#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 0.20 -5.74 0.00 0.13 -2.06 -3.43 132.00 121.10 2kh2 h PRO 2 Ca 0.00 -0.32 -0.62 0.00 -0.87 0.00 0.00 66.00 64.18 2kh2 h PRO 2 Cb 0.00 0.12 -0.13 0.00 0.13 0.00 0.00 31.00 31.12 2kh2 h PRO 2 CO 0.00 1.14 0.45 0.54 -0.23 0.00 0.00 178.00 179.90 2kh2 s VAL 3 N -2.73 4.51 -0.18 1.56 0.11 -1.26 -5.00 120.40 117.41 2kh2 s VAL 3 Ca -0.03 0.24 -0.22 0.00 -2.93 0.00 0.00 61.98 59.03 2kh2 s VAL 3 Cb 0.08 -4.46 -0.02 0.00 -1.53 0.00 0.00 36.38 30.45 2kh2 s VAL 3 CO 0.86 -0.97 0.70 -0.13 -3.33 0.00 0.00 175.10 172.23 2kh2 s ARG 4 N 3.62 4.25 -0.02 1.54 1.81 -1.26 -5.02 118.95 123.88 2kh2 s ARG 4 Ca 0.29 0.77 -0.20 0.00 -1.72 0.00 0.00 55.73 54.86 2kh2 s ARG 4 Cb -0.13 -3.57 0.04 0.00 -0.45 0.00 0.00 34.95 30.84 2kh2 s ARG 4 CO 0.19 -0.26 0.43 -1.12 -0.68 0.00 0.00 175.30 173.86 2kh2 s SER 5 N 1.17 -0.34 0.20 0.23 0.01 -1.26 -0.25 113.70 113.46 2kh2 s SER 5 Ca 0.32 0.25 0.01 0.00 1.31 0.00 0.00 55.95 57.85 2kh2 s SER 5 Cb -0.16 0.39 -0.05 0.00 0.21 0.00 0.00 66.02 66.41 2kh2 s SER 5 CO 0.11 -0.52 0.05 -0.76 0.41 0.00 0.00 173.24 172.53 2kh2 s LEU 6 N -1.38 1.87 -0.12 2.44 1.43 -0.23 -4.94 118.68 117.75 2kh2 s LEU 6 Ca -0.12 -1.26 0.01 0.00 -1.03 0.00 0.00 54.13 51.73 2kh2 s LEU 6 Cb -0.03 0.01 -0.01 0.00 0.03 0.00 0.00 46.19 46.19 2kh2 s LEU 6 CO 0.05 -0.65 -0.16 0.20 0.23 0.00 0.00 176.35 176.02 2kh2 s ASN 7 N -3.22 3.75 0.19 2.29 0.01 -1.26 0.48 114.94 117.18 2kh2 s ASN 7 Ca 0.30 -0.39 -0.11 0.00 -0.71 0.00 0.00 52.86 51.94 2kh2 s ASN 7 Cb 0.07 -1.55 -0.00 0.00 0.41 0.00 0.00 41.25 40.18 2kh2 s ASN 7 CO 0.08 0.17 0.37 0.00 -1.51 0.00 0.00 177.10 176.21 2kh2 s THR 9 N -3.97 2.79 -0.22 0.00 -4.23 0.30 -0.82 115.64 109.50 2kh2 s THR 9 Ca 0.17 -1.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.63 2kh2 s THR 9 Cb 0.02 -2.12 -0.02 0.00 1.34 0.00 0.00 72.50 71.72 2kh2 s THR 9 CO 0.02 0.47 0.02 -0.76 -0.54 0.00 0.00 174.62 173.83 2kh2 s LEU 10 N -1.05 3.27 -0.04 4.79 1.43 -1.26 -2.13 118.68 123.69 2kh2 s LEU 10 Ca 0.13 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 2kh2 s LEU 10 Cb -0.10 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.26 2kh2 s LEU 10 CO 0.03 0.01 -0.16 -0.13 0.23 0.00 0.00 176.35 176.32 2kh2 s ARG 11 N 1.33 1.75 0.67 1.70 1.81 -1.26 -4.13 118.95 120.83 2kh2 s ARG 11 Ca 0.04 -0.58 -0.10 0.00 -1.72 0.00 0.00 55.73 53.37 2kh2 s ARG 11 Cb -0.15 -1.52 0.15 0.00 -0.45 0.00 0.00 34.95 32.99 2kh2 s ARG 11 CO 0.02 0.22 0.91 -0.40 -0.68 0.00 0.00 175.30 175.37 2kh2 n ASP 12 N 3.21 0.19 0.08 0.23 5.68 -1.16 -1.76 116.55 123.01 2kh2 n ASP 12 Ca -0.18 -1.40 0.08 0.00 -0.50 0.00 0.00 54.79 52.78 2kh2 n ASP 12 Cb 0.53 -0.69 0.35 0.00 -1.14 0.00 0.00 41.12 40.18 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2kh2 n SER 13 N -3.52 0.32 -1.05 -1.12 7.64 -1.25 -1.05 113.62 113.58 2kh2 n SER 13 Ca 0.12 0.61 0.11 0.00 1.01 0.00 0.00 58.87 60.72 2kh2 n SER 13 Cb 0.41 -0.67 0.18 0.00 -1.01 0.00 0.00 64.21 63.12 2kh2 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kh2 n GLN 14 N -1.89 2.37 -2.02 1.43 1.13 -1.26 -4.94 117.38 112.18 2kh2 n GLN 14 Ca 0.01 -2.15 -0.12 0.00 -1.94 0.00 0.00 57.00 52.80 2kh2 n GLN 14 Cb 0.10 -1.47 -0.02 0.00 0.11 0.00 0.00 30.24 28.96 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 1.38 -0.95 -2.94 -1.09 1.13 -0.22 -4.99 117.38 109.70 2kh2 n GLN 15 Ca 0.17 0.68 -0.32 0.00 -1.94 0.00 0.00 57.00 55.58 2kh2 n GLN 15 Cb 0.58 -4.82 -0.06 0.00 0.11 0.00 0.00 30.24 26.05 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 -4.24 4.06 0.11 -1.09 1.02 -1.26 -4.43 119.74 113.91 2kh2 s LYS 16 Ca 0.00 0.83 0.09 0.00 0.02 0.00 0.00 55.97 56.92 2kh2 s LYS 16 Cb 0.00 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 2kh2 s LYS 16 CO 0.00 0.04 -0.19 -1.12 -0.92 0.00 0.00 175.35 173.16 2kh2 s SER 17 N -2.39 3.82 -0.16 2.83 0.01 0.17 -2.96 113.70 115.02 2kh2 s SER 17 Ca 0.57 -0.57 -0.24 0.00 1.31 0.00 0.00 55.95 57.02 2kh2 s SER 17 Cb -0.10 -0.51 -0.02 0.00 0.21 0.00 0.00 66.02 65.60 2kh2 s SER 17 CO 0.18 0.18 0.75 -0.76 0.41 0.00 0.00 173.24 174.00 2kh2 s LEU 18 N -2.09 4.19 0.14 2.44 1.43 -1.26 -1.32 118.68 122.21 2kh2 s LEU 18 Ca 0.17 1.08 0.08 0.00 -1.03 0.00 0.00 54.13 54.43 2kh2 s LEU 18 Cb -0.10 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 2kh2 s LEU 18 CO 0.09 -0.31 -0.19 0.68 0.23 0.00 0.00 176.35 176.86 2kh2 s VAL 19 N 1.82 1.76 -0.42 -1.59 -7.23 0.82 -1.99 120.40 113.57 2kh2 s VAL 19 Ca 0.35 -1.78 -0.28 0.00 -1.81 0.00 0.00 61.98 58.46 2kh2 s VAL 19 Cb -0.17 -1.73 0.02 0.00 0.56 0.00 0.00 36.38 35.07 2kh2 s VAL 19 CO 0.13 -0.23 1.08 -0.04 -0.31 0.00 0.00 175.10 175.73 2kh2 s MET 20 N -2.48 3.83 0.00 4.82 -1.94 -1.26 -0.99 119.30 121.28 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 -3.84 0.00 0.00 2.01 0.00 0.00 34.83 32.92 2kh2 s MET 20 CO 0.06 -1.17 0.12 0.45 -0.01 0.00 0.00 175.02 174.46 2kh2 n SER 21 N 7.38 0.00 -1.25 3.03 2.88 0.13 -4.95 113.62 120.84 2kh2 n SER 21 Ca 0.11 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2kh2 n SER 21 Cb 0.48 