 0.30 0.16 -0.92 1.05 0.09 0.00 0.00 178.83 179.51 2kem h GLU 133 N 0.25 0.31 -0.05 0.06 9.09 -1.89 -1.93 114.58 120.40 2kem h GLU 133 Ca 0.73 -0.34 0.03 0.00 0.05 0.00 0.00 59.36 59.83 2kem h GLU 133 Cb 1.98 0.10 -0.03 0.00 -1.65 0.00 0.00 28.75 29.15 2kem h GLU 133 CO -0.46 1.04 -0.10 0.78 0.05 0.00 0.00 179.01 180.32 2kem h GLY 134 N 1.53 -0.07 2.00 1.06 0.00 0.42 -2.19 103.07 105.82 2kem h GLY 134 Ca -0.06 0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 2kem h GLY 134 CO 0.15 -0.11 -0.41 1.41 0.00 0.00 0.00 176.54 177.58 2kem h LEU 135 N -0.15 0.00 0.08 3.11 4.07 -1.53 -2.77 115.31 118.12 2kem h LEU 135 Ca 0.06 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.02 2kem h LEU 135 Cb 0.23 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.94 2kem h LEU 135 CO -0.14 0.41 -0.30 0.08 -1.08 0.00 0.00 178.44 177.41 2kem h ARG 136 N 0.00 -0.42 -0.04 1.13 0.11 -0.72 1.72 114.38 116.17 2kem h ARG 136 Ca -0.00 0.03 -0.14 0.00 0.10 0.00 0.00 59.98 59.97 2kem h ARG 136 Cb 1.17 0.10 -0.01 0.00 1.11 0.00 0.00 29.97 32.33 2kem h ARG 136 CO 0.05 -0.28 -0.61 1.15 0.10 0.00 0.00 179.97 180.38 2kem h THR 137 N -0.43 1.41 0.06 0.08 2.02 -1.59 -2.15 112.91 112.30 2kem h THR 137 Ca -0.01 -2.04 -0.00 0.00 0.77 0.00 0.00 66.41 65.13 2kem h THR 137 Cb 0.43 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 2kem h THR 137 CO -0.15 0.59 -0.03 -0.07 0.37 0.00 0.00 175.52 176.23 2kem h LEU 138 N 0.09 -0.06 -1.75 2.58 -0.00 -1.17 -1.52 115.31 113.48 2kem h LEU 138 Ca -0.01 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 57.98 2kem h LEU 138 Cb 1.10 0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.76 2kem h LEU 138 CO 0.09 -0.02 0.56 0.00 -0.00 0.00 0.00 178.44 179.06 2kem h ALA 139 N -1.91 2.04 -0.03 1.53 0.00 1.29 1.12 119.26 123.30 2kem h ALA 139 Ca -0.01 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 2kem h ALA 139 Cb 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kem h ALA 139 CO 0.01 -0.75 -0.77 0.93 0.00 0.00 0.00 179.25 178.68 2kem h GLU 140 N 0.00 0.24 0.00 0.00 4.39 -1.31 -3.40 114.58 114.49 2kem h GLU 140 Ca 0.18 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2kem h GLU 140 Cb 1.29 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 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 -2.47 0.00 0.18 3.43 0.00 0.32 -4.98 120.51 116.99 2kem n ALA 141 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.48 2kem n ALA 141 Cb 0.73 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.28 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 0.45 -2.97 103.07 100.55 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 -2.17 0.00 -1.89 3.60 0.00 0.26 -4.52 120.51 115.81 2kem n ALA 143 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 2kem n ALA 143 Cb 0.64 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 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 2.35 -0.13 0.00 2.20 0.30 0.17 119.74 124.64 2kem s LYS 144 Ca 0.00 0.46 -0.28 0.00 -0.36 0.00 0.00 55.97 55.79 2kem s LYS 144 Cb 0.00 -4.69 -0.01 0.00 -1.51 0.00 0.00 37.83 31.62 2kem s LYS 144 CO 0.00 -3.29 0.93 0.42 -0.36 0.00 0.00 175.35 173.06 2kem s ILE 145 N 10.81 4.83 0.27 5.43 -1.09 -1.26 -1.35 121.20 138.83 2kem s ILE 145 Ca 0.77 