#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 -5.21 0.00 0.11 -2.07 -3.42 132.00 121.41 2kh2 h PRO 2 Ca 0.00 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.49 2kh2 h PRO 2 Cb 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 30.97 2kh2 h PRO 2 CO 0.00 0.47 -0.20 0.54 -0.21 0.00 0.00 178.00 178.60 2kh2 s VAL 3 N -3.70 5.16 -0.08 3.15 0.11 -1.26 -5.06 120.40 118.72 2kh2 s VAL 3 Ca -0.01 0.63 -0.12 0.00 -2.93 0.00 0.00 61.98 59.55 2kh2 s VAL 3 Cb 0.12 -3.72 -0.05 0.00 -1.53 0.00 0.00 36.38 31.20 2kh2 s VAL 3 CO 0.72 0.16 0.29 -0.13 -3.33 0.00 0.00 175.10 172.81 2kh2 s ARG 4 N 2.02 3.82 -0.08 1.54 0.52 -1.26 -5.05 118.95 120.47 2kh2 s ARG 4 Ca 0.16 0.16 -0.18 0.00 -0.52 0.00 0.00 55.73 55.35 2kh2 s ARG 4 Cb -0.16 -3.25 0.04 0.00 0.52 0.00 0.00 34.95 32.10 2kh2 s ARG 4 CO 0.10 0.63 0.43 -1.12 0.02 0.00 0.00 175.30 175.35 2kh2 s SER 5 N -0.73 -0.38 0.19 0.23 0.01 -1.26 -2.65 113.70 109.10 2kh2 s SER 5 Ca 0.19 0.51 0.03 0.00 1.31 0.00 0.00 55.95 58.00 2kh2 s SER 5 Cb -0.14 0.59 -0.05 0.00 0.21 0.00 0.00 66.02 66.63 2kh2 s SER 5 CO 0.08 -0.36 -0.03 -1.48 0.41 0.00 0.00 173.24 171.86 2kh2 s LEU 6 N -0.70 2.27 -0.13 2.44 0.05 -0.76 -4.94 118.68 116.92 2kh2 s LEU 6 Ca -0.08 -1.14 -0.02 0.00 0.05 0.00 0.00 54.13 52.94 2kh2 s LEU 6 Cb -0.04 -0.23 -0.03 0.00 -2.05 0.00 0.00 46.19 43.85 2kh2 s LEU 6 CO 0.04 -0.47 -0.05 0.20 -0.55 0.00 0.00 176.35 175.52 2kh2 s ASN 7 N -3.22 4.75 0.09 1.48 0.01 -1.26 0.21 114.94 117.00 2kh2 s ASN 7 Ca 0.23 -0.09 -0.01 0.00 -0.71 0.00 0.00 52.86 52.28 2kh2 s ASN 7 Cb 0.05 -1.60 -0.04 0.00 0.41 0.00 0.00 41.25 40.07 2kh2 s ASN 7 CO 0.05 0.23 0.01 0.00 -1.51 0.00 0.00 177.10 175.88 2kh2 s THR 9 N -3.95 2.57 -0.28 0.00 -4.23 -0.65 -0.85 115.64 108.24 2kh2 s THR 9 Ca 0.15 -0.82 -0.16 0.00 -1.18 0.00 0.00 61.69 59.68 2kh2 s THR 9 Cb 0.08 -2.05 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 2kh2 s THR 9 CO -0.04 0.53 0.41 -0.76 -0.54 0.00 0.00 174.62 174.22 2kh2 s LEU 10 N 0.54 4.11 -0.09 4.79 1.43 -1.26 -3.26 118.68 124.93 2kh2 s LEU 10 Ca -0.11 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 2kh2 s LEU 10 Cb -0.16 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.60 2kh2 s LEU 10 CO 0.04 -0.25 -0.14 -0.13 0.23 0.00 0.00 176.35 176.11 2kh2 s ARG 11 N 2.14 1.98 0.92 1.70 0.52 -1.26 -3.55 118.95 121.40 2kh2 s ARG 11 Ca 0.16 -0.48 -0.15 0.00 -0.52 0.00 0.00 55.73 54.74 2kh2 s ARG 11 Cb -0.16 -1.70 0.21 0.00 0.52 0.00 0.00 34.95 33.83 2kh2 s ARG 11 CO 0.10 -0.05 1.25 -0.40 0.02 0.00 0.00 175.30 176.23 2kh2 n ASP 12 N 4.12 0.16 0.01 0.23 5.68 -0.48 -1.83 116.55 124.45 2kh2 n ASP 12 Ca -0.20 -1.49 0.07 0.00 -0.50 0.00 0.00 54.79 52.67 2kh2 n ASP 