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 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 1.75 3.49 0.24 0.46 0.00 -1.19 -4.95 105.19 104.99 2kh2 n GLY 22 Ca 0.00 -2.12 0.09 0.00 0.00 0.00 0.00 46.02 44.00 2kh2 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kh2 h PRO 23 N 0.00 0.00 -0.41 1.61 0.13 -2.04 -3.18 132.00 128.11 2kh2 h PRO 23 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.86 2kh2 h PRO 23 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 2kh2 h PRO 23 CO 0.00 0.18 -1.05 0.66 -0.23 0.00 0.00 178.00 177.56 2kh2 n TYR 24 N -3.86 1.27 -3.94 1.56 4.01 -1.26 -5.07 117.16 109.86 2kh2 n TYR 24 Ca -0.02 -1.92 -0.14 0.00 -0.16 0.00 0.00 57.90 55.66 2kh2 n TYR 24 Cb 0.27 -0.24 -0.15 0.00 -0.31 0.00 0.00 39.34 38.92 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 -3.27 0.14 -0.04 -0.72 2.12 -1.20 -4.44 118.70 111.28 2kh2 s GLU 25 Ca 0.31 -0.02 0.06 0.00 0.36 0.00 0.00 54.97 55.68 2kh2 s GLU 25 Cb 0.34 -0.18 -0.01 0.00 0.26 0.00 0.00 34.13 34.54 2kh2 s GLU 25 CO -0.05 -0.00 -0.21 -0.51 -0.54 0.00 0.00 175.26 173.95 2kh2 s LEU 26 N 0.18 2.00 0.14 2.70 1.43 -1.26 -0.69 118.68 123.18 2kh2 s LEU 26 Ca -0.01 -0.41 0.07 0.00 -1.03 0.00 0.00 54.13 52.74 2kh2 s LEU 26 Cb -0.03 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 2kh2 s LEU 26 CO -0.01 0.22 -0.16 -0.54 0.23 0.00 0.00 176.35 176.09 2kh2 s LYS 27 N -0.21 1.12 -0.20 1.70 1.02 -0.16 -1.99 119.74 121.02 2kh2 s LYS 27 Ca 0.00 -1.30 -0.02 0.00 0.02 0.00 0.00 55.97 54.68 2kh2 s LYS 27 Cb -0.11 -1.08 0.00 0.00 -0.52 0.00 0.00 37.83 36.12 2kh2 s LYS 27 CO 0.02 0.22 -0.11 0.00 -0.92 0.00 0.00 175.35 174.56 2kh2 s ALA 28 N -2.05 2.62 0.21 5.17 0.00 0.10 -0.13 121.76 127.68 2kh2 s ALA 28 Ca 0.11 -1.16 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 2kh2 s ALA 28 Cb -0.05 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 2kh2 s ALA 28 CO 0.04 -0.34 0.29 -0.48 0.00 0.00 0.00 175.76 175.27 2kh2 s LEU 29 N 1.31 0.84 -0.16 0.00 0.05 -0.44 -3.06 118.68 117.23 2kh2 s LEU 29 Ca 0.04 -1.10 -0.29 0.00 0.05 0.00 0.00 54.13 52.83 2kh2 s LEU 29 Cb -0.14 1.06 -0.02 0.00 -2.05 0.00 0.00 46.19 45.04 2kh2 s LEU 29 CO -0.06 -0.96 1.38 -1.00 -0.55 0.00 0.00 176.35 175.16 2kh2 s HIS 30 N -4.06 2.59 -0.28 3.48 3.76 -1.26 0.45 115.29 119.96 2kh2 s HIS 30 Ca 0.27 0.78 0.02 0.00 -0.15 0.00 0.00 55.06 55.99 2kh2 s HIS 30 Cb 0.03 -3.67 0.08 0.00 1.11 0.00 0.00 32.58 30.13 2kh2 s HIS 30 CO 0.08 -2.25 -0.01 -1.17 -0.85 0.00 0.00 174.74 170.54 2kh2 s LEU 31 N 3.85 3.38 0.00 0.89 2.96 -1.26 -4.92 118.68 123.58 2kh2 s LEU 31 Ca 0.60 -1.60 0.00 0.00 -0.22 0.00 0.00 54.13 52.91 2kh2 s LEU 31 Cb -0.24 -1.34 0.00 0.00 0.50 0.00 0.00 46.19 45.11 2kh2 s LEU 31 CO 0.20 -0.30 0.00 0.00 -1.32 0.00 0.00 176.35 174.93 2kh2 n GLN 32 N 4.52 1.51 0.00 1.98 6.02 -1.26 -4.77 117.38 125.39 2kh2 n GLN 32 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 2kh2 n GLN 32 Cb 0.43 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.69 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 1.89 1.33 1.08 1.08 0.00 -1.26 -3.03 105.19 106.28 2kh2 n GLY 33 Ca 0.00 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.52 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 3.85 2.41 -0.53 1.61 -0.06 -1.26 -4.11 117.38 119.29 2kh2 n GLN 34 Ca 0.00 -2.19 0.10 0.00 -2.00 0.00 0.00 57.00 52.92 2kh2 n GLN 34 Cb 0.00 -1.49 0.35 0.00 -4.06 0.00 0.00 30.24 25.04 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 1.42 4.48 0.00 1.69 9.92 -1.18 -4.36 116.55 128.52 2kh2 n ASP 35 Ca 0.18 -2.28 0.05 0.00 -0.53 0.00 0.00 54.79 52.21 2kh2 n ASP 35 Cb 0.59 -0.55 0.23 0.00 -0.64 0.00 0.00 41.12 40.75 2kh2 n ASP 35 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 2kh2 n MET 36 N 1.34 0.01 0.00 -1.24 1.56 -1.17 -2.42 117.12 115.20 2kh2 n MET 36 Ca 0.26 0.31 0.12 0.00 -0.27 0.00 0.00 57.70 58.12 2kh2 n MET 36 Cb 0.80 -1.50 0.72 0.00 2.15 0.00 0.00 33.22 35.39 2kh2 n MET 36 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2kh2 n GLU 37 N -1.49 0.89 -0.11 2.12 1.02 -1.26 -2.93 120.64 118.88 2kh2 n GLU 37 Ca 0.03 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.26 2kh2 n GLU 37 Cb 0.12 -1.43 0.31 0.00 -0.02 0.00 0.00 31.44 30.43 2kh2 n GLU 37 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2kh2 n GLN 38 N -0.93 1.77 -2.18 3.49 6.02 -1.02 -4.92 117.38 119.61 2kh2 n GLN 38 Ca 0.18 -1.18 -0.36 0.00 -0.01 0.00 0.00 57.00 55.64 2kh2 n GLN 38 Cb 0.08 -1.37 0.01 0.00 1.02 0.00 0.00 30.24 29.99 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 -1.71 3.32 -0.07 -1.09 -2.07 -1.15 -4.76 119.66 112.13 2kh2 s GLN 39 Ca 0.30 1.71 -0.15 0.00 -1.82 0.00 0.00 55.36 55.40 2kh2 s GLN 39 Cb 0.16 -2.06 -0.05 0.00 -1.09 0.00 0.00 33.01 29.97 2kh2 s GLN 39 CO 0.24 -0.90 0.39 0.08 -1.32 0.00 0.00 175.29 173.78 2kh2 s VAL 40 N -1.67 5.15 -0.16 3.63 1.01 -0.84 -5.04 120.40 122.47 2kh2 s VAL 40 Ca 0.72 0.79 -0.07 0.00 0.00 0.00 0.00 61.98 63.43 2kh2 s VAL 40 Cb -0.27 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 2kh2 s VAL 40 