#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kh2 h PRO 2 N 0.00 0.00 -5.15 0.00 0.11 -2.07 -3.42 132.00 121.47 2kh2 h PRO 2 Ca 0.00 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.47 2kh2 h PRO 2 Cb 0.00 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 30.91 2kh2 h PRO 2 CO 0.00 0.38 -0.62 0.54 -0.21 0.00 0.00 178.00 178.09 2kh2 s VAL 3 N -3.69 4.33 0.06 3.15 0.11 -1.26 -5.09 120.40 118.01 2kh2 s VAL 3 Ca -0.00 -0.19 -0.19 0.00 -2.93 0.00 0.00 61.98 58.67 2kh2 s VAL 3 Cb 0.11 -2.97 -0.07 0.00 -1.53 0.00 0.00 36.38 31.93 2kh2 s VAL 3 CO 0.69 0.42 0.55 -0.13 -3.33 0.00 0.00 175.10 173.30 2kh2 s ARG 4 N 0.89 4.17 -0.06 1.54 0.52 -1.26 -5.05 118.95 119.69 2kh2 s ARG 4 Ca 0.02 0.70 -0.21 0.00 -0.52 0.00 0.00 55.73 55.72 2kh2 s ARG 4 Cb -0.14 -3.24 0.05 0.00 0.52 0.00 0.00 34.95 32.14 2kh2 s ARG 4 CO 0.02 0.64 0.49 -1.12 0.02 0.00 0.00 175.30 175.35 2kh2 s SER 5 N -1.09 -0.43 0.21 0.23 0.01 -1.26 -3.00 113.70 108.37 2kh2 s SER 5 Ca 0.28 0.51 -0.02 0.00 1.31 0.00 0.00 55.95 58.04 2kh2 s SER 5 Cb -0.19 0.55 -0.04 0.00 0.21 0.00 0.00 66.02 66.55 2kh2 s SER 5 CO 0.18 -0.45 0.16 -1.48 0.41 0.00 0.00 173.24 172.06 2kh2 s LEU 6 N -0.95 1.11 -0.00 2.44 0.05 -0.93 -4.98 118.68 115.42 2kh2 s LEU 6 Ca -0.10 -1.37 0.05 0.00 0.05 0.00 0.00 54.13 52.76 2kh2 s LEU 6 Cb -0.03 0.48 -0.03 0.00 -2.05 0.00 0.00 46.19 44.56 2kh2 s LEU 6 CO 0.06 -0.87 -0.15 0.20 -0.55 0.00 0.00 176.35 175.04 2kh2 s ASN 7 N -3.16 4.00 0.20 1.48 0.01 -1.26 -0.10 114.94 116.10 2kh2 s ASN 7 Ca 0.38 -0.29 -0.18 0.00 -0.71 0.00 0.00 52.86 52.06 2kh2 s ASN 7 Cb 0.06 -0.77 0.03 0.00 0.41 0.00 0.00 41.25 40.98 2kh2 s ASN 7 CO 0.12 0.30 0.54 0.00 -1.51 0.00 0.00 177.10 176.54 2kh2 s THR 9 N -3.87 2.92 -0.25 0.00 2.01 0.32 -0.57 115.64 116.20 2kh2 s THR 9 Ca 0.09 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 2kh2 s THR 9 Cb -0.01 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 2kh2 s THR 9 CO -0.03 0.58 0.06 -0.76 -0.69 0.00 0.00 174.62 173.77 2kh2 s LEU 10 N -0.45 3.41 -0.02 4.42 1.43 -1.26 -1.10 118.68 125.11 2kh2 s LEU 10 Ca 0.05 -0.29 0.07 0.00 -1.03 0.00 0.00 54.13 52.94 2kh2 s LEU 10 Cb -0.12 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 2kh2 s LEU 10 CO 0.02 -0.05 -0.24 -0.13 0.23 0.00 0.00 176.35 176.18 2kh2 s ARG 11 N 1.58 1.92 0.90 1.70 0.52 -0.96 -4.05 118.95 120.57 2kh2 s ARG 11 Ca 0.06 -0.85 -0.15 0.00 -0.52 0.00 0.00 55.73 54.26 2kh2 s ARG 11 Cb -0.15 -1.86 0.21 0.00 0.52 0.00 0.00 34.95 33.66 2kh2 s ARG 11 CO 0.02 0.51 1.22 -0.40 0.02 0.00 0.00 175.30 176.68 2kh2 n ASP 12 N 2.48 0.05 0.00 0.23 5.75 -1.12 0.58 116.55 124.52 2kh2 n ASP 12 Ca -0.16 -1.43 0.06 0.00 -0.01 0.00 0.00 54.79 53.25 2kh2 n ASP 12 Cb 0.52 -0.94 0.29 0.00 -1.03 0.00 0.00 41.12 39.96 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2kh2 n SER 13 N -3.81 0.00 -0.97 -1.12 3.41 -1.25 -1.08 113.62 108.80 2kh2 n SER 13 Ca 0.15 0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.99 2kh2 n SER 13 Cb 0.53 -0.29 0.15 0.00 -0.26 0.00 0.00 64.21 64.35 2kh2 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kh2 n GLN 14 N -1.29 2.21 -1.72 4.33 1.13 -1.26 -4.95 117.38 115.84 2kh2 n GLN 14 Ca 0.05 -2.01 -0.12 0.00 -1.94 0.00 0.00 57.00 52.99 2kh2 n GLN 14 Cb 0.09 -1.44 -0.03 0.00 0.11 0.00 0.00 30.24 28.97 2kh2 n GLN 14 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2kh2 n GLN 15 N 1.28 -0.86 -2.76 -1.09 1.13 -0.24 -4.92 117.38 109.92 2kh2 n GLN 15 Ca 0.15 0.76 -0.37 0.00 -1.94 0.00 0.00 57.00 55.60 2kh2 n GLN 15 Cb 0.55 -4.82 -0.06 0.00 0.11 0.00 0.00 30.24 26.02 2kh2 n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2kh2 s LYS 16 N -3.67 4.59 0.13 -1.09 1.02 -1.26 -4.27 119.74 115.19 2kh2 s LYS 16 Ca 0.00 1.37 0.07 0.00 0.02 0.00 0.00 55.97 57.43 2kh2 s LYS 16 Cb 0.00 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 2kh2 s LYS 16 CO 0.00 0.28 -0.06 -1.12 -0.92 0.00 0.00 175.35 173.53 2kh2 s SER 17 N -1.55 4.56 -0.18 2.83 0.01 0.16 -2.79 113.70 116.75 2kh2 s SER 17 Ca 0.49 -0.39 -0.21 0.00 1.31 0.00 0.00 55.95 57.15 2kh2 s SER 17 Cb -0.20 -0.92 -0.03 0.00 0.21 0.00 0.00 66.02 65.09 2kh2 s SER 17 CO 0.25 0.14 0.64 -0.76 0.41 0.00 0.00 173.24 173.92 2kh2 s LEU 18 N -2.53 4.17 0.14 2.44 1.43 -1.26 -1.38 118.68 121.69 2kh2 s LEU 18 Ca 0.24 0.88 0.08 0.00 -1.03 0.00 0.00 54.13 54.31 2kh2 s LEU 18 Cb -0.10 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.16 2kh2 s LEU 18 CO 0.16 -0.25 -0.19 0.68 0.23 0.00 0.00 176.35 176.98 2kh2 s VAL 19 N 1.75 1.75 -0.30 -1.59 -7.23 0.34 -1.72 120.40 113.40 2kh2 s VAL 19 Ca 0.30 -1.78 -0.24 0.00 -1.81 0.00 0.00 61.98 58.44 2kh2 s VAL 19 Cb -0.16 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.05 2kh2 s VAL 19 CO 0.11 -0.24 0.84 -0.04 -0.31 0.00 0.00 175.10 175.46 2kh2 s MET 20 N -2.50 4.00 0.00 4.82 -1.94 -1.26 -0.67 119.30 121.75 2kh2 s MET 20 Ca 0.12 0.70 0.00 0.00 -1.71 0.00 0.00 55.69 54.80 2kh2 s MET 20 Cb -0.07 -3.72 0.00 0.00 2.01 0.00 0.00 34.83 33.05 2kh2 s MET 20 CO 0.06 -0.70 0.00 0.45 -0.01 0.00 0.00 175.02 174.81 2kh2 n SER 21 N 6.29 0.00 -1.76 3.03 2.88 0.34 -4.96 113.62 119.45 2kh2 n SER 21 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2kh2 