12 Cb 0.51 -0.95 0.30 0.00 -1.14 0.00 0.00 41.12 39.84 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 -3.77 0.07 -1.44 -1.12 7.64 -1.26 -1.99 113.62 111.75 2kh2 n SER 13 Ca 0.16 0.52 0.09 0.00 1.01 0.00 0.00 58.87 60.65 2kh2 n SER 13 Cb 0.55 -0.53 0.33 0.00 -1.01 0.00 0.00 64.21 63.55 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 -1.58 3.53 -2.21 1.43 1.13 -1.26 -4.93 117.38 113.49 2kh2 n GLN 14 Ca 0.03 -2.80 -0.14 0.00 -1.94 0.00 0.00 57.00 52.15 2kh2 n GLN 14 Cb 0.16 -1.81 -0.01 0.00 0.11 0.00 0.00 30.24 28.69 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 1.02 -1.13 -3.96 -1.09 1.13 -0.84 -4.91 117.38 107.61 2kh2 n GLN 15 Ca 0.24 0.71 -0.34 0.00 -1.94 0.00 0.00 57.00 55.67 2kh2 n GLN 15 Cb 0.83 -4.99 -0.06 0.00 0.11 0.00 0.00 30.24 26.13 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 -4.60 3.34 0.27 -1.09 1.02 -1.26 -2.68 119.74 114.75 2kh2 s LYS 16 Ca 0.00 -0.30 0.11 0.00 0.02 0.00 0.00 55.97 55.80 2kh2 s LYS 16 Cb 0.00 -3.06 -0.05 0.00 -0.52 0.00 0.00 37.83 34.20 2kh2 s LYS 16 CO 0.00 0.70 -0.15 -1.12 -0.92 0.00 0.00 175.35 173.86 2kh2 s SER 17 N -1.59 3.84 -0.14 2.83 0.01 0.71 -1.38 113.70 117.99 2kh2 s SER 17 Ca 0.22 -0.92 -0.18 0.00 1.31 0.00 0.00 55.95 56.39 2kh2 s SER 17 Cb -0.12 -0.44 -0.04 0.00 0.21 0.00 0.00 66.02 65.62 2kh2 s SER 17 CO 0.13 0.04 0.46 -0.76 0.41 0.00 0.00 173.24 173.52 2kh2 s LEU 18 N -3.50 4.25 0.01 2.44 1.43 -1.23 -1.82 118.68 120.26 2kh2 s LEU 18 Ca 0.30 0.76 0.05 0.00 -1.03 0.00 0.00 54.13 54.20 2kh2 s LEU 18 Cb -0.06 -2.66 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 2kh2 s LEU 18 CO 0.16 -0.02 -0.14 0.68 0.23 0.00 0.00 176.35 177.26 2kh2 s VAL 19 N 0.76 1.13 -0.08 -1.59 -7.23 0.59 -3.50 120.40 110.48 2kh2 s VAL 19 Ca 0.25 -0.77 -0.30 0.00 -1.81 0.00 0.00 61.98 59.35 2kh2 s VAL 19 Cb -0.15 -0.97 -0.03 0.00 0.56 0.00 0.00 36.38 35.79 2kh2 s VAL 19 CO 0.10 0.19 1.24 -0.04 -0.31 0.00 0.00 175.10 176.28 2kh2 s MET 20 N -0.66 4.31 -0.01 4.82 -1.94 -1.26 -0.15 119.30 124.41 2kh2 s MET 20 Ca 0.04 1.70 -0.00 0.00 -1.71 0.00 0.00 55.69 55.72 2kh2 s MET 20 Cb -0.06 -3.62 -0.00 0.00 2.01 0.00 0.00 34.83 33.15 2kh2 s MET 20 CO 0.00 -0.54 -0.01 0.45 -0.01 0.00 0.00 175.02 174.92 2kh2 n SER 21 N 5.64 0.07 0.00 3.03 2.88 0.44 -4.91 113.62 120.77 2kh2 n SER 21 Ca 0.12 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 2kh2 n SER 21 Cb 0.46 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 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 1.71 4.25 0.23 0.46 0.00 -1.21 -4.97 105.19 105.66 2kh2 n GLY 22 Ca -0.00 -2.04 -0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 0.31 -0.61 1.61 0.13 -2.04 -3.31 132.00 128.10 2kh2 