CO 0.30 0.47 0.07 -0.69 0.00 0.00 0.00 175.10 175.25 2kh2 s VAL 41 N -0.26 4.90 -0.16 2.92 1.01 -1.26 -4.63 120.40 122.92 2kh2 s VAL 41 Ca 0.23 -0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 2kh2 s VAL 41 Cb -0.15 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2kh2 s VAL 41 CO 0.10 0.51 0.02 -0.36 0.00 0.00 0.00 175.10 175.37 2kh2 s PHE 42 N -0.06 3.16 -0.23 5.22 0.40 0.00 -1.60 117.98 124.86 2kh2 s PHE 42 Ca 0.07 -0.06 -0.26 0.00 -0.60 0.00 0.00 56.93 56.08 2kh2 s PHE 42 Cb -0.12 -2.01 -0.00 0.00 0.51 0.00 0.00 43.02 41.40 2kh2 s PHE 42 CO 0.01 0.11 0.87 -1.12 0.70 0.00 0.00 175.22 175.79 2kh2 s SER 43 N 0.25 6.90 -0.53 1.36 0.01 0.53 -1.81 113.70 120.42 2kh2 s SER 43 Ca 0.01 1.12 -0.17 0.00 1.31 0.00 0.00 55.95 58.23 2kh2 s SER 43 Cb -0.13 -2.46 0.10 0.00 0.21 0.00 0.00 66.02 63.74 2kh2 s SER 43 CO 0.01 -0.53 0.52 -0.32 0.41 0.00 0.00 173.24 173.33 2kh2 s MET 44 N 2.83 3.01 0.00 12.44 1.75 0.18 -2.46 119.30 137.05 2kh2 s MET 44 Ca 0.37 -1.48 -0.19 0.00 -1.25 0.00 0.00 55.69 53.15 2kh2 s MET 44 Cb -0.15 -4.23 -0.06 0.00 2.84 0.00 0.00 34.83 33.23 2kh2 s MET 44 CO 0.08 -1.27 0.53 -1.12 -0.65 0.00 0.00 175.02 172.58 2kh2 s SER 45 N 3.26 6.92 -0.61 1.11 0.01 -1.08 -1.07 113.70 122.23 2kh2 s SER 45 Ca 0.06 1.09 -0.24 0.00 1.31 0.00 0.00 55.95 58.17 2kh2 s SER 45 Cb -0.27 -2.33 0.05 0.00 0.21 0.00 0.00 66.02 63.69 2kh2 s SER 45 CO 0.05 0.18 0.98 -0.36 0.41 0.00 0.00 173.24 174.50 2kh2 s PHE 46 N -0.50 2.70 0.40 2.43 0.08 0.65 -1.12 117.98 122.62 2kh2 s PHE 46 Ca 0.28 -0.23 0.06 0.00 0.12 0.00 0.00 56.93 57.16 2kh2 s PHE 46 Cb -0.18 -4.20 0.00 0.00 -0.57 0.00 0.00 43.02 38.07 2kh2 s PHE 46 CO 0.16 -1.53 0.56 0.14 -0.10 0.00 0.00 175.22 174.45 2kh2 s VAL 47 N 4.14 3.49 -0.21 -0.44 -7.23 -1.09 -4.64 120.40 114.42 2kh2 s VAL 47 Ca 0.27 -0.91 -0.14 0.00 -1.81 0.00 0.00 61.98 59.39 2kh2 s VAL 47 Cb -0.14 -3.21 -0.04 0.00 0.56 0.00 0.00 36.38 33.55 2kh2 s VAL 47 CO 0.15 -0.10 0.33 -1.58 -0.31 0.00 0.00 175.10 173.59 2kh2 s GLN 48 N -4.35 4.15 0.00 4.82 2.00 -1.17 -4.73 119.66 120.38 2kh2 s GLN 48 Ca 0.51 0.07 0.00 0.00 -2.00 0.00 0.00 55.36 53.93 2kh2 s GLN 48 Cb -0.10 -3.53 0.00 0.00 0.80 0.00 0.00 33.01 30.18 2kh2 s GLN 48 CO 0.33 0.01 0.00 0.41 -0.50 0.00 0.00 175.29 175.54 2kh2 n GLY 49 N 3.98 -0.04 3.39 2.59 0.00 -1.26 -4.89 105.19 108.95 2kh2 n GLY 49 Ca -0.10 0.56 -0.45 0.00 0.00 0.00 0.00 46.02 46.03 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 2.88 3.22 -0.12 1.61 2.56 -1.26 -5.03 118.70 122.56 2kh2 s GLU 50 Ca 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 54.97 53.41 2kh2 s GLU 50 Cb 0.00 -4.40 -0.04 0.00 2.00 0.00 0.00 34.13 31.69 2kh2 s GLU 50 CO 0.00 -1.58 0.07 -2.00 -0.56 0.00 0.00 175.26 171.19 2kh2 s GLU 51 N 2.49 3.38 0.29 4.30 -6.30 -1.26 -3.65 118.70 117.94 2kh2 s GLU 51 Ca 0.17 -0.29 0.04 0.00 -2.50 0.00 0.00 54.97 52.40 2kh2 s GLU 51 Cb -0.18 -3.04 -0.03 0.00 0.00 0.00 0.00 34.13 30.88 2kh2 s GLU 51 CO 0.02 0.63 0.22 -1.12 0.02 0.00 0.00 175.26 175.04 2kh2 s SER 52 N -0.65 1.17 0.18 -1.70 0.01 0.48 -5.01 113.70 108.17 2kh2 s SER 52 Ca 0.12 -1.63 0.27 0.00 1.31 0.00 0.00 55.95 56.01 2kh2 s SER 52 Cb -0.12 0.49 0.88 0.00 0.21 0.00 0.00 66.02 67.48 2kh2 s SER 52 CO 0.02 -0.98 1.80 0.59 0.41 0.00 0.00 173.24 175.08 2kh2 n ASN 53 N -1.10 0.69 -1.14 2.44 5.03 -1.26 -3.53 115.26 116.39 2kh2 n ASN 53 Ca 0.05 0.56 0.04 0.00 0.87 0.00 0.00 54.58 56.11 2kh2 n ASN 53 Cb 0.64 -0.75 0.05 0.00 -1.02 0.00 0.00 39.78 38.70 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 2kh2 n ASP 54 N -2.14 1.00 -3.63 6.41 5.75 -1.26 -5.03 116.55 117.64 2kh2 n ASP 54 Ca 0.06 -2.34 -0.04 0.00 -0.01 0.00 0.00 54.79 52.46 2kh2 n ASP 54 Cb 0.42 -0.32 -0.06 0.00 -1.03 0.00 0.00 41.12 40.12 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 -0.62 0.62 -0.11 0.11 2.20 -1.23 -1.54 119.74 119.17 2kh2 s LYS 55 Ca 0.29 1.25 0.03 0.00 -0.36 0.00 0.00 55.97 57.18 2kh2 s LYS 55 Cb 0.32 0.43 0.01 0.00 -1.51 0.00 0.00 37.83 37.07 2kh2 s LYS 55 CO -0.12 -0.16 -0.21 0.42 -0.36 0.00 0.00 175.35 174.92 2kh2 s ILE 56 N 2.13 1.90 -0.42 5.43 -1.09 -0.14 -0.39 121.20 128.62 2kh2 s ILE 56 Ca -0.08 -0.91 -0.29 0.00 -2.23 0.00 0.00 60.65 57.14 2kh2 s ILE 56 Cb -0.08 -1.66 0.02 0.00 -1.58 0.00 0.00 42.46 39.17 2kh2 s ILE 56 CO -0.19 0.52 1.10 -2.16 -1.23 0.00 0.00 174.94 172.98 2kh2 s PRO 57 N 0.54 3.83 0.24 2.79 0.04 -1.24 -0.29 135.00 140.91 2kh2 s PRO 57 Ca -0.15 0.71 0.01 0.00 0.04 0.00 0.00 61.00 61.61 2kh2 s PRO 57 Cb -0.17 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.48 2kh2 s PRO 57 CO 0.05 -1.20 0.14 0.14 0.04 0.00 0.00 177.00 176.17 2kh2 s VAL 58 N 4.12 0.19 0.22 -0.36 -7.23 0.01 -2.67 120.40 114.67 2kh2 s VAL 58 Ca 0.46 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.73 2kh2 s VAL 58 Cb -0.09 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 2kh2 s VAL 58 CO 0.26 0.00 -0.08 0.00 -0.31 0.00 0.00 175.10 174.97 2kh2 s ALA 59 N -3.91 2.99 -0.24 1.32 0.00 -0.28 0.08 121.76 121.71 2kh2 s ALA 59 Ca 0.38 -1.59 -0.00 0.00 0.00 0.00 0.00 51.96 