n SER 21 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2kh2 n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kh2 n GLY 22 N 2.58 0.49 0.21 0.46 0.00 -1.23 -4.92 105.19 102.79 2kh2 n GLY 22 Ca 0.00 -1.87 0.07 0.00 0.00 0.00 0.00 46.02 44.23 2kh2 n GLY 22 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kh2 h PRO 23 N 0.00 0.00 -0.64 1.61 0.11 -2.04 -3.25 132.00 127.79 2kh2 h PRO 23 Ca 0.00 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.82 2kh2 h PRO 23 Cb 0.00 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 30.71 2kh2 h PRO 23 CO 0.00 0.28 -1.14 0.66 -0.21 0.00 0.00 178.00 177.59 2kh2 n TYR 24 N -3.67 1.26 -4.02 0.65 4.01 -1.26 -5.08 117.16 109.05 2kh2 n TYR 24 Ca -0.01 -2.37 -0.15 0.00 -0.16 0.00 0.00 57.90 55.21 2kh2 n TYR 24 Cb 0.40 -0.28 -0.15 0.00 -0.31 0.00 0.00 39.34 39.00 2kh2 n TYR 24 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2kh2 s GLU 25 N -3.57 0.27 -0.02 -0.72 2.12 -1.23 -4.43 118.70 111.12 2kh2 s GLU 25 Ca 0.28 -0.07 0.06 0.00 0.36 0.00 0.00 54.97 55.60 2kh2 s GLU 25 Cb 0.37 -0.31 -0.01 0.00 0.26 0.00 0.00 34.13 34.43 2kh2 s GLU 25 CO -0.01 0.01 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.02 2kh2 s LEU 26 N 0.21 2.02 0.16 2.70 1.43 -1.26 -0.50 118.68 123.45 2kh2 s LEU 26 Ca -0.02 -0.36 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 2kh2 s LEU 26 Cb -0.05 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 2kh2 s LEU 26 CO -0.01 0.23 -0.16 -0.54 0.23 0.00 0.00 176.35 176.11 2kh2 s LYS 27 N -0.40 1.21 -0.18 1.70 1.02 0.16 -1.54 119.74 121.71 2kh2 s LYS 27 Ca 0.06 -1.42 0.00 0.00 0.02 0.00 0.00 55.97 54.63 2kh2 s LYS 27 Cb -0.08 -1.12 0.01 0.00 -0.52 0.00 0.00 37.83 36.12 2kh2 s LYS 27 CO -0.00 0.21 -0.16 0.00 -0.92 0.00 0.00 175.35 174.47 2kh2 s ALA 28 N -2.41 2.44 0.07 5.17 0.00 0.69 -0.51 121.76 127.21 2kh2 s ALA 28 Ca 0.16 -1.16 -0.16 0.00 0.00 0.00 0.00 51.96 50.79 2kh2 s ALA 28 Cb -0.04 -1.26 0.03 0.00 0.00 0.00 0.00 23.12 21.85 2kh2 s ALA 28 CO 0.05 -0.27 0.38 -0.48 0.00 0.00 0.00 175.76 175.45 2kh2 s LEU 29 N 1.18 0.52 0.09 0.00 0.05 -0.48 -2.96 118.68 117.08 2kh2 s LEU 29 Ca 0.02 -0.14 -0.31 0.00 0.05 0.00 0.00 54.13 53.75 2kh2 s LEU 29 Cb -0.14 1.67 -0.10 0.00 -2.05 0.00 0.00 46.19 45.58 2kh2 s LEU 29 CO -0.07 -0.71 1.83 -1.00 -0.55 0.00 0.00 176.35 175.85 2kh2 s HIS 30 N -2.90 1.98 -0.24 3.48 3.76 -1.26 0.40 115.29 120.51 2kh2 s HIS 30 Ca -0.03 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.82 2kh2 s HIS 30 Cb 0.00 -4.16 0.06 0.00 1.11 0.00 0.00 32.58 29.60 2kh2 s HIS 30 CO -0.05 -4.87 -0.03 -1.17 -0.85 0.00 0.00 174.74 167.77 2kh2 s LEU 31 N 3.16 2.51 0.00 0.89 2.96 -1.26 -4.87 118.68 122.07 2kh2 s LEU 31 Ca 0.81 -1.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 2kh2 s LEU 31 Cb -0.44 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.12 2kh2 s LEU 31 CO 0.37 -0.26 0.00 0.00 -1.32 0.00 0.00 176.35 175.14 2kh2 n GLN 32 N 4.70 1.22 0.00 1.98 6.02 -1.26 -4.76 117.38 125.27 2kh2 n GLN 32 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 2kh2 n GLN 32 Cb 0.44 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.70 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kh2 n GLY 33 N 1.52 2.01 0.00 1.08 0.00 -1.26 -3.26 105.19 105.29 2kh2 n GLY 33 Ca 0.00 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.55 2kh2 n GLY 33 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kh2 n GLN 34 N 13.22 1.15 -0.47 1.61 -0.06 -1.26 -4.33 117.38 127.23 2kh2 n GLN 34 Ca 0.00 -0.02 0.06 0.00 -2.00 0.00 0.00 57.00 55.04 2kh2 n GLN 34 Cb 0.00 -1.34 0.25 0.00 -4.06 0.00 0.00 30.24 25.09 2kh2 n GLN 34 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2kh2 n ASP 35 N -1.49 3.59 0.29 1.69 9.92 -1.21 -4.20 116.55 125.15 2kh2 n ASP 35 Ca 0.03 -2.40 0.18 0.00 -0.53 0.00 0.00 54.79 52.06 2kh2 n ASP 35 Cb 0.29 -0.52 0.90 0.00 -0.64 0.00 0.00 41.12 41.15 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 2kh2 h MET 36 N 2.67 0.00 0.00 -1.24 4.05 -1.74 -2.03 114.93 116.64 2kh2 h MET 36 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kh2 h MET 36 Cb 1.19 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 2kh2 h MET 36 CO 0.21 0.04 0.00 0.39 0.23 0.00 0.00 176.91 177.79 2kh2 n GLU 37 N -3.31 0.97 -0.20 0.39 -0.58 -1.26 -2.83 120.64 113.83 2kh2 n GLU 37 Ca -0.02 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.82 2kh2 n GLU 37 Cb 0.19 -1.10 0.27 0.00 -0.57 0.00 0.00 31.44 30.23 2kh2 n GLU 37 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2kh2 n GLN 38 N -0.60 2.16 -2.04 3.49 6.02 -0.77 -4.94 117.38 120.70 2kh2 n GLN 38 Ca 0.05 -1.77 -0.34 0.00 -0.01 0.00 0.00 57.00 54.93 2kh2 n GLN 38 Cb 0.02 -1.43 0.02 0.00 1.02 0.00 0.00 30.24 29.87 2kh2 n GLN 38 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2kh2 s GLN 39 N -1.49 3.19 0.04 -1.09 -2.07 -1.13 -4.81 119.66 112.31 2kh2 s GLN 39 Ca 0.35 1.39 -0.19 0.00 -1.82 0.00 0.00 55.36 55.09 2kh2 s GLN 39 Cb 0.19 -2.00 -0.06 0.00 -1.09 0.00 0.00 33.01 30.05 2kh2 s GLN 39 CO 0.27 -0.94 0.56 0.08 -1.32 0.00 0.00 175.29 173.93 2kh2 s VAL 40 N -2.19 4.82 -0.17 3.63 1.01 -0.70 -5.04 120.40 121.77 2kh2 s VAL 40 Ca 