1.87 0.10 0.00 -2.23 0.00 0.00 60.65 61.17 2kem s ILE 145 Cb -0.12 -4.24 -0.04 0.00 -1.58 0.00 0.00 42.46 36.48 2kem s ILE 145 CO 0.13 0.02 -0.05 -0.44 -1.23 0.00 0.00 174.94 173.37 2kem s SER 146 N 1.10 4.32 -0.22 3.58 0.01 -0.71 -4.84 113.70 116.94 2kem s SER 146 Ca 0.44 -0.73 -0.22 0.00 1.31 0.00 0.00 55.95 56.75 2kem s SER 146 Cb -0.18 -0.72 -0.02 0.00 0.21 0.00 0.00 66.02 65.32 2kem s SER 146 CO 0.16 0.01 0.69 -0.63 0.41 0.00 0.00 173.24 173.88 2kem s ILE 147 N -2.35 4.96 -1.31 1.44 1.09 -1.26 0.12 121.20 123.90 2kem s ILE 147 Ca 0.31 1.28 -0.14 0.00 -1.10 0.00 0.00 60.65 61.00 2kem s ILE 147 Cb -0.06 -3.99 0.11 0.00 -1.06 0.00 0.00 42.46 37.46 2kem s ILE 147 CO 0.19 0.04 1.79 0.80 -0.10 0.00 0.00 174.94 177.66 2kem n MET 148 N 5.47 3.26 -1.39 2.79 1.56 0.76 -4.65 117.12 124.91 2kem n MET 148 Ca 0.01 -3.34 -0.04 0.00 -0.27 0.00 0.00 57.70 54.06 2kem n MET 148 Cb 0.49 -3.21 0.02 0.00 2.15 0.00 0.00 33.22 32.67 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 4.98 0.00 -0.30 1.12 -2.24 -1.26 -4.32 114.28 112.26 2kem n THR 149 Ca 0.44 -0.40 0.16 0.00 -2.27 0.00 0.00 64.05 61.98 2kem n THR 149 Cb 0.42 -0.92 0.31 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 -1.30 0.65 0.09 4.78 0.18 -1.26 0.32 117.16 120.62 2kem n TYR 150 Ca 0.03 1.06 -0.12 0.00 1.88 0.00 0.00 57.90 60.76 2kem n TYR 150 Cb 0.13 -1.22 -0.08 0.00 -0.38 0.00 0.00 39.34 37.79 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 -0.23 0.51 9.48 0.02 -1.94 -2.54 113.55 118.86 2kem h SER 151 Ca 0.58 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2kem h SER 151 Cb 1.27 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2kem h SER 151 CO -0.80 0.25 0.00 -0.08 -1.14 0.00 0.00 176.83 175.06 2kem h GLU 152 N -0.79 0.00 0.52 3.45 4.57 -1.15 -2.89 114.58 118.29 2kem h GLU 152 Ca -0.03 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2kem h GLU 152 Cb 0.51 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2kem h GLU 152 CO 0.05 0.00 -0.25 0.35 -1.18 0.00 0.00 179.01 177.98 2kem h PHE 153 N 0.00 -0.64 -1.00 0.92 3.57 0.53 0.49 116.94 120.81 2kem h PHE 153 Ca 0.00 -0.02 0.21 0.00 3.53 0.00 0.00 57.97 61.70 2kem h PHE 153 Cb 0.26 0.21 -0.11 0.00 2.79 0.00 0.00 35.95 39.10 2kem h PHE 153 CO 0.00 -0.40 0.61 1.57 -2.23 0.00 0.00 178.31 177.86 2kem h LYS 154 N -1.14 0.67 -0.69 1.11 2.10 -1.28 1.30 116.57 118.63 2kem h LYS 154 Ca -0.07 -0.04 -0.07 0.00 -2.00 0.00 0.00 60.65 58.46 2kem h LYS 154 Cb 0.53 -0.15 -0.03 0.00 -0.90 0.00 0.00 32.23 31.68 2kem h LYS 154 CO 0.12 0.44 0.14 0.45 -2.00 0.00 0.00 179.45 178.60 2kem h HIS 155 N 0.69 1.19 -0.47 0.07 3.86 -1.44 -2.62 115.15 116.41 2kem h HIS 155 Ca 0.60 -0.15 -0.06 0.00 -1.16 0.00 0.00 60.37 59.60 2kem h HIS 155 Cb 1.03 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 29.16 2kem h HIS 155 CO -0.00 0.98 0.07 0.00 0.86 0.00 0.00 177.93 179.83 2kem n TRP 157 N -4.43 0.00 0.64 0.00 -0.00 0.34 -0.41 117.44 113.57 2kem n TRP 157 Ca 0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.58 2kem n TRP 157 Cb 0.26 -0.50 0.36 0.00 -0.00 0.00 0.00 31.31 31.43 2kem n TRP 157 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 2kem n ASP 158 N -2.73 0.00 -0.18 5.87 2.03 -1.09 0.13 116.55 120.58 2kem n ASP 158 Ca 