50.75 2kh2 s ALA 59 Cb 0.06 -0.68 0.07 0.00 0.00 0.00 0.00 23.12 22.57 2kh2 s ALA 59 CO 0.15 0.37 0.00 -0.51 0.00 0.00 0.00 175.76 175.77 2kh2 s LEU 60 N -3.20 2.27 0.19 0.00 1.43 -1.26 -2.65 118.68 115.46 2kh2 s LEU 60 Ca 0.28 -1.22 0.08 0.00 -1.03 0.00 0.00 54.13 52.24 2kh2 s LEU 60 Cb -0.07 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 2kh2 s LEU 60 CO 0.17 -0.30 -0.17 -0.83 0.23 0.00 0.00 176.35 175.45 2kh2 s GLY 61 N 1.53 1.44 0.08 -3.19 0.00 -1.03 -1.13 107.32 105.02 2kh2 s GLY 61 Ca -0.01 -1.58 -0.30 0.00 0.00 0.00 0.00 44.72 42.83 2kh2 s GLY 61 CO -0.10 -1.65 1.19 1.08 0.00 0.00 0.00 173.10 173.62 2kh2 s LEU 62 N -2.96 4.38 0.22 0.66 1.02 0.86 -0.34 118.68 122.52 2kh2 s LEU 62 Ca 0.19 2.03 -0.32 0.00 0.02 0.00 0.00 54.13 56.05 2kh2 s LEU 62 Cb -0.04 -3.58 -0.14 0.00 0.02 0.00 0.00 46.19 42.45 2kh2 s LEU 62 CO 0.07 -0.44 1.45 1.17 0.02 0.00 0.00 176.35 178.63 2kh2 n LYS 63 N 3.71 2.06 -1.96 1.70 4.81 -0.63 -1.68 118.16 126.17 2kh2 n LYS 63 Ca 0.08 0.74 -0.19 0.00 -0.87 0.00 0.00 58.31 58.07 2kh2 n LYS 63 Cb 0.46 -2.42 -0.05 0.00 0.02 0.00 0.00 35.03 33.04 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 2.39 -1.61 -4.29 1.64 -0.58 -1.26 -4.95 120.64 111.97 2kh2 n GLU 64 Ca 0.13 1.01 -0.17 0.00 -0.42 0.00 0.00 57.16 57.71 2kh2 n GLU 64 Cb 0.31 -5.50 -0.09 0.00 -0.57 0.00 0.00 31.44 25.58 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2kh2 s LYS 65 N -4.29 1.47 -0.22 3.49 1.02 -0.67 -5.04 119.74 115.50 2kh2 s LYS 65 Ca 0.00 -1.82 0.15 0.00 0.02 0.00 0.00 55.97 54.32 2kh2 s LYS 65 Cb 0.00 0.00 0.57 0.00 -0.52 0.00 0.00 37.83 37.88 2kh2 s LYS 65 CO 0.00 -0.42 1.49 0.27 -0.92 0.00 0.00 175.35 175.77 2kh2 n ASN 66 N -0.73 3.90 -4.60 2.83 6.94 -1.26 -4.68 115.26 117.66 2kh2 n ASN 66 Ca 0.02 -3.15 -0.38 0.00 -0.02 0.00 0.00 54.58 51.05 2kh2 n ASN 66 Cb 0.65 -0.59 -0.11 0.00 -2.36 0.00 0.00 39.78 37.37 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 -2.91 4.04 0.14 -4.53 1.43 -1.26 -1.54 118.68 114.05 2kh2 s LEU 67 Ca 0.45 0.03 0.09 0.00 -1.03 0.00 0.00 54.13 53.67 2kh2 s LEU 67 Cb 0.37 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2kh2 s LEU 67 CO 0.08 -0.04 -0.22 -0.31 0.23 0.00 0.00 176.35 176.10 2kh2 s TYR 68 N 1.66 2.00 -0.16 0.29 1.51 -0.62 -0.10 117.35 121.93 2kh2 s TYR 68 Ca 0.08 -0.41 -0.29 0.00 -1.01 0.00 0.00 57.07 55.43 2kh2 s TYR 68 Cb -0.16 -1.04 -0.01 0.00 -0.11 0.00 0.00 41.96 40.64 2kh2 s TYR 68 CO 0.10 0.33 1.21 -0.51 -1.11 0.00 0.00 175.55 175.57 2kh2 s LEU 69 N -2.31 4.18 -0.03 -1.29 1.43 -0.28 -0.74 118.68 119.64 2kh2 s LEU 69 Ca 0.13 1.65 0.07 0.00 -1.03 0.00 0.00 54.13 54.95 2kh2 s LEU 69 Cb -0.08 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 2kh2 s LEU 69 CO 0.06 -0.72 -0.24 -0.55 0.23 0.00 0.00 176.35 175.14 2kh2 s SER 70 N 1.77 3.21 -0.28 2.29 0.15 0.54 -4.52 113.70 116.85 2kh2 s SER 70 Ca 0.53 -0.43 -0.07 0.00 0.70 0.00 0.00 55.95 56.68 2kh2 s SER 70 Cb -0.21 -0.47 -0.00 0.00 -1.71 0.00 0.00 66.02 63.63 2kh2 s SER 70 CO 0.14 0.32 0.07 0.00 1.20 0.00 0.00 173.24 174.97 2kh2 s VAL 72 N 1.53 0.16 -0.29 0.00 -7.23 -0.55 -4.73 120.40 109.29 2kh2 s VAL 72 Ca 0.04 -1.98 -0.19 0.00 -1.81 0.00 0.00 61.98 58.04 2kh2 s VAL 72 Cb -0.16 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.37 2kh2 s VAL 72 CO 0.02 -0.14 0.58 -0.76 -0.31 0.00 0.00 175.10 174.50 2kh2 s LEU 73 N -3.16 4.13 -0.37 1.32 1.43 -1.26 -0.52 118.68 120.26 2kh2 s LEU 73 Ca 0.34 0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 53.86 2kh2 s LEU 73 Cb 0.07 -2.75 0.09 0.00 0.03 0.00 0.00 46.19 43.63 2kh2 s LEU 73 CO 0.09 -0.41 0.12 -0.54 0.23 0.00 0.00 176.35 175.84 2kh2 s LYS 74 N 2.49 2.02 -1.05 1.70 1.02 0.12 -4.74 119.74 121.30 2kh2 s LYS 74 Ca 0.23 -1.68 -0.08 0.00 0.02 0.00 0.00 55.97 54.46 2kh2 s LYS 74 Cb -0.15 -3.40 -0.06 0.00 -0.52 0.00 0.00 37.83 33.70 2kh2 s LYS 74 CO 0.11 -0.92 0.89 -3.47 -0.92 0.00 0.00 175.35 171.03 2kh2 n ASP 75 N 4.53 -6.50 0.00 2.83 4.64 -1.26 -2.37 116.55 118.43 2kh2 n ASP 75 Ca -0.04 -0.73 0.00 0.00 -1.38 0.00 0.00 54.79 52.64 2kh2 n ASP 75 Cb 0.42 -4.90 0.00 0.00 -1.04 0.00 0.00 41.12 35.60 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 -3.05 -5.13 -3.95 1.67 9.92 -1.26 -4.96 116.55 109.78 2kh2 n ASP 76 Ca -0.07 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 53.93 2kh2 n ASP 76 Cb 0.61 -2.92 -0.17 0.00 -0.64 0.00 0.00 41.12 38.01 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 -1.60 1.64 0.03 -1.24 2.47 -1.00 -5.11 119.74 114.93 2kh2 s LYS 77 Ca 0.00 -0.33 -0.30 0.00 -1.56 0.00 0.00 55.97 53.78 2kh2 s LYS 77 Cb 0.00 -1.55 -0.07 0.00 -1.46 0.00 0.00 37.83 34.75 2kh2 s LYS 77 CO 0.00 -0.16 1.54 -2.14 0.16 0.00 0.00 175.35 174.75 2kh2 s PRO 78 N 1.32 4.23 0.15 4.03 0.02 -1.26 0.10 135.00 143.60 2kh2 s PRO 78 Ca -0.02 2.16 -0.03 0.00 0.02 0.00 0.00 61.00 63.13 2kh2 s PRO 78 Cb -0.14 -3.61 -0.03 0.00 0.02 0.00 0.00 34.50 30.74 2kh2 s PRO 78 CO -0.04 -0.67 0.12 0.99 -0.33 0.00 0.00 177.00 177.07 2kh2 s THR 79 N 2.62 0.07 0.04 0.99 2.01 0.33 -4.73 115.64 116.97 2kh2 s THR 79 Ca 0.69 -1.83 0.01 0.00 0.31 0.00 0.00 61.69 60.87 2kh2 s THR 79 Cb -0.36 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 2kh2 s THR 79 CO 0.29 -0.34 0.12 -0.22 -0.69 0.00 0.00 174.62 173.79 2kh2 s LEU 80 N -3.06 4.03 0.23 4.42 2.96 -1.26 -1.48 118.68 124.52 2kh2 s LEU 80 Ca 0.26 0.14 -0.14 0.00 -0.22 0.00 0.00 54.13 54.17 2kh2 s LEU 80 Cb 0.06 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 44.20 2kh2 s LEU 80 CO 0.04 0.21 0.49 0.00 -1.32 0.00 0.00 176.35 175.77 2kh2 s GLN 81 N -2.19 1.49 -0.34 1.98 -2.07 0.20 -4.86 119.66 113.87 2kh2 s GLN 81 Ca 0.29 -1.12 -0.13 0.00 -1.82 0.00 0.00 55.36 52.57 2kh2 s GLN 81 Cb -0.12 0.49 -0.02 0.00 -1.09 0.00 0.00 33.01 32.27 2kh2 s GLN 81 CO 0.21 -0.62 0.27 -0.51 -1.32 0.00 0.00 175.29 173.32 2kh2 s LEU 82 N -2.97 4.52 -0.16 2.60 2.01 -1.26 -0.34 118.68 123.08 2kh2 s LEU 82 Ca 0.17 -0.39 -0.07 0.00 0.01 0.00 0.00 54.13 53.85 2kh2 s LEU 82 Cb -0.01 -2.18 -0.04 0.00 0.01 0.00 0.00 46.19 43.97 2kh2 s LEU 82 CO 0.05 -0.26 0.08 -1.61 1.01 0.00 0.00 176.35 175.61 2kh2 s GLU 83 N 1.79 3.77 -0.51 1.70 2.02 0.08 -4.91 118.70 122.64 2kh2 s GLU 83 Ca 0.07 -0.29 -0.22 0.00 0.02 0.00 0.00 54.97 54.55 2kh2 s GLU 83 Cb -0.17 -3.19 0.04 0.00 0.10 0.00 0.00 34.13 30.91 2kh2 s GLU 83 CO 0.11 0.44 0.80 -1.12 0.02 0.00 0.00 175.26 175.50 2kh2 s SER 84 N -0.08 6.32 0.30 -0.19 0.01 -1.26 -1.58 113.70 117.21 2kh2 s SER 84 Ca 0.08 -0.46 0.07 0.00 1.31 0.00 0.00 55.95 56.95 2kh2 s SER 84 Cb -0.12 -2.38 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 2kh2 s SER 84 CO 0.01 -1.04 0.27 0.68 0.41 0.00 0.00 173.24 173.57 2kh2 s VAL 85 N 3.37 3.94 -0.15 3.43 -7.23 -0.59 -5.04 120.40 118.13 2kh2 s VAL 85 Ca 0.25 -1.34 -0.33 0.00 -1.81 0.00 0.00 61.98 58.75 2kh2 s VAL 85 Cb -0.14 -3.30 -0.10 0.00 0.56 0.00 0.00 36.38 33.40 2kh2 s VAL 85 CO 0.18 -0.24 2.01 -0.67 -0.31 0.00 0.00 175.10 176.07 2kh2 n ASP 86 N -1.33 3.24 0.23 4.85 4.64 -1.26 -4.83 116.55 122.10 2kh2 n ASP 86 Ca -0.04 0.72 0.16 0.00 -1.38 0.00 0.00 54.79 54.26 2kh2 n ASP 86 Cb 0.59 -1.40 0.77 0.00 -1.04 0.00 0.00 41.12 40.04 2kh2 n ASP 86 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2kh2 h PRO 87 N 10.99 0.00 0.00 -0.67 0.13 -1.91 -1.66 132.00 138.88 2kh2 h PRO 87 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2kh2 h PRO 87 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2kh2 h PRO 87 CO 0.96 0.00 -1.42 0.36 -0.23 0.00 0.00 178.00 177.68 2kh2 n LYS 88 N -2.68 0.57 -0.07 0.86 2.85 -1.26 -4.31 118.16 114.11 2kh2 n LYS 88 Ca -0.01 -0.09 0.07 0.00 -1.05 0.00 0.00 58.31 57.23 2kh2 n LYS 88 Cb 0.15 -1.45 0.10 0.00 -0.65 0.00 0.00 35.03 33.18 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 -1.83 2.52 -4.02 -5.58 3.02 -0.91 -4.97 115.26 103.49 2kh2 n ASN 89 Ca 0.00 -1.73 -0.14 0.00 -0.03 0.00 0.00 54.58 52.68 2kh2 n ASN 89 Cb 0.41 -0.10 -0.13 0.00 -0.61 0.00 0.00 39.78 39.36 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 -1.12 0.60 0.94 3.10 1.51 -0.67 -4.46 117.35 117.24 2kh2 s TYR 90 Ca 0.21 -0.33 -0.14 0.00 -1.01 0.00 0.00 57.07 55.80 2kh2 s TYR 90 Cb 0.13 -0.37 0.20 0.00 -0.11 0.00 0.00 41.96 41.81 2kh2 s TYR 90 CO 0.19 -0.05 1.29 -1.25 -1.11 0.00 0.00 175.55 174.61 2kh2 s PRO 91 N -0.98 0.71 0.17 -1.71 0.04 -1.26 -4.76 135.00 127.20 2kh2 s PRO 91 Ca -0.05 -0.55 -0.08 0.00 0.04 0.00 0.00 61.00 60.36 2kh2 s PRO 91 Cb -0.07 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 2kh2 s PRO 91 CO 0.00 -2.33 0.27 -1.59 0.04 0.00 0.00 177.00 173.40 2kh2 s LYS 92 N -5.80 1.15 0.04 4.56 -2.85 -1.26 -5.07 119.74 110.51 2kh2 s LYS 92 Ca 0.74 -1.20 -0.24 0.00 -1.00 0.00 0.00 55.97 54.26 2kh2 s LYS 92 Cb -0.04 0.37 -0.17 0.00 -2.06 0.00 0.00 37.83 35.93 2kh2 s LYS 92 CO 0.52 -0.42 1.54 -0.22 0.10 0.00 0.00 175.35 176.87 2kh2 h LYS 93 N 2.56 -0.01 -3.85 1.78 1.63 -1.94 -3.36 116.57 113.37 2kh2 h LYS 93 Ca -0.32 0.00 -0.75 0.00 -0.85 0.00 0.00 60.65 58.73 2kh2 h LYS 93 Cb 1.23 0.00 -0.29 0.00 -0.60 0.00 0.00 32.23 32.57 2kh2 h LYS 93 CO 0.49 0.19 -0.11 0.21 -3.45 0.00 0.00 179.45 176.77 2kh2 s LYS 94 N -5.38 3.13 0.49 1.90 2.47 -1.26 -3.04 119.74 118.05 2kh2 s LYS 94 Ca -0.14 -2.32 -0.05 0.00 -1.56 0.00 0.00 55.97 51.90 2kh2 s LYS 94 Cb 0.04 -4.17 -0.03 0.00 -1.46 0.00 0.00 37.83 32.21 2kh2 s LYS 94 CO 0.66 -1.25 0.78 -1.64 0.16 0.00 0.00 175.35 174.06 2kh2 s MET 95 N 0.39 3.42 0.51 4.03 -1.94 -1.26 -5.03 119.30 119.42 2kh2 s MET 95 Ca 0.15 0.10 -0.23 0.00 -1.71 0.00 0.00 55.69 54.00 2kh2 s MET 95 Cb -0.17 -2.39 -0.06 0.00 2.01 0.00 0.00 34.83 34.22 2kh2 s MET 95 CO -0.05 -0.26 1.33 0.39 -0.01 0.00 0.00 175.02 176.42 2kh2 n GLU 96 N -2.27 1.77 0.23 2.03 4.71 -1.26 -4.83 120.64 121.02 2kh2 n GLU 96 Ca 0.01 0.64 0.16 0.00 -0.01 0.00 0.00 57.16 57.96 2kh2 n GLU 96 Cb 0.56 -2.52 0.84 0.00 -1.01 0.00 0.00 31.44 29.30 2kh2 n GLU 96 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 2kh2 h LYS 97 N 1.62 0.00 0.00 3.49 3.64 -1.96 0.15 116.57 123.51 2kh2 h LYS 97 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2kh2 h LYS 97 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2kh2 