0.68 1.18 -0.07 0.00 0.00 0.00 0.00 61.98 63.77 2kh2 s VAL 40 Cb -0.20 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2kh2 s VAL 40 CO 0.34 0.52 0.06 -0.69 0.00 0.00 0.00 175.10 175.33 2kh2 s VAL 41 N -0.83 4.74 -0.12 2.92 1.01 -1.26 -4.71 120.40 122.15 2kh2 s VAL 41 Ca 0.29 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 2kh2 s VAL 41 Cb -0.19 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 2kh2 s VAL 41 CO 0.18 0.49 0.03 -0.36 0.00 0.00 0.00 175.10 175.43 2kh2 s PHE 42 N 0.13 3.21 -0.24 5.22 0.08 0.26 -1.24 117.98 125.39 2kh2 s PHE 42 Ca 0.05 0.14 -0.18 0.00 0.12 0.00 0.00 56.93 57.05 2kh2 s PHE 42 Cb -0.12 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.41 2kh2 s PHE 42 CO 0.01 0.36 0.53 -1.12 -0.10 0.00 0.00 175.22 174.91 2kh2 s SER 43 N -0.46 6.50 -0.37 1.36 0.01 0.12 -0.80 113.70 120.05 2kh2 s SER 43 Ca 0.09 0.60 -0.10 0.00 1.31 0.00 0.00 55.95 57.85 2kh2 s SER 43 Cb -0.12 -2.29 0.04 0.00 0.21 0.00 0.00 66.02 63.85 2kh2 s SER 43 CO 0.02 -0.27 0.19 -0.32 0.41 0.00 0.00 173.24 173.27 2kh2 s MET 44 N 2.13 2.75 -0.07 12.44 1.75 0.85 -2.46 119.30 136.69 2kh2 s MET 44 Ca 0.23 -1.14 -0.05 0.00 -1.25 0.00 0.00 55.69 53.48 2kh2 s MET 44 Cb -0.16 -3.67 -0.04 0.00 2.84 0.00 0.00 34.83 33.80 2kh2 s MET 44 CO 0.09 -0.72 0.14 -1.12 -0.65 0.00 0.00 175.02 172.76 2kh2 s SER 45 N 1.56 6.24 -0.47 1.11 0.01 -1.19 -2.18 113.70 118.78 2kh2 s SER 45 Ca 0.01 0.38 -0.22 0.00 1.31 0.00 0.00 55.95 57.43 2kh2 s SER 45 Cb -0.20 -1.97 0.03 0.00 0.21 0.00 0.00 66.02 64.10 2kh2 s SER 45 CO 0.05 0.35 0.77 -0.36 0.41 0.00 0.00 173.24 174.46 2kh2 s PHE 46 N -1.13 2.97 0.21 2.43 0.40 -1.16 -0.98 117.98 120.72 2kh2 s PHE 46 Ca 0.19 0.01 -0.02 0.00 -0.60 0.00 0.00 56.93 56.51 2kh2 s PHE 46 Cb -0.12 -3.67 0.05 0.00 0.51 0.00 0.00 43.02 39.78 2kh2 s PHE 46 CO 0.09 -1.04 0.28 1.33 0.70 0.00 0.00 175.22 176.59 2kh2 n VAL 47 N 6.04 0.00 -4.00 -0.44 0.24 -0.92 -4.84 118.33 114.41 2kh2 n VAL 47 Ca 0.01 -0.30 -0.34 0.00 -2.04 0.00 0.00 64.34 61.67 2kh2 n VAL 47 Cb 0.48 -1.62 -0.15 0.00 -1.47 0.00 0.00 33.84 31.08 2kh2 n VAL 47 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2kh2 s GLN 48 N -3.41 2.83 0.00 7.34 2.00 -1.19 -4.85 119.66 122.38 2kh2 s GLN 48 Ca 0.17 -0.97 0.00 0.00 -2.00 0.00 0.00 55.36 52.56 2kh2 s GLN 48 Cb -0.01 -2.89 0.00 0.00 0.80 0.00 0.00 33.01 30.92 2kh2 s GLN 48 CO 0.12 -0.37 0.00 0.41 -0.50 0.00 0.00 175.29 174.95 2kh2 n GLY 49 N 4.64 1.36 3.58 2.59 0.00 -1.26 -4.99 105.19 111.11 2kh2 n GLY 49 Ca -0.17 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 2kh2 n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kh2 s GLU 50 N 3.38 2.87 -0.41 1.61 2.56 -1.26 -4.91 118.70 122.55 2kh2 s GLU 50 Ca 0.00 1.67 0.02 0.00 0.00 0.00 0.00 54.97 56.66 2kh2 s GLU 50 Cb 0.00 -4.39 0.12 0.00 2.00 0.00 0.00 34.13 31.86 2kh2 s GLU 50 CO 0.00 -2.40 0.18 -2.00 -0.56 0.00 0.00 175.26 170.48 2kh2 s GLU 51 N 6.75 1.29 0.00 4.30 2.12 -1.26 -3.74 118.70 128.16 2kh2 s GLU 51 Ca 0.94 -1.86 0.00 0.00 0.36 0.00 0.00 54.97 54.41 2kh2 s GLU 51 Cb -0.26 -2.55 0.00 0.00 0.26 0.00 0.00 34.13 31.58 2kh2 s GLU 51 CO 0.32 -1.08 0.00 -1.13 -0.54 0.00 0.00 175.26 172.83 2kh2 n SER 52 N 3.90 0.00 0.06 -1.70 3.41 -0.16 -5.02 113.62 114.11 2kh2 n SER 52 Ca 0.05 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.68 2kh2 n SER 52 Cb 0.37 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.27 2kh2 n SER 52 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2kh2 h ASN 53 N 0.00 0.00 0.00 4.04 -0.26 -2.01 -3.39 115.58 113.96 2kh2 h ASN 53 Ca 0.00 0.00 -0.40 0.00 -0.56 0.00 0.00 56.30 55.34 2kh2 h ASN 53 Cb 0.00 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.19 2kh2 h ASN 53 CO 0.00 0.44 -2.46 -0.90 -1.06 0.00 0.00 177.43 173.46 2kh2 n ASP 54 N -2.89 1.99 -4.64 5.81 5.75 -1.26 -4.94 116.55 116.38 2kh2 n ASP 54 Ca -0.06 0.03 -0.36 0.00 -0.01 0.00 0.00 54.79 54.39 2kh2 n ASP 54 Cb 0.76 -0.54 -0.10 0.00 -1.03 0.00 0.00 41.12 40.21 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2kh2 s LYS 55 N -2.50 4.01 -0.11 0.11 2.20 -1.26 -2.50 119.74 119.69 2kh2 s LYS 55 Ca -0.35 -0.30 0.02 0.00 -0.36 0.00 0.00 55.97 54.98 2kh2 s LYS 55 Cb 0.11 -3.45 0.01 0.00 -1.51 0.00 0.00 37.83 32.99 2kh2 s LYS 55 CO 0.54 0.09 -0.19 0.42 -0.36 0.00 0.00 175.35 175.85 2kh2 s ILE 56 N 0.95 1.72 -0.37 5.43 -1.09 0.26 -0.99 121.20 127.11 2kh2 s ILE 56 Ca 0.06 -0.79 -0.29 0.00 -2.23 0.00 0.00 60.65 57.40 2kh2 s ILE 56 Cb -0.13 -1.54 0.02 0.00 -1.58 0.00 0.00 42.46 39.23 2kh2 s ILE 56 CO 0.03 0.49 1.09 -2.16 -1.23 0.00 0.00 174.94 173.16 2kh2 s PRO 57 N 0.76 3.95 0.15 2.79 0.04 -1.25 -0.93 135.00 140.52 2kh2 s PRO 57 Ca -0.10 0.90 -0.01 0.00 0.04 0.00 0.00 61.00 61.83 2kh2 s PRO 57 Cb -0.16 -3.79 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 2kh2 s PRO 57 CO 0.01 -1.05 0.06 0.14 0.04 0.00 0.00 177.00 176.21 2kh2 s VAL 58 N 3.89 0.17 0.21 -0.36 -7.23 -0.15 -2.16 120.40 114.77 2kh2 s VAL 58 Ca 0.46 -1.94 0.08 0.00 -1.81 0.00 0.00 61.98 58.77 2kh2 s VAL 58 Cb -0.11 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 2kh2 s VAL 58 CO 0.20 -0.37 0.03 0.00 -0.31 0.00 0.00 175.10 174.66 2kh2 s ALA 59 N -4.01 