h PRO 23 Ca 0.00 -0.10 -0.32 0.00 -0.87 0.00 0.00 66.00 64.71 2kh2 h PRO 23 Cb 0.00 -0.03 -0.41 0.00 0.13 0.00 0.00 31.00 30.70 2kh2 h PRO 23 CO 0.00 0.54 -1.08 0.66 -0.23 0.00 0.00 178.00 177.89 2kh2 n TYR 24 N -4.16 1.54 -3.87 1.56 4.01 -1.26 -5.03 117.16 109.95 2kh2 n TYR 24 Ca -0.01 -2.29 -0.12 0.00 -0.16 0.00 0.00 57.90 55.32 2kh2 n TYR 24 Cb 0.36 -0.26 -0.14 0.00 -0.31 0.00 0.00 39.34 38.99 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 -3.66 0.03 -0.03 -0.72 2.12 -1.25 -4.37 118.70 110.83 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 0.36 0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.75 2kh2 s GLU 25 CO -0.02 -0.00 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.99 2kh2 s LEU 26 N -0.07 2.00 0.27 2.70 1.43 -1.26 -0.42 118.68 123.33 2kh2 s LEU 26 Ca -0.01 -0.39 0.12 0.00 -1.03 0.00 0.00 54.13 52.82 2kh2 s LEU 26 Cb -0.01 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 2kh2 s LEU 26 CO -0.00 0.21 -0.20 -0.54 0.23 0.00 0.00 176.35 176.05 2kh2 s LYS 27 N -0.24 1.66 -0.12 1.70 1.02 0.79 -2.23 119.74 122.32 2kh2 s LYS 27 Ca 0.02 -1.75 0.03 0.00 0.02 0.00 0.00 55.97 54.29 2kh2 s LYS 27 Cb -0.10 -1.76 0.01 0.00 -0.52 0.00 0.00 37.83 35.45 2kh2 s LYS 27 CO 0.01 0.33 -0.23 0.00 -0.92 0.00 0.00 175.35 174.54 2kh2 s ALA 28 N -2.47 2.20 0.09 5.17 0.00 0.09 -0.30 121.76 126.54 2kh2 s ALA 28 Ca 0.29 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.12 2kh2 s ALA 28 Cb -0.05 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.18 2kh2 s ALA 28 CO 0.15 0.12 0.25 -0.48 0.00 0.00 0.00 175.76 175.80 2kh2 s LEU 29 N 0.59 1.12 0.21 0.00 0.05 -0.75 -1.84 118.68 118.06 2kh2 s LEU 29 Ca -0.13 -0.53 -0.31 0.00 0.05 0.00 0.00 54.13 53.22 2kh2 s LEU 29 Cb -0.17 1.27 -0.10 0.00 -2.05 0.00 0.00 46.19 45.14 2kh2 s LEU 29 CO 0.03 -0.75 1.54 -1.00 -0.55 0.00 0.00 176.35 175.63 2kh2 s HIS 30 N -3.73 2.99 -0.46 3.48 3.76 -1.26 -0.21 115.29 119.87 2kh2 s HIS 30 Ca 0.04 0.75 -0.12 0.00 -0.15 0.00 0.00 55.06 55.57 2kh2 s HIS 30 Cb 0.04 -3.93 0.09 0.00 1.11 0.00 0.00 32.58 29.88 2kh2 s HIS 30 CO -0.11 -3.29 0.35 -1.17 -0.85 0.00 0.00 174.74 169.68 2kh2 s LEU 31 N 0.46 5.52 0.30 0.89 2.96 -1.09 -4.87 118.68 122.85 2kh2 s LEU 31 Ca 0.66 -1.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.08 2kh2 s LEU 31 Cb -0.44 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 2kh2 s LEU 31 CO 0.37 -0.64 0.17 -1.10 -1.32 0.00 0.00 176.35 173.83 2kh2 s GLN 32 N 1.52 1.60 2.40 1.98 -0.21 -1.26 -4.97 119.66 120.72 2kh2 s GLN 32 Ca 0.04 -1.92 0.00 0.00 0.02 0.00 0.00 55.36 53.50 2kh2 s GLN 32 Cb -0.25 -0.05 0.00 0.00 1.00 0.00 0.00 33.01 33.72 2kh2 s GLN 32 CO 0.03 -0.47 0.00 0.41 -2.12 0.00 