h LYS 97 CO 0.58 0.00 0.00 2.89 -2.27 0.00 0.00 179.45 180.65 2kh2 n ARG 98 N -3.89 0.12 -0.02 1.90 1.85 -1.26 -2.28 116.66 113.08 2kh2 n ARG 98 Ca -0.00 0.29 0.05 0.00 -1.00 0.00 0.00 57.85 57.20 2kh2 n ARG 98 Cb 0.24 -1.71 0.05 0.00 -1.05 0.00 0.00 32.46 29.99 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 -1.93 0.05 -3.48 2.89 3.72 0.50 -0.99 117.46 118.21 2kh2 n PHE 99 Ca 0.04 -0.05 -0.38 0.00 -0.05 0.00 0.00 57.45 57.00 2kh2 n PHE 99 Cb 0.25 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.70 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 -0.88 5.25 0.04 -4.37 1.01 -0.97 -4.21 120.40 116.27 2kh2 s VAL 100 Ca 0.13 0.47 0.05 0.00 0.00 0.00 0.00 61.98 62.64 2kh2 s VAL 100 Cb 0.09 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 2kh2 s VAL 100 CO 0.13 0.25 -0.11 -0.36 0.00 0.00 0.00 175.10 175.02 2kh2 s PHE 101 N 1.47 2.75 -0.48 5.22 0.40 0.11 -2.10 117.98 125.35 2kh2 s PHE 101 Ca 0.14 -0.14 -0.13 0.00 -0.60 0.00 0.00 56.93 56.20 2kh2 s PHE 101 Cb -0.15 -1.52 0.10 0.00 0.51 0.00 0.00 43.02 41.96 2kh2 s PHE 101 CO 0.08 0.35 0.38 -0.80 0.70 0.00 0.00 175.22 175.93 2kh2 s ASN 102 N -1.63 5.97 -0.58 1.36 0.02 0.22 -0.81 114.94 119.48 2kh2 s ASN 102 Ca 0.18 -1.59 -0.28 0.00 -1.02 0.00 0.00 52.86 50.15 2kh2 s ASN 102 Cb -0.11 -2.12 0.01 0.00 0.02 0.00 0.00 41.25 39.05 2kh2 s ASN 102 CO 0.09 -0.69 1.50 -0.75 0.02 0.00 0.00 177.10 177.27 2kh2 s LYS 103 N 1.54 3.17 -0.02 -0.60 2.20 0.60 -1.33 119.74 125.29 2kh2 s LYS 103 Ca 0.04 0.46 -0.26 0.00 -0.36 0.00 0.00 55.97 55.85 2kh2 s LYS 103 Cb -0.26 -4.18 -0.04 0.00 -1.51 0.00 0.00 37.83 31.84 2kh2 s LYS 103 CO 0.03 -2.10 0.80 0.42 -0.36 0.00 0.00 175.35 174.14 2kh2 s ILE 104 N 6.62 4.92 -0.56 5.43 1.01 0.10 -0.96 121.20 137.76 2kh2 s ILE 104 Ca 0.55 1.68 0.04 0.00 0.00 0.00 0.00 60.65 62.91 2kh2 s ILE 104 Cb -0.11 -4.14 0.15 0.00 0.01 0.00 0.00 42.46 38.36 2kh2 s ILE 104 CO 0.23 0.25 0.35 -1.61 0.00 0.00 0.00 174.94 174.17 2kh2 s GLU 105 N 0.67 1.89 0.03 2.79 2.02 -0.59 -0.94 118.70 124.58 2kh2 s GLU 105 Ca 0.42 -2.71 -0.26 0.00 0.02 0.00 0.00 54.97 52.44 2kh2 s GLU 105 Cb -0.19 -2.93 -0.17 0.00 0.10 0.00 0.00 34.13 30.94 2kh2 s GLU 105 CO 0.22 -1.22 1.38 -0.84 0.02 0.00 0.00 175.26 174.83 2kh2 h ILE 106 N 4.92 0.69 0.00 -1.63 3.07 -1.83 -3.46 117.51 119.27 2kh2 h ILE 106 Ca 0.06 -0.42 0.00 0.00 1.55 0.00 0.00 64.86 66.05 2kh2 h ILE 106 Cb 0.85 0.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.30 2kh2 h ILE 106 CO 0.62 0.08 0.00 -0.46 -1.05 0.00 0.00 178.15 177.34 2kh2 n ASN 107 N -5.19 0.00 -0.00 2.16 6.94 -1.26 -5.00 115.26 112.92 2kh2 n ASN 107 Ca -0.10 0.00 0.05 0.00 -0.02 0.00 0.00 54.58 54.51 2kh2 n ASN 107 Cb 0.25 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.61 2kh2 n ASN 107 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2kh2 n ASN 108 N -0.35 1.51 -4.64 0.53 6.94 -1.26 -4.96 115.26 113.02 2kh2 n ASN 108 Ca 0.00 -0.40 -0.35 0.00 -0.02 0.00 0.00 54.58 53.82 2kh2 n ASN 108 Cb 0.00 1.19 -0.10 0.00 -2.36 0.00 0.00 39.78 38.51 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2kh2 s LYS 109 N -2.22 3.16 0.05 -3.83 -0.14 -1.26 -4.84 119.74 110.65 2kh2 s LYS 109 Ca 0.00 -0.43 0.08 0.00 -1.36 0.00 0.00 55.97 54.27 2kh2 s LYS 109 Cb 0.07 -2.83 -0.03 0.00 -1.68 0.00 0.00 37.83 33.35 2kh2 s LYS 109 CO 0.38 0.59 -0.22 -0.48 -0.76 0.00 0.00 175.35 174.87 2kh2 s LEU 110 N -0.58 2.42 0.07 3.17 2.34 -0.42 -3.54 118.68 122.15 2kh2 s LEU 110 Ca 0.10 -0.51 0.08 0.00 0.06 0.00 0.00 54.13 53.85 2kh2 s LEU 110 Cb -0.12 -1.41 -0.04 0.00 -0.56 0.00 0.00 46.19 44.07 2kh2 s LEU 110 CO 0.02 0.25 -0.17 -1.61 -1.06 0.00 0.00 176.35 173.78 2kh2 s GLU 111 N -1.41 1.97 -0.48 1.48 2.02 -0.12 0.08 118.70 122.25 2kh2 s GLU 111 Ca 0.13 -1.05 -0.07 0.00 0.02 0.00 0.00 54.97 54.00 2kh2 s GLU 111 Cb -0.10 -2.17 0.12 0.00 0.10 0.00 0.00 34.13 32.08 2kh2 s GLU 111 CO 0.04 0.52 0.32 -0.06 0.02 0.00 0.00 175.26 176.10 2kh2 s PHE 112 N -1.02 3.49 0.28 1.61 0.08 -1.26 0.03 117.98 121.19 2kh2 s PHE 112 Ca 0.16 -2.13 -0.11 0.00 0.12 0.00 0.00 56.93 54.97 2kh2 s PHE 112 Cb -0.11 -3.40 -0.08 0.00 -0.57 0.00 0.00 43.02 38.87 2kh2 s PHE 112 CO 0.08 -0.97 0.63 -2.00 -0.10 0.00 0.00 175.22 172.85 2kh2 s GLU 113 N 1.12 3.85 -0.07 0.44 2.12 -0.44 -1.38 118.70 124.33 2kh2 s GLU 113 Ca 0.08 0.40 -0.21 0.00 0.36 0.00 0.00 54.97 55.60 2kh2 s GLU 113 Cb -0.24 -2.55 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 2kh2 s GLU 113 CO -0.02 0.22 0.60 0.45 -0.54 0.00 0.00 175.26 175.96 2kh2 s SER 114 N -2.48 6.87 0.26 -1.70 0.15 0.68 0.69 113.70 118.18 2kh2 s SER 114 Ca 0.50 1.04 0.06 0.00 0.70 0.00 0.00 55.95 58.25 2kh2 s SER 114 Cb -0.11 -2.36 0.34 0.00 -1.71 0.00 0.00 66.02 62.18 2kh2 s SER 114 CO 0.22 -0.03 1.61 0.00 1.20 0.00 0.00 173.24 176.24 2kh2 h ALA 115 N 6.54 0.96 -0.56 5.45 0.00 -1.65 -2.93 119.26 127.07 2kh2 h ALA 115 Ca -0.42 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 53.91 2kh2 h ALA 115 Cb 1.