3.25 -0.22 1.32 0.00 -0.16 0.01 121.76 121.95 2kh2 s ALA 59 Ca 0.27 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 2kh2 s ALA 59 Cb 0.07 -0.98 0.06 0.00 0.00 0.00 0.00 23.12 22.27 2kh2 s ALA 59 CO 0.04 0.39 -0.02 -0.51 0.00 0.00 0.00 175.76 175.66 2kh2 s LEU 60 N -3.28 2.03 0.15 0.00 1.43 -1.26 -3.15 118.68 114.60 2kh2 s LEU 60 Ca 0.29 -1.04 0.03 0.00 -1.03 0.00 0.00 54.13 52.38 2kh2 s LEU 60 Cb -0.08 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.14 2kh2 s LEU 60 CO 0.20 -0.26 -0.07 -0.83 0.23 0.00 0.00 176.35 175.62 2kh2 s GLY 61 N 1.57 1.06 0.04 -3.19 0.00 -1.03 -1.23 107.32 104.55 2kh2 s GLY 61 Ca -0.04 -1.50 -0.30 0.00 0.00 0.00 0.00 44.72 42.88 2kh2 s GLY 61 CO -0.07 -1.55 1.12 1.08 0.00 0.00 0.00 173.10 173.67 2kh2 s LEU 62 N -3.15 4.37 0.09 0.66 1.02 -0.08 0.15 118.68 121.75 2kh2 s LEU 62 Ca 0.18 1.88 -0.32 0.00 0.02 0.00 0.00 54.13 55.89 2kh2 s LEU 62 Cb 0.04 -3.58 -0.11 0.00 0.02 0.00 0.00 46.19 42.57 2kh2 s LEU 62 CO 0.00 -0.39 1.84 1.17 0.02 0.00 0.00 176.35 179.00 2kh2 n LYS 63 N 3.89 2.69 -1.31 1.70 4.81 -0.38 -1.62 118.16 127.95 2kh2 n LYS 63 Ca 0.08 0.98 -0.11 0.00 -0.87 0.00 0.00 58.31 58.39 2kh2 n LYS 63 Cb 0.48 -2.87 -0.05 0.00 0.02 0.00 0.00 35.03 32.62 2kh2 n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2kh2 n GLU 64 N 5.79 -0.79 -4.27 1.64 1.02 -1.26 -4.97 120.64 117.80 2kh2 n GLU 64 Ca 0.19 0.87 -0.15 0.00 -0.02 0.00 0.00 57.16 58.04 2kh2 n GLU 64 Cb 0.36 -4.83 -0.10 0.00 -0.02 0.00 0.00 31.44 26.85 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2kh2 s LYS 65 N -2.87 1.15 -0.47 3.49 1.02 -0.64 -5.04 119.74 116.38 2kh2 s LYS 65 Ca 0.00 -1.52 0.03 0.00 0.02 0.00 0.00 55.97 54.50 2kh2 s LYS 65 Cb 0.00 -0.61 0.65 0.00 -0.52 0.00 0.00 37.83 37.34 2kh2 s LYS 65 CO 0.00 0.02 1.93 0.27 -0.92 0.00 0.00 175.35 176.65 2kh2 n ASN 66 N -0.26 4.15 -4.41 2.83 6.94 -1.26 -4.60 115.26 118.64 2kh2 n ASN 66 Ca -0.09 -3.62 -0.34 0.00 -0.02 0.00 0.00 54.58 50.51 2kh2 n ASN 66 Cb 0.62 -0.85 -0.13 0.00 -2.36 0.00 0.00 39.78 37.05 2kh2 n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2kh2 s LEU 67 N -3.35 3.08 0.10 -4.53 1.43 -1.26 -1.51 118.68 112.64 2kh2 s LEU 67 Ca 0.58 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 53.50 2kh2 s LEU 67 Cb 0.48 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 2kh2 s LEU 67 CO 0.10 0.08 -0.20 -0.31 0.23 0.00 0.00 176.35 176.24 2kh2 s TYR 68 N 0.91 1.71 -0.28 0.29 1.51 -0.94 -0.90 117.35 119.65 2kh2 s TYR 68 Ca -0.00 -0.42 -0.29 0.00 -1.01 0.00 0.00 57.07 55.35 2kh2 s TYR 68 Cb -0.15 -0.94 -0.01 0.00 -0.11 0.00 0.00 41.96 40.76 2kh2 s TYR 68 CO 0.01 0.18 1.43 -0.51 -1.11 0.00 0.00 175.55 175.55 2kh2 s LEU 69 N -1.88 3.86 -0.10 -1.29 1.43 -0.36 -1.29 118.68 119.05 2kh2 s LEU 69 Ca 0.05 1.32 -0.01 0.00 -1.03 0.00 0.00 54.13 54.46 2kh2 s LEU 69 Cb -0.10 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 2kh2 s LEU 69 CO 0.04 -1.18 -0.04 -0.55 0.23 0.00 0.00 176.35 174.85 2kh2 s SER 70 N 3.44 4.87 -0.41 2.29 0.15 0.83 -4.47 113.70 120.40 2kh2 s SER 70 Ca 0.62 -0.01 -0.13 0.00 0.70 0.00 0.00 55.95 57.14 2kh2 s SER 70 Cb -0.19 -1.46 0.04 0.00 -1.71 0.00 0.00 66.02 62.70 2kh2 s SER 70 CO 0.26 0.31 0.28 0.00 1.20 0.00 0.00 173.24 175.29 2kh2 s VAL 72 N 1.61 0.90 -0.27 0.00 -7.23 -1.04 -4.70 120.40 109.67 2kh2 s VAL 72 Ca 0.04 -2.02 -0.16 0.00 -1.81 0.00 0.00 61.98 58.03 2kh2 s VAL 72 Cb -0.21 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 2kh2 s VAL 72 CO 0.07 -0.38 0.42 -0.76 -0.31 0.00 0.00 175.10 174.15 2kh2 s LEU 73 N -3.26 4.07 -0.28 1.32 1.43 -1.26 0.05 118.68 120.76 2kh2 s LEU 73 Ca 0.27 0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.72 2kh2 s LEU 73 Cb 0.06 -2.50 0.07 0.00 0.03 0.00 0.00 46.19 43.84 2kh2 s LEU 73 CO 0.07 -0.24 -0.07 -0.54 0.23 0.00 0.00 176.35 175.80 2kh2 s LYS 74 N 2.16 2.11 -0.95 1.70 1.02 0.52 -4.74 119.74 121.55 2kh2 s LYS 74 Ca 0.17 -1.45 -0.03 0.00 0.02 0.00 0.00 55.97 54.68 2kh2 s LYS 74 Cb -0.16 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 2kh2 s LYS 74 CO 0.10 -0.65 0.82 -3.47 -0.92 0.00 0.00 175.35 171.23 2kh2 n ASP 75 N 4.41 -4.59 -1.23 2.83 4.64 -1.26 -2.76 116.55 118.58 2kh2 n ASP 75 Ca -0.11 -0.58 -0.15 0.00 -1.38 0.00 0.00 54.79 52.57 2kh2 n ASP 75 Cb 0.42 -4.54 -0.07 0.00 -1.04 0.00 0.00 41.12 35.89 2kh2 n ASP 75 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2kh2 n ASP 76 N -2.94 -5.21 -3.75 1.67 9.92 -1.26 -4.95 116.55 110.02 2kh2 n ASP 76 Ca -0.13 0.38 -0.19 0.00 -0.53 0.00 0.00 54.79 54.32 2kh2 n ASP 76 Cb 0.62 -4.29 -0.17 0.00 -0.64 0.00 0.00 41.12 36.64 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2kh2 s LYS 77 N -3.27 0.23 0.17 -1.24 2.47 -1.11 -5.12 119.74 111.87 2kh2 s LYS 77 Ca 0.00 0.19 -0.32 0.00 -1.56 0.00 0.00 55.97 54.29 2kh2 s LYS 77 Cb 0.00 -0.61 -0.11 0.00 -1.46 0.00 0.00 37.83 35.65 2kh2 s LYS 77 CO 0.00 -0.25 1.72 -2.14 0.16 0.00 0.00 175.35 174.84 2kh2 s PRO 78 N 1.67 4.15 -0.05 4.03 0.02 -1.26 -0.36 135.00 143.20 2kh2 s PRO 78 Ca -0.01 2.55 -0.04 0.00 0.02 0.00 0.00 61.00 63.53 2kh2 s PRO 78 Cb -0.13 -3.24 0.02 0.00 0.02 0.00 0.00 34.50 31.17 2kh2 s PRO 78 CO -0.03 -0.75 0.13 0.99 -0.33 0.00 