0.00 0.27 -0.09 0.00 0.52 0.00 0.00 54.79 55.49 2kem n ASP 158 Cb 0.00 -0.39 0.01 0.00 -0.72 0.00 0.00 41.12 40.02 2kem n ASP 158 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kem h THR 159 N 0.00 1.23 0.00 5.18 1.03 0.11 -3.39 112.91 117.06 2kem h THR 159 Ca 0.00 -0.77 0.00 0.00 -0.01 0.00 0.00 66.41 65.63 2kem h THR 159 Cb 0.20 0.77 0.00 0.00 -1.07 0.00 0.00 68.15 68.06 2kem h THR 159 CO 0.00 0.28 -0.85 0.33 -0.01 0.00 0.00 175.52 175.28 2kem n PHE 160 N -4.49 0.00 -3.11 0.00 -0.00 -0.99 -4.87 117.46 104.00 2kem n PHE 160 Ca 0.02 0.00 -0.44 0.00 -0.00 0.00 0.00 57.45 57.02 2kem n PHE 160 Cb 0.19 0.01 -0.05 0.00 -0.00 0.00 0.00 39.48 39.63 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 -1.86 4.81 0.28 -2.13 0.11 0.34 -3.17 120.40 118.78 2kem s VAL 161 Ca 0.00 -0.76 0.02 0.00 -2.93 0.00 0.00 61.98 58.31 2kem s VAL 161 Cb 0.00 -4.43 0.29 0.00 -1.53 0.00 0.00 36.38 30.71 2kem s VAL 161 CO 0.00 -1.03 1.67 0.44 -3.33 0.00 0.00 175.10 172.85 2kem h ASP 162 N 9.14 0.12 0.00 3.54 5.19 -1.80 -2.93 116.42 129.68 2kem h ASP 162 Ca -0.29 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 2kem h ASP 162 Cb 1.09 0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.81 2kem h ASP 162 CO 1.06 -0.09 0.00 0.00 -3.12 0.00 0.00 179.24 177.09 2kem n HIS 163 N -5.16 0.00 -2.23 4.55 1.44 -1.26 -4.72 115.22 107.84 2kem n HIS 163 Ca 0.21 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.87 2kem n HIS 163 Cb 0.65 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.75 2kem n HIS 163 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 2kem n GLN 164 N 0.00 -2.39 0.00 -1.40 -0.06 -1.26 0.18 117.38 112.45 2kem n GLN 164 Ca 0.00 0.26 0.00 0.00 -2.00 0.00 0.00 57.00 55.26 2kem n GLN 164 Cb 0.00 -4.72 0.00 0.00 -4.06 0.00 0.00 30.24 21.46 2kem n GLN 164 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2kem n GLY 165 N -0.53 0.68 3.19 1.69 0.00 -1.26 -4.87 105.19 104.10 2kem n GLY 165 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 2.00 -0.17 4.61 0.00 0.46 -5.05 121.76 121.61 2kem s ALA 166 Ca 0.00 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 50.89 2kem s ALA 166 Cb 0.00 -0.74 -0.16 0.00 0.00 0.00 0.00 23.12 22.22 2kem s ALA 166 CO 0.00 0.28 0.22 -1.00 0.00 0.00 0.00 175.76 175.26 2kem h PRO 167 N 6.65 0.00 -3.98 0.00 0.13 -1.94 -3.38 132.00 129.47 2kem h PRO 167 Ca -0.23 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.47 2kem h PRO 167 Cb 1.22 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.00 2kem h PRO 167 CO 0.47 0.73 -0.77 -0.06 -0.23 0.00 0.00 178.00 178.13 2kem s PHE 168 N -2.25 0.81 -0.02 1.56 0.08 -1.26 -4.88 117.98 112.01 2kem s PHE 168 Ca -0.22 -0.25 -0.30 0.00 0.12 0.00 0.00 56.93 56.28 2kem s PHE 168 Cb 0.03 -0.75 -0.03 0.00 -0.57 0.00 0.00 43.02 41.70 2kem s PHE 168 CO 0.49 -0.25 1.02 -1.14 -0.10 0.00 0.00 175.22 175.24 2kem s GLN 169 N 1.20 4.50 0.00 0.44 2.00 -1.26 -5.00 119.66 121.55 2kem s GLN 169 Ca -0.06 1.46 0.00 0.00 -2.00 0.00 0.00 55.36 54.76 2kem s GLN 169 Cb -0.14 -3.47 0.00 0.00 0.80 0.00 0.00 33.01 30.20 2kem s GLN 169 CO -0.02 -0.15 0.00 -0.35 -0.50 0.00 0.00 175.29 174.27 2kem n PRO 170 N 4.23 0.00 0.00 1.67 -0.04 -1.26 -4.28 135.00 135.32 2kem n PRO 170 Ca 0.07 