0.00 175.29 173.14 2kh2 n GLY 33 N -0.58 -0.78 0.29 3.09 0.00 -1.26 -3.89 105.19 102.06 2kh2 n GLY 33 Ca 0.02 -1.16 0.13 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 0.91 -0.26 1.61 -0.06 -1.26 -3.95 117.38 114.38 2kh2 n GLN 34 Ca 0.00 -0.58 0.00 0.00 -2.00 0.00 0.00 57.00 54.43 2kh2 n GLN 34 Cb 0.00 -1.49 0.10 0.00 -4.06 0.00 0.00 30.24 24.79 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 -0.54 2.45 0.26 1.69 9.92 -1.25 -4.15 116.55 124.92 2kh2 n ASP 35 Ca 0.12 -2.28 0.10 0.00 -0.53 0.00 0.00 54.79 52.19 2kh2 n ASP 35 Cb 0.37 -0.56 0.67 0.00 -0.64 0.00 0.00 41.12 40.96 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 0.90 0.00 -0.97 -1.24 4.05 -1.73 -2.26 114.93 113.67 2kh2 h MET 36 Ca 0.03 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2kh2 h MET 36 Cb 1.02 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.81 2kh2 h MET 36 CO 0.16 0.08 0.01 0.39 0.23 0.00 0.00 176.91 177.78 2kh2 n GLU 37 N -4.17 1.31 -0.16 0.39 -0.58 -1.26 -3.18 120.64 113.00 2kh2 n GLU 37 Ca -0.03 -0.27 0.12 0.00 -0.42 0.00 0.00 57.16 56.57 2kh2 n GLU 37 Cb 0.16 -1.52 0.22 0.00 -0.57 0.00 0.00 31.44 29.73 2kh2 n GLU 37 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2kh2 n GLN 38 N 0.08 2.44 -1.33 3.49 7.27 -0.85 -4.97 117.38 123.51 2kh2 n GLN 38 Ca 0.03 -2.16 -0.31 0.00 0.07 0.00 0.00 57.00 54.63 2kh2 n GLN 38 Cb 0.36 -1.50 0.10 0.00 2.41 0.00 0.00 30.24 31.60 2kh2 n GLN 38 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 2kh2 s GLN 39 N -1.58 2.07 -0.03 3.69 -2.07 -1.19 -4.96 119.66 115.59 2kh2 s GLN 39 Ca 0.37 0.97 -0.01 0.00 -1.82 0.00 0.00 55.36 54.88 2kh2 s GLN 39 Cb 0.22 -1.89 -0.04 0.00 -1.09 0.00 0.00 33.01 30.22 2kh2 s GLN 39 CO 0.31 -1.72 0.04 0.08 -1.32 0.00 0.00 175.29 172.69 2kh2 s VAL 40 N -2.97 4.52 -0.18 3.63 1.01 -1.23 -5.08 120.40 120.10 2kh2 s VAL 40 Ca 0.61 -0.38 -0.05 0.00 0.00 0.00 0.00 61.98 62.16 2kh2 s VAL 40 Cb -0.16 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2kh2 s VAL 40 CO 0.56 0.44 0.01 0.68 0.00 0.00 0.00 175.10 176.79 2kh2 s VAL 41 N -1.07 4.21 -0.15 2.92 -7.23 -1.26 -4.63 120.40 113.19 2kh2 s VAL 41 Ca 0.19 -0.24 -0.05 0.00 -1.81 0.00 0.00 61.98 60.07 2kh2 s VAL 41 Cb -0.12 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 33.90 2kh2 s VAL 41 CO 0.09 0.46 0.03 -0.36 -0.31 0.00 0.00 175.10 175.00 2kh2 s PHE 42 N 0.61 3.19 -0.15 2.82 0.08 -0.03 -3.43 117.98 121.07 2kh2 s PHE 42 Ca 0.00 0.03 -0.22 0.00 0.12 0.00 0.00 56.93 56.86 2kh2 s PHE 42 Cb -0.14 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.31 2kh2 s PHE 42 CO 0.02 0.21 0.67 -1.12 -0.10 0.00 0.00 175.22 174.90 2kh2 s SER 43 N -0.01 6.81 -0.37 1.36 0.01 0.08 -0.92 113.70 