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2kh2 h ALA 115 CO 0.74 0.69 0.06 0.37 0.00 0.00 0.00 179.25 181.11 2kh2 h GLN 116 N 0.14 0.95 -3.53 0.00 5.75 -1.76 -3.39 115.11 113.27 2kh2 h GLN 116 Ca -0.00 -0.27 -0.60 0.00 -0.15 0.00 0.00 58.65 57.62 2kh2 h GLN 116 Cb 1.02 -0.10 -0.40 0.00 1.07 0.00 0.00 27.48 29.07 2kh2 h GLN 116 CO 0.08 0.93 -0.74 -0.06 -2.65 0.00 0.00 178.83 176.39 2kh2 s PHE 117 N -5.13 2.14 0.49 3.99 0.08 -1.11 -5.09 117.98 113.35 2kh2 s PHE 117 Ca -0.12 -2.19 -0.24 0.00 0.12 0.00 0.00 56.93 54.51 2kh2 s PHE 117 Cb 0.13 -1.98 -0.07 0.00 -0.57 0.00 0.00 43.02 40.53 2kh2 s PHE 117 CO 0.83 -0.85 1.36 -2.14 -0.10 0.00 0.00 175.22 174.31 2kh2 s PRO 118 N 1.05 3.47 0.00 0.24 0.02 -1.17 -2.38 135.00 136.24 2kh2 s PRO 118 Ca 0.13 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.39 2kh2 s PRO 118 Cb -0.20 -2.46 0.00 0.00 0.02 0.00 0.00 34.50 31.86 2kh2 s PRO 118 CO -0.14 -0.93 0.00 -1.71 -0.33 0.00 0.00 177.00 173.90 2kh2 n ASN 119 N -0.57 -0.21 -4.38 2.53 4.05 -1.26 -5.00 115.26 110.43 2kh2 n ASN 119 Ca 0.08 0.00 -0.36 0.00 0.45 0.00 0.00 54.58 54.75 2kh2 n ASN 119 Cb 0.44 -0.18 -0.13 0.00 1.23 0.00 0.00 39.78 41.13 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 2kh2 s TRP 120 N -3.70 3.03 0.28 1.20 0.52 -1.00 -4.46 118.94 114.81 2kh2 s TRP 120 Ca 0.00 -0.69 0.12 0.00 0.02 0.00 0.00 56.10 55.54 2kh2 s TRP 120 Cb 0.00 -2.18 -0.05 0.00 -1.15 0.00 0.00 33.47 30.09 2kh2 s TRP 120 CO 0.00 -0.46 -0.18 0.71 0.02 0.00 0.00 176.95 177.04 2kh2 s TYR 121 N 1.55 2.33 0.05 -1.98 1.51 0.77 -0.23 117.35 121.34 2kh2 s TYR 121 Ca 0.06 -0.32 -0.31 0.00 -1.01 0.00 0.00 57.07 55.49 2kh2 s TYR 121 Cb -0.15 -1.02 -0.08 0.00 -0.11 0.00 0.00 41.96 40.61 2kh2 s TYR 121 CO 0.00 0.71 1.60 0.42 -1.11 0.00 0.00 175.55 177.17 2kh2 s ILE 122 N -2.49 3.21 0.10 2.71 1.01 -0.48 -0.51 121.20 124.75 2kh2 s ILE 122 Ca 0.30 0.63 0.10 0.00 0.00 0.00 0.00 60.65 61.68 2kh2 s ILE 122 Cb -0.05 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 2kh2 s ILE 122 CO 0.15 -0.00 -0.24 -0.44 0.00 0.00 0.00 174.94 174.41 2kh2 s SER 123 N 2.32 2.97 0.10 3.58 0.01 0.80 -4.38 113.70 119.09 2kh2 s SER 123 Ca 0.72 -0.69 0.08 0.00 1.31 0.00 0.00 55.95 57.37 2kh2 s SER 123 Cb -0.38 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.62 2kh2 s SER 123 CO 0.31 0.15 -0.22 0.42 0.41 0.00 0.00 173.24 174.31 2kh2 s THR 124 N -1.03 1.76 0.44 1.44 -4.23 -0.39 -2.26 115.64 111.38 2kh2 s THR 124 Ca 0.11 -1.51 -0.05 0.00 -1.18 0.00 0.00 61.69 59.05 2kh2 s THR 124 Cb -0.10 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 72.11 2kh2 s THR 124 CO 0.05 -0.00 0.73 -0.44 -0.54 0.00 0.00 174.62 174.42 2kh2 s SER 125 N -1.81 6.32 0.25 3.99 0.01 -1.26 -0.38 113.70 120.82 2kh2 s SER 125 Ca 0.07 0.88 0.08 0.00 1.31 0.00 0.00 55.95 58.29 2kh2 s SER 125 Cb -0.10 -2.22 0.30 0.00 0.21 0.00 0.00 66.02 64.21 2kh2 s SER 125 CO 0.04 -0.48 1.58 1.56 0.41 0.00 0.00 173.24 176.35 2kh2 h GLN 126 N 0.58 0.10 -6.94 12.44 1.08 -1.95 -3.45 115.11 116.97 2kh2 h GLN 126 Ca -0.47 -0.07 -0.53 0.00 -1.45 0.00 0.00 58.65 56.12 2kh2 h GLN 126 Cb 1.20 0.01 0.09 0.00 -0.05 0.00 0.00 27.48 28.74 2kh2 h GLN 126 CO 0.62 0.69 0.69 0.00 -0.95 0.00 0.00 178.83 179.88 2kh2 s ALA 127 N -3.66 3.41 0.27 3.87 0.00 -1.26 -4.97 121.76 119.43 2kh2 s ALA 127 Ca -0.02 1.40 -0.29 0.00 0.00 0.00 0.00 51.96 53.04 2kh2 s ALA 127 Cb 0.12 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 2kh2 s ALA 127 CO 0.78 -0.93 1.11 -2.00 0.00 0.00 0.00 175.76 174.72 2kh2 s GLU 128 N -2.13 4.62 -0.69 0.00 2.56 -1.26 -3.61 118.70 118.19 2kh2 s GLU 128 Ca 0.54 1.82 -0.02 0.00 0.00 0.00 0.00 54.97 57.31 2kh2 s GLU 128 Cb -0.42 -3.19 0.00 0.00 2.00 0.00 0.00 34.13 32.52 2kh2 s GLU 128 CO 0.56 0.18 0.29 -1.71 -0.56 0.00 0.00 175.26 174.02 2kh2 n ASN 129 N 1.30 -3.61 -4.82 -1.70 5.15 -1.19 -5.04 115.26 105.35 2kh2 n ASN 129 Ca -0.01 -0.14 -0.34 0.00 -0.60 0.00 0.00 54.58 53.49 2kh2 n ASN 129 Cb 0.45 -2.49 -0.07 0.00 -0.53 0.00 0.00 39.78 37.14 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 -5.09 3.23 0.98 1.20 -1.94 -1.17 -4.87 119.30 111.65 2kh2 s MET 130 Ca 0.14 -0.34 -0.12 0.00 -1.71 0.00 0.00 55.69 53.66 2kh2 s MET 130 Cb -0.06 -2.99 0.18 0.00 2.01 0.00 0.00 34.83 33.96 2kh2 s MET 130 CO 0.18 0.70 1.09 -2.14 -0.01 0.00 0.00 175.02 174.84 2kh2 s PRO 131 N -1.44 0.55 -0.07 2.03 0.02 -1.26 0.00 135.00 134.83 2kh2 s PRO 131 Ca 0.20 0.60 -0.10 0.00 0.02 0.00 0.00 61.00 61.71 2kh2 s PRO 131 Cb -0.12 -1.74 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 2kh2 s PRO 131 CO 0.10 -2.67 0.25 0.08 -0.33 0.00 0.00 177.00 174.43 2kh2 s VAL 132 N -2.94 5.31 0.31 3.83 1.01 -0.84 -4.51 120.40 122.57 2kh2 s VAL 132 Ca 0.65 0.47 -0.00 0.00 0.00 0.00 0.00 61.98 63.10 2kh2 s VAL 132 Cb -0.19 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 2kh2 s VAL 132 CO 0.58 0.59 0.38 0.72 0.00 0.00 0.00 175.10 177.37 2kh2 s PHE 133 N -0.98 1.22 -0.23 5.22 -0.12 -0.96 -4.88 117.98 117.26 2kh2 s PHE 133 Ca 0.18 -1.37 -0.11 0.00 -0.05 0.00 0.00 56.93 55.59 2kh2 s PHE 133 Cb -0.14 -0.30 -0.05 0.00 -0.63 0.00 0.00 43.02 41.90 2kh2 s PHE 133 CO 0.08 -0.99 