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 2kem n PRO 170 Cb 0.50 -0.68 0.00 0.00 -0.04 0.00 0.00 33.50 33.28 2kem n PRO 170 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 2kem n TRP 171 N -1.95 0.00 0.00 0.54 -0.00 -1.26 -4.74 117.44 110.03 2kem n TRP 171 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2kem n TRP 171 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 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 4.00 0.00 0.00 5.87 -0.08 -1.26 -4.53 116.55 120.55 2kem n ASP 172 Ca 0.00 0.00 0.23 0.00 -1.51 0.00 0.00 54.79 53.51 2kem n ASP 172 Cb 0.00 0.00 0.72 0.00 2.34 0.00 0.00 41.12 44.18 2kem n ASP 172 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2kem h GLY 173 N 0.00 0.00 2.00 0.27 0.00 -1.99 0.89 103.07 104.24 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 0.00 0.17 0.00 0.00 0.00 176.54 176.71 2kem h LEU 174 N 0.00 0.00 -0.38 3.11 -0.00 -1.89 -1.31 115.31 114.85 2kem h LEU 174 Ca 0.27 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.97 2kem h LEU 174 Cb 1.34 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.00 2kem h LEU 174 CO -0.00 0.00 -0.54 -0.78 -0.00 0.00 0.00 178.44 177.12 2kem h ASP 175 N 0.00 0.86 -0.01 0.17 1.82 0.45 0.18 116.42 119.89 2kem h ASP 175 Ca 0.00 -0.46 -0.00 0.00 -0.39 0.00 0.00 57.03 56.18 2kem h ASP 175 Cb 0.32 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 40.09 2kem h ASP 175 CO 0.00 1.23 0.00 -0.08 -1.61 0.00 0.00 179.24 178.78 2kem h GLU 176 N 0.60 0.01 0.00 0.28 4.81 -1.30 -0.44 114.58 118.54 2kem h GLU 176 Ca 0.01 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2kem h GLU 176 Cb 1.13 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2kem h GLU 176 CO 0.11 0.06 0.00 0.45 -0.73 0.00 0.00 179.01 178.91 2kem h HIS 177 N -0.05 0.00 0.25 0.92 3.86 -1.39 -2.47 115.15 116.27 2kem h HIS 177 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2kem h HIS 177 Cb 0.06 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 2kem h HIS 177 CO -0.06 0.00 -0.16 1.03 0.86 0.00 0.00 177.93 179.60 2kem h SER 178 N 0.00 -0.41 0.55 2.45 0.87 0.11 2.82 113.55 119.95 2kem h SER 178 Ca 0.00 0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.46 2kem h SER 178 Cb 0.37 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 2kem h SER 178 CO 0.00 -0.26 -0.58 0.06 -0.53 0.00 0.00 176.83 175.52 2kem h GLN 179 N -0.40 0.03 0.00 2.24 3.07 -1.28 -2.05 115.11 116.72 2kem h GLN 179 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.70 2kem h GLN 179 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.90 2kem h GLN 179 CO 0.02 0.60 -0.00 -0.44 0.09 0.00 0.00 178.83 179.10 2kem h ASP 180 N 0.02 0.00 -0.62 0.06 5.19 -0.99 -2.24 116.42 117.85 2kem h ASP 180 Ca -0.01 0.00 0.11 0.00 -0.62 0.00 0.00 57.03 56.51 2kem h ASP 180 Cb 1.04 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.43 2kem h ASP 180 CO 0.08 0.01 -0.33 0.25 -3.12 0.00 0.00 179.24 176.13 2kem h LEU 181 N -0.03 -1.14 -0.30 1.55 6.46 0.49 0.16 115.31 122.51 2kem h LEU 181 Ca 0.00 0.23 -0.01 0.00 -0.12 0.00 0.00 57.88 57.98 2kem h LEU 181 Cb 0.00 0.58 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 2kem h LEU 181 CO 0.00 -0.30 0.15 -1.28 -0.62 0.00 0.00 178.44 176.39 2kem h SER 182 N -0.14 0.38 -0.89 