0.00 177.00 177.01 2kh2 s THR 79 N 1.63 -0.02 0.40 0.99 2.01 0.11 -4.73 115.64 116.02 2kh2 s THR 79 Ca 0.75 0.07 -0.23 0.00 0.31 0.00 0.00 61.69 62.59 2kh2 s THR 79 Cb -0.47 -0.20 -0.10 0.00 0.01 0.00 0.00 72.50 71.75 2kh2 s THR 79 CO 0.33 0.03 1.00 -0.22 -0.69 0.00 0.00 174.62 175.07 2kh2 s LEU 80 N 0.51 4.11 0.28 4.42 2.96 -1.26 -2.49 118.68 127.22 2kh2 s LEU 80 Ca -0.04 1.90 -0.14 0.00 -0.22 0.00 0.00 54.13 55.63 2kh2 s LEU 80 Cb -0.05 -4.26 0.01 0.00 0.50 0.00 0.00 46.19 42.39 2kh2 s LEU 80 CO -0.02 -0.39 0.58 0.00 -1.32 0.00 0.00 176.35 175.20 2kh2 s GLN 81 N -2.62 1.74 -0.37 1.98 -2.07 -0.09 -4.77 119.66 113.46 2kh2 s GLN 81 Ca 0.58 -1.26 -0.13 0.00 -1.82 0.00 0.00 55.36 52.72 2kh2 s GLN 81 Cb -0.18 0.53 0.01 0.00 -1.09 0.00 0.00 33.01 32.28 2kh2 s GLN 81 CO 0.23 -0.76 0.25 -0.51 -1.32 0.00 0.00 175.29 173.17 2kh2 s LEU 82 N -3.02 4.78 -0.19 2.60 2.01 -1.26 -0.12 118.68 123.48 2kh2 s LEU 82 Ca 0.19 -0.77 -0.08 0.00 0.01 0.00 0.00 54.13 53.48 2kh2 s LEU 82 Cb -0.03 -2.11 -0.04 0.00 0.01 0.00 0.00 46.19 44.02 2kh2 s LEU 82 CO 0.10 -0.36 0.09 -0.70 1.01 0.00 0.00 176.35 176.50 2kh2 s GLU 83 N 1.65 4.03 -0.40 1.70 2.12 -0.41 -4.92 118.70 122.48 2kh2 s GLU 83 Ca 0.05 -0.28 -0.27 0.00 0.36 0.00 0.00 54.97 54.83 2kh2 s GLU 83 Cb -0.18 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 30.93 2kh2 s GLU 83 CO 0.09 0.32 0.97 -1.12 -0.54 0.00 0.00 175.26 174.98 2kh2 s SER 84 N 0.27 6.66 0.24 -1.70 0.01 -1.26 -2.21 113.70 115.71 2kh2 s SER 84 Ca 0.06 0.51 0.07 0.00 1.31 0.00 0.00 55.95 57.90 2kh2 s SER 84 Cb -0.12 -2.48 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 2kh2 s SER 84 CO -0.01 -0.96 0.19 0.68 0.41 0.00 0.00 173.24 173.55 2kh2 s VAL 85 N 3.71 4.43 0.02 3.43 -7.23 -0.57 -5.05 120.40 119.14 2kh2 s VAL 85 Ca 0.40 -1.39 -0.33 0.00 -1.81 0.00 0.00 61.98 58.85 2kh2 s VAL 85 Cb -0.11 -3.38 -0.12 0.00 0.56 0.00 0.00 36.38 33.33 2kh2 s VAL 85 CO 0.22 -0.33 1.82 -0.67 -0.31 0.00 0.00 175.10 175.83 2kh2 n ASP 86 N -1.10 3.56 0.00 4.85 -0.08 -1.26 -4.86 116.55 117.67 2kh2 n ASP 86 Ca -0.08 0.99 0.09 0.00 -1.51 0.00 0.00 54.79 54.28 2kh2 n ASP 86 Cb 0.58 -1.43 0.53 0.00 2.34 0.00 0.00 41.12 43.13 2kh2 n ASP 86 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2kh2 n PRO 87 N 5.84 0.78 -0.00 -0.67 -0.04 -1.26 -3.18 135.00 136.47 2kh2 n PRO 87 Ca 0.20 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.67 2kh2 n PRO 87 Cb 0.32 -1.35 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 2kh2 n PRO 87 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2kh2 n LYS 88 N -0.85 4.25 -0.18 0.54 2.85 -1.26 -4.61 118.16 118.89 2kh2 n LYS 88 Ca 0.13 -0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.44 2kh2 n LYS 88 Cb 0.06 -0.73 0.15 0.00 -0.65 0.00 0.00 35.03 33.86 2kh2 n LYS 88 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2kh2 n ASN 89 N -1.21 2.90 -4.10 -5.58 3.02 -1.20 -4.98 115.26 104.11 2kh2 n ASN 89 Ca 0.00 -2.04 -0.17 0.00 -0.03 0.00 0.00 54.58 52.34 2kh2 n ASN 89 Cb 0.03 -0.23 -0.13 0.00 -0.61 0.00 0.00 39.78 38.84 2kh2 n ASN 89 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2kh2 s TYR 90 N -1.07 0.94 0.86 3.10 1.51 -1.19 -4.48 117.35 117.03 2kh2 s TYR 90 Ca 0.22 -0.38 -0.09 0.00 -1.01 0.00 0.00 57.07 55.82 2kh2 s TYR 90 Cb 0.12 -0.56 0.18 0.00 -0.11 0.00 0.00 41.96 41.59 2kh2 s TYR 90 CO 0.14 -0.00 1.18 -1.25 -1.11 0.00 0.00 175.55 174.51 2kh2 s PRO 91 N -1.23 1.01 0.12 -1.71 0.04 -1.26 -4.90 135.00 127.07 2kh2 s PRO 91 Ca -0.03 -0.81 -0.06 0.00 0.04 0.00 0.00 61.00 60.14 2kh2 s PRO 91 Cb -0.08 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 2kh2 s PRO 91 CO 0.01 -2.04 0.17 -1.59 0.04 0.00 0.00 177.00 173.59 2kh2 s LYS 92 N -5.57 0.94 0.07 4.56 -2.85 -1.26 -5.07 119.74 110.56 2kh2 s LYS 92 Ca 0.71 -1.15 -0.22 0.00 -1.00 0.00 0.00 55.97 54.31 2kh2 s LYS 92 Cb -0.04 0.32 -0.13 0.00 -2.06 0.00 0.00 37.83 35.93 2kh2 s LYS 92 CO 0.49 -0.30 1.56 -0.22 0.10 0.00 0.00 175.35 176.99 2kh2 h LYS 93 N 2.75 0.18 -3.67 1.78 3.11 -1.97 -3.35 116.57 115.39 2kh2 h LYS 93 Ca -0.33 -0.04 -0.76 0.00 -2.81 0.00 0.00 60.65 56.71 2kh2 h LYS 93 Cb 1.20 -0.03 -0.30 0.00 -1.00 0.00 0.00 32.23 32.11 2kh2 h LYS 93 CO 0.55 0.34 0.01 0.21 -2.81 0.00 0.00 179.45 177.75 2kh2 s LYS 94 N -5.34 3.39 0.96 1.90 2.47 -1.26 -3.17 119.74 118.69 2kh2 s LYS 94 Ca -0.14 -2.67 -0.16 0.00 -1.56 0.00 0.00 55.97 51.44 2kh2 s LYS 94 Cb 0.06 -4.22 0.19 0.00 -1.46 0.00 0.00 37.83 32.40 2kh2 s LYS 94 CO 0.70 -1.25 1.31 -1.64 0.16 0.00 0.00 175.35 174.62 2kh2 s MET 95 N -0.25 0.67 0.48 4.03 -1.94 -1.26 -5.03 119.30 116.01 2kh2 s MET 95 Ca 0.20 -0.37 -0.21 0.00 -1.71 0.00 0.00 55.69 53.61 2kh2 s MET 95 Cb -0.12 -1.85 -0.08 0.00 2.01 0.00 0.00 34.83 34.79 2kh2 s MET 95 CO -0.08 -2.40 1.09 -1.21 -0.01 0.00 0.00 175.02 172.41 2kh2 s GLU 96 N -5.86 3.74 0.53 2.03 8.01 -1.26 -4.92 118.70 120.97 2kh2 s GLU 96 Ca 0.73 1.52 0.23 0.00 0.01 0.00 0.00 54.97 57.46 2kh2 s GLU 96 Cb -0.04 -2.20 1.37 0.00 -4.31 0.00 0.00 34.13 28.95 2kh2 s GLU 96 CO 0.53 -0.51 2.05 -0.22 0.01 0.00 0.00 175.26 177.12 2kh2 h LYS 97 N 1.72 0.00 0.00 1.61 1.63 -1.96 0.70 116.57 120.27 2kh2 h LYS 97 Ca -0.49 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 2kh2 h LYS 97 Cb 1.