0.17 -1.17 -0.05 0.00 0.00 175.22 173.26 2kh2 s LEU 134 N -3.25 4.15 0.16 -1.99 2.96 -1.26 -0.14 118.68 119.31 2kh2 s LEU 134 Ca 0.34 0.18 0.08 0.00 -0.22 0.00 0.00 54.13 54.50 2kh2 s LEU 134 Cb 0.01 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 2kh2 s LEU 134 CO 0.20 0.09 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.33 2kh2 s GLY 135 N 0.86 1.32 -0.11 7.98 0.00 0.33 -4.82 107.32 112.88 2kh2 s GLY 135 Ca 0.09 -1.48 0.17 0.00 0.00 0.00 0.00 44.72 43.49 2kh2 s GLY 135 CO 0.03 -1.55 1.13 0.61 0.00 0.00 0.00 173.10 173.32 2kh2 n GLY 136 N 0.19 4.40 2.92 0.20 0.00 -1.26 -0.16 105.19 111.47 2kh2 n GLY 136 Ca -0.12 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 2kh2 n GLY 136 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kh2 n THR 137 N -1.27 2.19 -2.53 2.61 -1.04 -1.26 -4.91 114.28 108.06 2kh2 n THR 137 Ca 0.14 -5.00 -0.41 0.00 -2.04 0.00 0.00 64.05 56.74 2kh2 n THR 137 Cb 0.63 -2.24 -0.04 0.00 -1.82 0.00 0.00 70.33 66.86 2kh2 n THR 137 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kh2 s LYS 138 N -1.57 4.61 0.00 -2.82 2.20 -1.26 -3.08 119.74 117.82 2kh2 s LYS 138 Ca 0.27 1.70 0.00 0.00 -0.36 0.00 0.00 55.97 57.58 2kh2 s LYS 138 Cb -0.03 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 2kh2 s LYS 138 CO -0.14 0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 2kh2 n GLY 139 N 2.00 0.55 0.00 5.54 0.00 -1.26 -5.04 105.19 106.98 2kh2 n GLY 139 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.79 1.27 0.10 -0.02 0.00 -1.18 -5.02 105.19 97.55 2kh2 n GLY 140 Ca 0.00 -1.02 -0.19 0.00 0.00 0.00 0.00 46.02 44.82 2kh2 n GLY 140 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kh2 h GLN 141 N 0.00 0.12 -7.43 1.61 7.50 -1.96 -3.47 115.11 111.48 2kh2 h GLN 141 Ca 0.00 -0.21 -0.44 0.00 0.50 0.00 0.00 58.65 58.50 2kh2 h GLN 141 Cb 0.00 0.08 0.16 0.00 0.05 0.00 0.00 27.48 27.77 2kh2 h GLN 141 CO 0.00 1.10 0.21 -0.51 -1.50 0.00 0.00 178.83 178.13 2kh2 s ASP 142 N -6.71 2.28 -0.11 1.46 1.01 -1.26 -4.66 116.67 108.69 2kh2 s ASP 142 Ca -0.20 0.91 -0.02 0.00 0.71 0.00 0.00 52.55 53.95 2kh2 s ASP 142 Cb 0.01 -1.39 -0.03 0.00 1.01 0.00 0.00 42.92 42.52 2kh2 s ASP 142 CO 0.72 -3.31 -0.04 -0.63 0.21 0.00 0.00 175.17 172.12 2kh2 s ILE 143 N -3.10 3.94 -0.02 0.77 1.01 0.48 -4.71 121.20 119.58 2kh2 s ILE 143 Ca 0.67 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 61.01 2kh2 s ILE 143 Cb -0.14 -2.67 -0.08 0.00 0.01 0.00 0.00 42.46 39.58 2kh2 s ILE 143 CO 0.56 0.56 0.10 0.35 0.00 0.00 0.00 174.94 176.51 2kh2 n THR 144 N 2.74 0.06 -3.19 2.92 -2.24 -1.26 -1.26 114.28 112.06 2kh2 n THR 144 Ca -0.18 -0.14 -0.39 0.00 -2.27 0.00 0.00 64.05 61.07 2kh2 n THR 144 Cb 0.53 0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.84 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 -2.81 7.14 0.33 3.42 -4.77 -1.26 -4.26 116.67 114.46 2kh2 s ASP 145 Ca -0.02 1.37 0.05 0.00 -3.30 0.00 0.00 52.55 50.65 2kh2 s ASP 145 Cb 0.03 -2.40 -0.02 0.00 -1.09 0.00 0.00 42.92 39.44 2kh2 s ASP 145 CO 0.22 0.24 0.19 0.49 0.70 0.00 0.00 175.17 177.02 2kh2 n PHE 146 N 1.61 -0.31 -4.47 2.11 3.72 0.11 -3.93 117.46 116.29 2kh2 n PHE 146 Ca -0.09 -2.42 -0.25 0.00 -0.05 0.00 0.00 57.45 54.65 2kh2 n PHE 146 Cb 0.50 0.13 -0.10 0.00 -0.94 0.00 0.00 39.48 39.08 2kh2 n PHE 146 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2kh2 s THR 147 N -3.07 2.44 -0.51 4.37 -4.23 -0.72 -1.30 115.64 112.61 2kh2 s THR 147 Ca 0.27 -2.21 0.06 0.00 -1.18 0.00 0.00 61.69 58.64 2kh2 s THR 147 Cb 0.01 -2.59 0.36 0.00 1.34 0.00 0.00 72.50 71.63 2kh2 s THR 147 CO 0.19 -0.27 0.97 0.80 -0.54 0.00 0.00 174.62 175.77 2kh2 n MET 148 N -0.78 2.98 -1.67 3.99 1.56 -1.26 -4.07 117.12 117.87 2kh2 n MET 148 Ca -0.05 -4.57 -0.42 0.00 -0.27 0.00 0.00 57.70 52.40 2kh2 n MET 148 Cb 0.62 -2.15 -0.03 0.00 2.15 0.00 0.00 33.22 33.81 2kh2 n MET 148 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2kh2 s GLN 149 N -3.37 2.97 0.07 2.12 -0.21 -0.90 -4.77 119.66 115.56 2kh2 s GLN 149 Ca 0.47 1.79 -0.31 0.00 0.02 0.00 0.00 55.36 57.33 2kh2 s GLN 149 Cb 0.32 -4.38 -0.07 0.00 1.00 0.00 0.00 33.01 29.88 2kh2 s GLN 149 CO -0.14 -2.28 1.37 -0.06 -2.12 0.00 0.00 175.29 172.06 2kh2 s PHE 150 N 8.76 3.14 0.51 0.91 0.08 -1.26 -0.54 117.98 129.57 2kh2 s PHE 150 Ca 0.96 0.95 0.06 0.00 0.12 0.00 0.00 56.93 59.02 2kh2 s PHE 150 Cb -0.28 -3.64 0.02 0.00 -0.57 0.00 0.00 43.02 38.54 2kh2 s PHE 150 CO 0.33 -2.26 0.36 0.14 -0.10 0.00 0.00 175.22 173.68 2kh2 s VAL 151 N 1.53 1.86 -0.11 -0.44 -7.23 -1.14 -4.95 120.40 109.93 2kh2 s VAL 151 Ca 0.64 -1.51 -0.05 0.00 -1.81 0.00 0.00 61.98 59.24 2kh2 s VAL 151 Cb -0.34 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 2kh2 s VAL 151 CO 0.29 0.00 0.07 -0.44 -0.31 0.00 0.00 175.10 174.71 2kh2 s SER 152 N -4.20 5.81 0.00 4.85 0.01 -1.26 -4.86 113.70 114.06 2kh2 s SER 152 Ca 0.36 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2kh2 s SER 152 Cb -0.01 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.42 2kh2 s SER 152 CO 0.22 0.37 0.00 -1.20 0.41 0.00 0.00 173.24 173.04