120.66 2kh2 s SER 43 Ca 0.04 0.98 -0.11 0.00 1.31 0.00 0.00 55.95 58.18 2kh2 s SER 43 Cb -0.13 -2.38 0.03 0.00 0.21 0.00 0.00 66.02 63.76 2kh2 s SER 43 CO 0.02 -0.23 0.20 -0.32 0.41 0.00 0.00 173.24 173.32 2kh2 s MET 44 N 1.54 2.80 0.03 12.44 1.75 0.13 -1.92 119.30 136.08 2kh2 s MET 44 Ca 0.32 -1.09 -0.03 0.00 -1.25 0.00 0.00 55.69 53.64 2kh2 s MET 44 Cb -0.16 -3.71 -0.04 0.00 2.84 0.00 0.00 34.83 33.75 2kh2 s MET 44 CO 0.13 -0.70 0.24 -1.12 -0.65 0.00 0.00 175.02 172.92 2kh2 s SER 45 N 1.54 6.42 -0.31 1.11 0.01 -0.73 -1.82 113.70 119.92 2kh2 s SER 45 Ca 0.02 0.42 -0.19 0.00 1.31 0.00 0.00 55.95 57.50 2kh2 s SER 45 Cb -0.19 -2.03 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 2kh2 s SER 45 CO 0.06 0.21 0.58 -0.36 0.41 0.00 0.00 173.24 174.14 2kh2 s PHE 46 N -1.40 3.21 0.33 2.43 0.08 -1.08 -0.54 117.98 121.01 2kh2 s PHE 46 Ca 0.31 0.48 0.08 0.00 0.12 0.00 0.00 56.93 57.91 2kh2 s PHE 46 Cb -0.13 -2.93 -0.03 0.00 -0.57 0.00 0.00 43.02 39.36 2kh2 s PHE 46 CO 0.21 -0.46 0.24 0.14 -0.10 0.00 0.00 175.22 175.25 2kh2 s VAL 47 N 2.50 3.39 -0.61 -0.44 -7.23 -0.90 -4.82 120.40 112.28 2kh2 s VAL 47 Ca 0.23 -1.48 -0.23 0.00 -1.81 0.00 0.00 61.98 58.68 2kh2 s VAL 47 Cb -0.15 -3.12 0.06 0.00 0.56 0.00 0.00 36.38 33.73 2kh2 s VAL 47 CO 0.12 -0.18 0.96 -1.58 -0.31 0.00 0.00 175.10 174.11 2kh2 s GLN 48 N -3.94 3.21 0.00 4.82 2.00 -0.90 -4.68 119.66 120.16 2kh2 s GLN 48 Ca 0.40 -0.56 0.00 0.00 -2.00 0.00 0.00 55.36 53.19 2kh2 s GLN 48 Cb -0.05 -4.15 0.00 0.00 0.80 0.00 0.00 33.01 29.61 2kh2 s GLN 48 CO 0.25 -1.68 0.00 0.41 -0.50 0.00 0.00 175.29 173.77 2kh2 n GLY 49 N 5.24 4.16 3.55 2.59 0.00 -1.26 -4.94 105.19 114.53 2kh2 n GLY 49 Ca -0.01 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 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 3.94 2.88 0.03 1.61 2.56 -1.26 -4.91 118.70 123.55 2kh2 s GLU 50 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.97 54.91 2kh2 s GLU 50 Cb 0.00 -4.59 -0.05 0.00 2.00 0.00 0.00 34.13 31.50 2kh2 s GLU 50 CO 0.00 -2.64 0.28 -2.00 -0.56 0.00 0.00 175.26 170.34 2kh2 s GLU 51 N 6.44 3.58 0.00 4.30 2.12 -1.26 -3.71 118.70 130.17 2kh2 s GLU 51 Ca 0.57 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.80 2kh2 s GLU 51 Cb -0.09 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.26 2kh2 s GLU 51 CO 0.11 0.62 0.00 -1.13 -0.54 0.00 0.00 175.26 174.32 2kh2 n SER 52 N 0.91 0.00 0.03 -1.70 3.41 -0.88 -5.00 113.62 110.39 2kh2 n SER 52 Ca -0.09 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.63 2kh2 n SER 52 Cb 0.52 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.65 2kh2 n SER 52 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2kh2 n ASN 53 N 0.00 