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2kh2 h LYS 97 CO 0.59 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 179.48 2kh2 n ARG 98 N -4.39 0.02 -0.08 1.90 1.85 -1.26 -2.52 116.66 112.18 2kh2 n ARG 98 Ca 0.05 0.14 0.05 0.00 -1.00 0.00 0.00 57.85 57.09 2kh2 n ARG 98 Cb 0.43 -1.50 0.09 0.00 -1.05 0.00 0.00 32.46 30.43 2kh2 n ARG 98 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2kh2 n PHE 99 N -1.49 0.20 -3.45 2.89 3.72 0.22 -0.67 117.46 118.88 2kh2 n PHE 99 Ca 0.05 -0.25 -0.39 0.00 -0.05 0.00 0.00 57.45 56.81 2kh2 n PHE 99 Cb 0.24 -0.01 -0.10 0.00 -0.94 0.00 0.00 39.48 38.67 2kh2 n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2kh2 s VAL 100 N -0.90 5.21 0.07 -4.37 1.01 -1.05 -4.26 120.40 116.11 2kh2 s VAL 100 Ca 0.16 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.43 2kh2 s VAL 100 Cb 0.09 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2kh2 s VAL 100 CO 0.13 0.09 -0.01 -0.36 0.00 0.00 0.00 175.10 174.95 2kh2 s PHE 101 N 1.95 2.99 -0.58 5.22 0.08 0.10 -2.01 117.98 125.72 2kh2 s PHE 101 Ca 0.11 -0.01 -0.12 0.00 0.12 0.00 0.00 56.93 57.03 2kh2 s PHE 101 Cb -0.16 -1.56 0.15 0.00 -0.57 0.00 0.00 43.02 40.87 2kh2 s PHE 101 CO 0.11 0.47 0.50 -0.80 -0.10 0.00 0.00 175.22 175.39 2kh2 s ASN 102 N -2.11 6.06 -0.60 1.36 0.02 0.32 -0.98 114.94 119.01 2kh2 s ASN 102 Ca 0.24 -2.12 -0.26 0.00 -1.02 0.00 0.00 52.86 49.69 2kh2 s ASN 102 Cb -0.12 -2.11 0.04 0.00 0.02 0.00 0.00 41.25 39.08 2kh2 s ASN 102 CO 0.16 -0.70 1.12 -0.75 0.02 0.00 0.00 177.10 176.95 2kh2 s LYS 103 N 1.06 3.39 0.12 -0.60 2.20 -0.10 -0.68 119.74 125.13 2kh2 s LYS 103 Ca 0.08 -0.04 0.03 0.00 -0.36 0.00 0.00 55.97 55.68 2kh2 s LYS 103 Cb -0.24 -4.06 -0.04 0.00 -1.51 0.00 0.00 37.83 31.98 2kh2 s LYS 103 CO -0.01 -1.70 0.18 0.42 -0.36 0.00 0.00 175.35 173.87 2kh2 s ILE 104 N 4.73 4.94 -0.61 5.43 1.01 0.11 -0.58 121.20 136.23 2kh2 s ILE 104 Ca 0.37 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 60.32 2kh2 s ILE 104 Cb -0.10 -3.47 0.17 0.00 0.01 0.00 0.00 42.46 39.07 2kh2 s ILE 104 CO 0.21 0.01 0.44 -1.61 0.00 0.00 0.00 174.94 173.98 2kh2 s GLU 105 N -2.85 2.00 0.03 2.79 8.01 -1.04 -0.75 118.70 126.89 2kh2 s GLU 105 Ca 0.32 -2.95 -0.19 0.00 0.01 0.00 0.00 54.97 52.17 2kh2 s GLU 105 Cb -0.11 -2.85 -0.10 0.00 -4.31 0.00 0.00 34.13 26.75 2kh2 s GLU 105 CO 0.26 -1.30 1.28 -0.84 0.01 0.00 0.00 175.26 174.66 2kh2 h ILE 106 N 4.52 0.00 0.00 -1.63 3.07 -1.90 -3.47 117.51 118.10 2kh2 h ILE 106 Ca 0.16 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.57 2kh2 h ILE 106 Cb 0.80 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.35 2kh2 h ILE 106 CO 0.62 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.26 2kh2 n ASN 107 N -3.83 0.00 0.09 2.16 0.23 -1.26 -4.98 115.26 107.67 2kh2 n ASN 107 Ca -0.08 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.09 2kh2 n ASN 107 Cb 0.26 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.02 2kh2 n ASN 107 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 2kh2 h ASN 108 N 0.00 0.00 -2.12 0.53 -0.26 -2.02 -3.46 115.58 108.25 2kh2 h ASN 108 Ca 0.00 -0.09 -0.50 0.00 -0.56 0.00 0.00 56.30 55.15 2kh2 h ASN 108 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.22 2kh2 h ASN 108 CO 0.00 0.05 -0.50 -0.54 -1.06 0.00 0.00 177.43 175.37 2kh2 s LYS 109 N -3.29 2.91 0.12 0.81 -0.14 -1.26 -5.07 119.74 113.82 2kh2 s LYS 109 Ca 0.02 -1.09 0.10 0.00 -1.36 0.00 0.00 55.97 53.64 2kh2 s LYS 109 Cb 0.11 -2.56 -0.04 0.00 -1.68 0.00 0.00 37.83 33.66 2kh2 s LYS 109 CO 0.77 0.33 -0.25 -0.48 -0.76 0.00 0.00 175.35 174.96 2kh2 s LEU 110 N -3.89 2.31 0.14 3.17 2.34 -1.06 -3.41 118.68 118.28 2kh2 s LEU 110 Ca 0.35 -0.72 0.09 0.00 0.06 0.00 0.00 54.13 53.91 2kh2 s LEU 110 Cb -0.08 -1.09 -0.04 0.00 -0.56 0.00 0.00 46.19 44.43 2kh2 s LEU 110 CO 0.26 0.14 -0.21 -1.61 -1.06 0.00 0.00 176.35 173.86 2kh2 s GLU 111 N -1.96 1.28 -0.40 1.48 2.02 0.07 0.27 118.70 121.45 2kh2 s GLU 111 Ca 0.11 -1.33 -0.03 0.00 0.02 0.00 0.00 54.97 53.73 2kh2 s GLU 111 Cb -0.10 -1.51 0.10 0.00 0.10 0.00 0.00 34.13 32.72 2kh2 s GLU 111 CO 0.05 0.33 0.19 -0.06 0.02 0.00 0.00 175.26 175.80 2kh2 s PHE 112 N -1.53 3.53 0.29 1.61 0.08 -1.26 -0.71 117.98 119.99 2kh2 s PHE 112 Ca 0.13 -2.28 -0.06 0.00 0.12 0.00 0.00 56.93 54.84 2kh2 s PHE 112 Cb -0.08 -3.10 -0.06 0.00 -0.57 0.00 0.00 43.02 39.21 2kh2 s PHE 112 CO 0.06 -0.95 0.57 -2.00 -0.10 0.00 0.00 175.22 172.81 2kh2 s GLU 113 N 1.18 3.67 -0.13 0.44 2.12 0.15 -1.97 118.70 124.16 2kh2 s GLU 113 Ca 0.06 0.08 -0.21 0.00 0.36 0.00 0.00 54.97 55.26 2kh2 s GLU 113 Cb -0.23 -2.62 -0.03 0.00 0.26 0.00 0.00 34.13 31.51 2kh2 s GLU 113 CO -0.03 0.20 0.63 0.45 -0.54 0.00 0.00 175.26 175.96 2kh2 s SER 114 N -3.06 6.81 0.18 -1.70 0.15 0.13 0.12 113.70 116.33 2kh2 s SER 114 Ca 0.45 0.98 -0.07 0.00 0.70 0.00 0.00 55.95 58.01 2kh2 s SER 114 Cb -0.11 -2.36 0.09 0.00 -1.71 0.00 0.00 66.02 61.93 2kh2 s SER 114 CO 0.29 -0.15 1.55 0.00 1.20 0.00 0.00 173.24 176.13 2kh2 h ALA 115 N 7.01 0.73 -0.25 5.45 0.00 -1.66 -3.14 119.26 127.40 2kh2 h ALA 115 Ca -0.37 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.08 2kh2 h ALA 115 Cb 1.