1.25 0.87 -1.32 -1.46 113.55 112.24 2kem h SER 182 Ca 0.24 -0.11 0.26 0.00 -1.23 0.00 0.00 61.79 60.95 2kem h SER 182 Cb 0.55 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 2kem h SER 182 CO -0.70 0.39 0.64 1.23 -0.53 0.00 0.00 176.83 177.86 2kem h GLY 183 N 0.35 0.02 0.30 5.77 0.00 -0.41 0.79 103.07 109.88 2kem h GLY 183 Ca 0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 2kem h GLY 183 CO -0.01 -0.00 -0.11 3.21 0.00 0.00 0.00 176.54 179.62 2kem h ARG 184 N 0.01 0.07 -1.24 4.80 2.47 -0.07 -2.14 114.38 118.28 2kem h ARG 184 Ca 0.42 -0.08 0.37 0.00 -1.26 0.00 0.00 59.98 59.43 2kem h ARG 184 Cb 1.69 0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 29.93 2kem h ARG 184 CO -0.01 0.87 0.82 -0.07 0.56 0.00 0.00 179.97 182.14 2kem h LEU 185 N -0.69 0.27 0.05 3.04 -0.00 0.08 2.00 115.31 120.06 2kem h LEU 185 Ca -0.01 0.09 -0.25 0.00 -0.00 0.00 0.00 57.88 57.70 2kem h LEU 185 Cb 0.91 0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.60 2kem h LEU 185 CO 0.02 -0.05 -1.23 0.03 -0.00 0.00 0.00 178.44 177.22 2kem h ARG 186 N 0.18 0.10 0.00 1.13 -0.00 -1.40 -1.43 114.38 112.96 2kem h ARG 186 Ca 0.71 -0.18 -0.12 0.00 -0.50 0.00 0.00 59.98 59.89 2kem h ARG 186 Cb 2.21 0.07 -0.02 0.00 0.00 0.00 0.00 29.97 32.23 2kem h ARG 186 CO -0.29 1.01 -0.74 0.00 0.00 0.00 0.00 179.97 179.95 2kem h ALA 187 N 0.82 0.66 0.01 0.04 0.00 0.23 -2.68 119.26 118.33 2kem h ALA 187 Ca -0.11 -0.54 -0.30 0.00 0.00 0.00 0.00 54.91 53.96 2kem h ALA 187 Cb 1.89 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.64 2kem h ALA 187 CO 0.15 0.69 -1.74 0.44 0.00 0.00 0.00 179.25 178.78 2kem n ILE 188 N -3.13 1.62 0.21 0.00 -5.35 0.57 -1.84 119.36 111.44 2kem n ILE 188 Ca -0.01 -0.79 0.11 0.00 -0.27 0.00 0.00 62.75 61.79 2kem n ILE 188 Cb 0.76 -1.08 0.18 0.00 -1.74 0.00 0.00 39.64 37.76 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 0.01 0.00 0.00 7.28 -0.00 -1.35 -3.36 115.31 117.89 2kem h LEU 189 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 2kem h LEU 189 Cb 2.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.68 2kem h LEU 189 CO 0.08 0.06 0.00 0.00 -0.00 0.00 0.00 178.44 178.58 2kem n GLN 190 N -3.12 0.00 -0.10 1.13 6.02 -1.01 -4.80 117.38 115.51 2kem n GLN 190 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2kem n GLN 190 Cb 0.54 -0.19 0.00 0.00 1.02 0.00 0.00 30.24 31.61 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 -3.07 2.65 -4.23 1.08 5.15 -0.77 -4.74 115.26 111.34 2kem n ASN 191 Ca 0.00 -1.62 -0.19 0.00 -0.60 0.00 0.00 54.58 52.17 2kem n ASN 191 Cb 0.00 -0.49 -0.12 0.00 -0.53 0.00 0.00 39.78 38.65 2kem n ASN 191 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2kem s GLN 192 N 0.34 0.98 0.00 1.20 -0.44 -0.90 -4.75 119.66 116.08 2kem s GLN 192 Ca 0.00 -1.14 0.00 0.00 -2.50 0.00 0.00 55.36 51.72 2kem s GLN 192 Cb 0.00 -0.96 0.00 0.00 -1.64 0.00 0.00 33.01 30.41 2kem s GLN 192 CO 0.00 0.20 0.00 -0.85 0.50 0.00 0.00 175.29 175.14 2kem n GLU 193 N 0.85 0.00 0.00 1.67 0.28 -1.26 -4.95 120.64 117.23 2kem n GLU 193 Ca -0.18 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 56.90 2kem n GLU 193 Cb 0.56 0.00 0.07 0.00 1.43 0.00 0.00 31.44 33.49 2kem n GLU 193 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24