0.61 0.00 4.04 5.03 -1.26 -4.64 115.26 119.04 2kh2 n ASN 53 Ca 0.00 -0.07 0.00 0.00 0.87 0.00 0.00 54.58 55.38 2kh2 n ASN 53 Cb 0.00 0.31 0.00 0.00 -1.02 0.00 0.00 39.78 39.07 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 -1.86 0.00 -4.54 6.41 5.75 -1.26 -5.04 116.55 116.01 2kh2 n ASP 54 Ca 0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.39 2kh2 n ASP 54 Cb 0.40 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.46 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2kh2 s LYS 55 N -1.00 3.37 -0.12 0.11 1.02 -1.25 -3.82 119.74 118.05 2kh2 s LYS 55 Ca 0.00 -0.10 0.01 0.00 0.02 0.00 0.00 55.97 55.90 2kh2 s LYS 55 Cb 0.00 -4.07 -0.01 0.00 -0.52 0.00 0.00 37.83 33.23 2kh2 s LYS 55 CO 0.00 -1.67 -0.16 0.42 -0.92 0.00 0.00 175.35 173.02 2kh2 s ILE 56 N 4.57 2.82 -0.35 2.17 -1.09 -0.87 -2.07 121.20 126.38 2kh2 s ILE 56 Ca 0.35 -0.75 -0.29 0.00 -2.23 0.00 0.00 60.65 57.73 2kh2 s ILE 56 Cb -0.10 -2.16 0.01 0.00 -1.58 0.00 0.00 42.46 38.63 2kh2 s ILE 56 CO 0.20 0.54 1.31 -2.16 -1.23 0.00 0.00 174.94 173.60 2kh2 s PRO 57 N 0.30 3.80 0.17 2.79 0.04 -1.24 -1.06 135.00 139.79 2kh2 s PRO 57 Ca -0.12 1.10 0.04 0.00 0.04 0.00 0.00 61.00 62.06 2kh2 s PRO 57 Cb -0.16 -3.92 -0.05 0.00 0.04 0.00 0.00 34.50 30.41 2kh2 s PRO 57 CO 0.06 -1.27 -0.08 0.14 0.04 0.00 0.00 177.00 175.89 2kh2 s VAL 58 N 4.67 1.18 0.13 -0.36 -7.23 0.39 -2.12 120.40 117.06 2kh2 s VAL 58 Ca 0.57 -2.07 0.07 0.00 -1.81 0.00 0.00 61.98 58.74 2kh2 s VAL 58 Cb -0.15 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 2kh2 s VAL 58 CO 0.26 -0.65 -0.03 0.00 -0.31 0.00 0.00 175.10 174.38 2kh2 s ALA 59 N -3.32 3.17 -0.24 1.32 0.00 0.30 -0.26 121.76 122.73 2kh2 s ALA 59 Ca 0.19 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2kh2 s ALA 59 Cb 0.03 -1.03 0.06 0.00 0.00 0.00 0.00 23.12 22.19 2kh2 s ALA 59 CO 0.03 0.59 -0.03 -0.51 0.00 0.00 0.00 175.76 175.83 2kh2 s LEU 60 N -2.58 2.44 0.38 0.00 1.43 -1.26 -1.77 118.68 117.32 2kh2 s LEU 60 Ca 0.25 -1.19 0.04 0.00 -1.03 0.00 0.00 54.13 52.20 2kh2 s LEU 60 Cb -0.10 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 2kh2 s LEU 60 CO 0.17 -0.26 0.08 -0.83 0.23 0.00 0.00 176.35 175.74 2kh2 s GLY 61 N 1.45 2.40 0.12 -3.19 0.00 -0.81 -1.26 107.32 106.04 2kh2 s GLY 61 Ca -0.04 -1.57 -0.14 0.00 0.00 0.00 0.00 44.72 42.98 2kh2 s GLY 61 CO -0.08 -1.87 0.51 1.08 0.00 0.00 0.00 173.10 172.75 2kh2 s LEU 62 N -3.58 4.36 -0.05 0.66 1.02 -0.37 -0.74 118.68 119.97 2kh2 s LEU 62 Ca 0.28 1.02 -0.34 0.00 0.02 0.00 0.00 54.13 55.11 2kh2 s LEU 62 Cb 0.06 -3.16 -0.12 0.00 0.02 0.00 0.00 46.19 42.99 2kh2 s LEU 62 CO 0.14 0.14 1.86 1.17 0.02 0.00 0.00 176.35 179.68 2kh2 n LYS 63 N 0.91 2.26 -3.14 