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2kh2 h ALA 115 CO 0.76 0.66 0.02 0.37 0.00 0.00 0.00 179.25 181.06 2kh2 h GLN 116 N 0.68 0.43 -4.23 0.00 5.75 -1.76 -3.38 115.11 112.60 2kh2 h GLN 116 Ca 0.07 -0.13 -0.68 0.00 -0.15 0.00 0.00 58.65 57.76 2kh2 h GLN 116 Cb 0.88 -0.04 -0.36 0.00 1.07 0.00 0.00 27.48 29.02 2kh2 h GLN 116 CO 0.08 0.58 -0.55 -0.06 -2.65 0.00 0.00 178.83 176.23 2kh2 s PHE 117 N -5.07 3.55 0.39 3.99 0.08 -1.19 -5.09 117.98 114.64 2kh2 s PHE 117 Ca -0.14 -2.67 -0.27 0.00 0.12 0.00 0.00 56.93 53.97 2kh2 s PHE 117 Cb 0.07 -3.13 -0.10 0.00 -0.57 0.00 0.00 43.02 39.30 2kh2 s PHE 117 CO 0.74 -0.92 1.45 -2.14 -0.10 0.00 0.00 175.22 174.26 2kh2 s PRO 118 N 0.70 4.03 0.00 0.24 0.02 -1.22 -2.30 135.00 136.47 2kh2 s PRO 118 Ca 0.11 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.63 2kh2 s PRO 118 Cb -0.22 -2.90 0.00 0.00 0.02 0.00 0.00 34.50 31.40 2kh2 s PRO 118 CO -0.04 -0.57 0.00 0.09 -0.33 0.00 0.00 177.00 176.15 2kh2 n ASN 119 N 0.33 -3.18 -4.32 2.53 5.03 -1.26 -5.00 115.26 109.39 2kh2 n ASN 119 Ca 0.02 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.12 2kh2 n ASN 119 Cb 0.40 -1.09 -0.14 0.00 -1.02 0.00 0.00 39.78 37.93 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2kh2 s TRP 120 N -1.98 2.94 0.24 3.10 0.52 -0.97 -4.38 118.94 118.41 2kh2 s TRP 120 Ca 0.00 -0.89 0.08 0.00 0.02 0.00 0.00 56.10 55.31 2kh2 s TRP 120 Cb 0.00 -2.07 -0.05 0.00 -1.15 0.00 0.00 33.47 30.20 2kh2 s TRP 120 CO 0.00 -0.49 -0.11 0.71 0.02 0.00 0.00 176.95 177.07 2kh2 s TYR 121 N 1.30 1.86 -0.02 -1.98 2.02 0.70 0.19 117.35 121.42 2kh2 s TYR 121 Ca 0.04 -0.60 -0.30 0.00 -0.37 0.00 0.00 57.07 55.83 2kh2 s TYR 121 Cb -0.14 -0.94 -0.06 0.00 -0.40 0.00 0.00 41.96 40.42 2kh2 s TYR 121 CO -0.02 0.36 1.62 0.42 -1.57 0.00 0.00 175.55 176.35 2kh2 s ILE 122 N -2.95 3.47 0.16 2.71 1.01 -0.83 -0.66 121.20 124.11 2kh2 s ILE 122 Ca 0.26 0.70 0.09 0.00 0.00 0.00 0.00 60.65 61.70 2kh2 s ILE 122 Cb 0.01 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 2kh2 s ILE 122 CO 0.10 -0.04 -0.19 -0.44 0.00 0.00 0.00 174.94 174.36 2kh2 s SER 123 N 2.91 2.75 -0.14 3.58 0.01 -0.05 -4.43 113.70 118.33 2kh2 s SER 123 Ca 0.72 -0.84 -0.06 0.00 1.31 0.00 0.00 55.95 57.08 2kh2 s SER 123 Cb -0.35 -0.17 0.06 0.00 0.21 0.00 0.00 66.02 65.78 2kh2 s SER 123 CO 0.30 -0.01 0.31 0.42 0.41 0.00 0.00 173.24 174.68 2kh2 s THR 124 N -1.89 -0.23 1.11 1.44 -4.23 -0.89 -2.85 115.64 108.10 2kh2 s THR 124 Ca 0.15 0.18 -0.13 0.00 -1.18 0.00 0.00 61.69 60.70 2kh2 s THR 124 Cb -0.06 -0.49 0.25 0.00 1.34 0.00 0.00 72.50 73.53 2kh2 s THR 124 CO 0.07 0.07 1.06 -0.44 -0.54 0.00 0.00 174.62 174.84 2kh2 s SER 125 N 1.82 1.61 0.31 3.99 0.01 -1.26 -0.39 113.70 119.79 2kh2 s SER 125 Ca -0.05 1.25 0.08 0.00 1.31 0.00 0.00 55.95 58.54 2kh2 s SER 125 Cb -0.11 -1.94 0.51 0.00 0.21 0.00 0.00 66.02 64.69 2kh2 s SER 125 CO -0.10 -3.77 1.72 1.56 0.41 0.00 0.00 173.24 173.06 2kh2 h GLN 126 N -2.33 0.16 -6.81 12.44 1.08 -1.97 -3.45 115.11 114.23 2kh2 h GLN 126 Ca -0.58 -0.08 -0.56 0.00 -1.45 0.00 0.00 58.65 55.98 2kh2 h GLN 126 Cb 1.34 -0.00 0.12 0.00 -0.05 0.00 0.00 27.48 28.89 2kh2 h GLN 126 CO 0.53 0.56 0.47 0.00 -0.95 0.00 0.00 178.83 179.43 2kh2 n ALA 127 N -2.47 1.20 -1.91 3.87 0.00 -1.26 -4.98 120.51 114.97 2kh2 n ALA 127 Ca -0.02 0.27 -0.33 0.00 0.00 0.00 0.00 53.44 53.36 2kh2 n ALA 127 Cb 0.47 -2.25 -0.07 0.00 0.00 0.00 0.00 19.45 17.61 2kh2 n ALA 127 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kh2 s GLU 128 N -2.17 4.16 -0.95 0.00 2.56 -1.26 -3.90 118.70 117.13 2kh2 s GLU 128 Ca 0.61 0.99 0.00 0.00 0.00 0.00 0.00 54.97 56.56 2kh2 s GLU 128 Cb -0.52 -2.25 0.00 0.00 2.00 0.00 0.00 34.13 33.37 2kh2 s GLU 128 CO 0.58 0.01 0.00 -1.71 -0.56 0.00 0.00 175.26 173.58 2kh2 n ASN 129 N -0.60 -3.69 -4.85 -1.70 5.15 -1.16 -5.01 115.26 103.41 2kh2 n ASN 129 Ca 0.06 0.07 -0.37 0.00 -0.60 0.00 0.00 54.58 53.74 2kh2 n ASN 129 Cb 0.54 -2.70 -0.06 0.00 -0.53 0.00 0.00 39.78 37.03 2kh2 n ASN 129 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2kh2 s MET 130 N -4.05 3.87 0.96 1.20 -1.94 -1.20 -4.85 119.30 113.29 2kh2 s MET 130 Ca 0.00 0.35 -0.12 0.00 -1.71 0.00 0.00 55.69 54.21 2kh2 s MET 130 Cb 0.00 -3.15 0.17 0.00 2.01 0.00 0.00 34.83 33.86 2kh2 s MET 130 CO 0.00 0.65 1.10 -2.14 -0.01 0.00 0.00 175.02 174.62 2kh2 s PRO 131 N -1.34 0.73 -0.22 2.03 0.02 -1.26 -0.22 135.00 134.73 2kh2 s PRO 131 Ca 0.27 0.52 -0.14 0.00 0.02 0.00 0.00 61.00 61.67 2kh2 s PRO 131 Cb -0.16 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 2kh2 s PRO 131 CO 0.15 -2.53 0.33 0.08 -0.33 0.00 0.00 177.00 174.70 2kh2 s VAL 132 N -3.02 5.24 0.34 3.83 1.01 -0.59 -4.70 120.40 122.51 2kh2 s VAL 132 Ca 0.65 0.54 0.05 0.00 0.00 0.00 0.00 61.98 63.22 2kh2 s VAL 132 Cb -0.18 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2kh2 s VAL 132 CO 0.57 0.27 0.20 0.72 0.00 0.00 0.00 175.10 176.86 2kh2 s PHE 133 N 1.33 1.71 -0.20 5.22 -0.71 -1.13 -4.85 117.98 119.34 2kh2 s PHE 133 Ca 0.15 -1.48 -0.09 0.00 -1.04 0.00 0.00 56.93 54.47 2kh2 s PHE 133 Cb -0.15 -0.87 -0.05 0.00 -1.21 0.00 0.00 43.02 40.75 2kh2 s PHE 133 CO 0.07 -0.62 0.11 -1.17 -1.34 0.00 0.00 175.22 172.27 2kh2 s LEU 134 N -3.44 4.05 0.15 -1.99 2.96 -1.26 -0.87 118.68 118.28 2kh2 s LEU 134 Ca 0.34 0.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.46 2kh2 s LEU 134 Cb 0.03 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 2kh2 s LEU 134 CO 0.21 0.16 -0.12 -0.83 -1.32 0.00 0.00 176.35 174.45 2kh2 s GLY 135 N 0.48 1.12 -0.06 7.98 0.00 0.17 -4.82 107.32 112.19 2kh2 s GLY 135 Ca 0.06 -1.46 0.09 0.00 0.00 0.00 0.00 44.72 43.41 2kh2 s GLY 135 CO -0.00 -1.55 1.03 0.61 0.00 0.00 0.00 173.10 173.19 2kh2 n GLY 136 N -0.03 3.28 2.87 0.20 0.00 -1.26 -0.22 105.19 110.03 2kh2 n GLY 136 Ca -0.11 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 2kh2 n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kh2 n THR 137 N -0.85 4.55 -1.96 2.61 -2.24 -1.26 -4.91 114.28 110.20 2kh2 n THR 137 Ca 0.07 -5.73 -0.42 0.00 -2.27 0.00 0.00 64.05 55.70 2kh2 n THR 137 Cb 0.48 -2.10 -0.03 0.00 -2.10 0.00 0.00 70.33 66.57 2kh2 n THR 137 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kh2 s LYS 138 N -2.65 4.23 0.00 -0.78 2.20 -1.26 -2.25 119.74 119.23 2kh2 s LYS 138 Ca 0.33 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 58.27 2kh2 s LYS 138 Cb 0.07 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 2kh2 s LYS 138 CO 0.07 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 174.91 2kh2 n GLY 139 N 3.46 0.47 0.00 5.54 0.00 -1.26 -5.03 105.19 108.37 2kh2 n GLY 139 Ca 0.12 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2kh2 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 140 N -2.89 0.73 0.11 -0.02 0.00 -0.95 -5.01 105.19 97.16 2kh2 n GLY 140 Ca 0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 2kh2 n GLY 140 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kh2 n GLN 141 N 0.00 0.68 -2.69 1.61 3.00 -1.26 -4.88 117.38 113.83 2kh2 n GLN 141 Ca 0.00 0.25 -0.41 0.00 -0.01 0.00 0.00 57.00 56.84 2kh2 n GLN 141 Cb 0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 30.24 28.46 2kh2 n GLN 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2kh2 s ASP 142 N -6.40 7.50 -0.09 1.08 1.01 -1.26 -4.26 116.67 114.24 2kh2 s ASP 142 Ca -0.13 1.89 -0.30 0.00 0.71 0.00 0.00 52.55 54.73 2kh2 s ASP 142 Cb 0.07 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2kh2 s ASP 142 CO 0.79 -0.03 1.13 -0.63 0.21 0.00 0.00 175.17 176.65 2kh2 s ILE 143 N -0.38 4.44 -0.02 0.77 1.01 0.47 -4.62 121.20 122.88 2kh2 s ILE 143 Ca 0.46 1.75 0.14 0.00 0.00 0.00 0.00 60.65 62.99 2kh2 s ILE 143 Cb -0.25 -4.12 -0.21 0.00 0.01 0.00 0.00 42.46 37.88 2kh2 s ILE 143 CO 0.31 -0.02 0.30 0.35 0.00 0.00 0.00 174.94 175.89 2kh2 n THR 144 N 4.67 0.02 -3.12 2.92 -2.24 -1.26 -2.09 114.28 113.18 2kh2 n THR 144 Ca 0.10 -0.32 -0.39 0.00 -2.27 0.00 0.00 64.05 61.18 2kh2 n THR 144 Cb 0.47 0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 2kh2 n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2kh2 s ASP 145 N -3.61 7.23 0.21 3.42 -4.77 -1.26 -4.26 116.67 113.64 2kh2 s ASP 145 Ca -0.05 1.46 0.06 0.00 -3.30 0.00 0.00 52.55 50.72 2kh2 s ASP 145 Cb 0.09 -2.43 -0.05 0.00 -1.09 0.00 0.00 42.92 39.44 2kh2 s ASP 145 CO 0.57 0.23 -0.08 -0.36 0.70 0.00 0.00 175.17 176.23 2kh2 s PHE 146 N -1.14 1.58 -0.32 2.11 0.08 0.14 -3.95 117.98 116.47 2kh2 s PHE 146 Ca 0.33 -0.73 -0.00 0.00 0.12 0.00 0.00 56.93 56.64 2kh2 s PHE 146 Cb -0.21 -0.83 0.07 0.00 -0.57 0.00 0.00 43.02 41.48 2kh2 s PHE 146 CO 0.23 0.17 0.03 0.99 -0.10 0.00 0.00 175.22 176.54 2kh2 s THR 147 N -3.19 2.80 -0.81 0.64 2.01 0.20 -2.56 115.64 114.71 2kh2 s THR 147 Ca 0.23 -1.73 -0.24 0.00 0.31 0.00 0.00 61.69 60.27 2kh2 s THR 147 Cb 0.03 -2.75 0.06 0.00 0.01 0.00 0.00 72.50 69.84 2kh2 s THR 147 CO 0.06 -0.30 1.22 -0.32 -0.69 0.00 0.00 174.62 174.59 2kh2 s MET 148 N 1.14 3.32 -0.25 4.92 1.75 -1.26 -2.27 119.30 126.65 2kh2 s MET 148 Ca -0.00 -0.82 -0.16 0.00 -1.25 0.00 0.00 55.69 53.46 2kh2 s MET 148 Cb -0.20 -4.58 -0.03 0.00 2.84 0.00 0.00 34.83 32.85 2kh2 s MET 148 CO -0.04 -2.03 0.43 -0.65 -0.65 0.00 0.00 175.02 172.09 2kh2 s GLN 149 N 4.71 4.07 -0.02 4.11 -0.21 -0.26 -4.91 119.66 127.15 2kh2 s GLN 149 Ca 0.34 0.17 -0.30 0.00 0.02 0.00 0.00 55.36 55.59 2kh2 s GLN 149 Cb -0.08 -3.63 -0.04 0.00 1.00 0.00 0.00 33.01 30.26 2kh2 s GLN 149 CO 0.04 -0.26 1.13 -0.06 -2.12 0.00 0.00 175.29 174.03 2kh2 s PHE 150 N 2.01 3.39 0.56 0.91 0.08 -1.26 -0.52 117.98 123.15 2kh2 s PHE 150 Ca 0.18 1.38 0.05 0.00 0.12 0.00 0.00 56.93 58.66 2kh2 s PHE 150 Cb -0.16 -3.33 0.05 0.00 -0.57 0.00 0.00 43.02 39.01 2kh2 s PHE 150 CO 0.09 -0.92 0.41 0.14 -0.10 0.00 0.00 175.22 174.84 2kh2 s VAL 151 N 1.64 1.54 -0.19 -0.44 -7.23 -1.17 -4.96 120.40 109.59 2kh2 s VAL 151 Ca 0.55 -1.50 -0.15 0.00 -1.81 0.00 0.00 61.98 59.06 2kh2 s VAL 151 Cb -0.24 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 2kh2 s VAL 151 CO 0.25 0.00 0.37 -0.44 -0.31 0.00 0.00 175.10 174.96 2kh2 s SER 152 N -4.30 6.44 0.00 4.85 0.01 -1.26 -4.82 113.70 114.61 2kh2 s SER 152 Ca 0.32 0.52 0.00 0.00 1.31 0.00 0.00 55.95 58.10 2kh2 s SER 152 Cb -0.02 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.99 2kh2 s SER 152 CO 0.20 -0.02 0.00 -1.20 0.41 0.00 0.00 173.24 172.63