1.70 4.81 -1.22 -2.01 118.16 121.47 2kh2 n LYS 63 Ca -0.06 0.83 -0.20 0.00 -0.87 0.00 0.00 58.31 58.01 2kh2 n LYS 63 Cb 0.52 -2.68 -0.01 0.00 0.02 0.00 0.00 35.03 32.89 2kh2 n LYS 63 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2kh2 n GLU 64 N 6.42 -3.02 -4.14 1.64 0.00 -1.26 -4.95 120.64 115.33 2kh2 n GLU 64 Ca 0.22 0.44 -0.15 0.00 0.00 0.00 0.00 57.16 57.67 2kh2 n GLU 64 Cb 0.31 -5.10 -0.13 0.00 0.00 0.00 0.00 31.44 26.52 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2kh2 s LYS 65 N -5.76 0.56 -0.08 3.44 1.02 -0.85 -5.03 119.74 113.03 2kh2 s LYS 65 Ca 0.30 -0.59 0.02 0.00 0.02 0.00 0.00 55.97 55.72 2kh2 s LYS 65 Cb -0.16 -0.44 0.18 0.00 -0.52 0.00 0.00 37.83 36.90 2kh2 s LYS 65 CO 0.37 0.10 0.99 0.27 -0.92 0.00 0.00 175.35 176.15 2kh2 n ASN 66 N 1.97 2.60 -4.60 2.83 6.94 -1.26 -4.23 115.26 119.51 2kh2 n ASN 66 Ca -0.19 -2.30 -0.38 0.00 -0.02 0.00 0.00 54.58 51.70 2kh2 n ASN 66 Cb 0.56 -0.56 -0.11 0.00 -2.36 0.00 0.00 39.78 37.31 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 -0.73 4.04 0.09 -4.53 1.43 -1.26 -0.83 118.68 116.88 2kh2 s LEU 67 Ca 0.13 0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.33 2kh2 s LEU 67 Cb 0.11 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 2kh2 s LEU 67 CO 0.03 -0.03 -0.22 -0.31 0.23 0.00 0.00 176.35 176.05 2kh2 s TYR 68 N 1.64 1.92 -0.18 0.29 1.51 -0.39 -1.24 117.35 120.89 2kh2 s TYR 68 Ca 0.07 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.44 2kh2 s TYR 68 Cb -0.16 -1.08 -0.02 0.00 -0.11 0.00 0.00 41.96 40.59 2kh2 s TYR 68 CO 0.10 0.19 1.39 -0.51 -1.11 0.00 0.00 175.55 175.61 2kh2 s LEU 69 N -1.67 4.11 -0.11 -1.29 1.43 -0.39 -0.34 118.68 120.42 2kh2 s LEU 69 Ca 0.08 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 2kh2 s LEU 69 Cb -0.10 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 2kh2 s LEU 69 CO 0.04 -0.92 -0.10 -0.55 0.23 0.00 0.00 176.35 175.04 2kh2 s SER 70 N 2.69 4.29 -0.31 2.29 0.15 0.11 -4.50 113.70 118.42 2kh2 s SER 70 Ca 0.61 -0.20 -0.08 0.00 0.70 0.00 0.00 55.95 56.98 2kh2 s SER 70 Cb -0.23 -1.41 0.01 0.00 -1.71 0.00 0.00 66.02 62.68 2kh2 s SER 70 CO 0.21 0.24 0.11 0.00 1.20 0.00 0.00 173.24 175.00 2kh2 s VAL 72 N 1.51 0.00 -0.27 0.00 -7.23 -0.67 -4.67 120.40 109.07 2kh2 s VAL 72 Ca 0.02 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 58.07 2kh2 s VAL 72 Cb -0.18 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 2kh2 s VAL 72 CO 0.04 0.00 0.44 -0.76 -0.31 0.00 0.00 175.10 174.51 2kh2 s LEU 73 N -3.16 4.05 -0.11 1.32 1.43 -1.26 0.10 118.68 121.05 2kh2 s LEU 73 Ca 0.38 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 2kh2 s LEU 73 Cb 0.06 -2.54 0.02 0.00 0.03 0.00 0.00 46.19 43.76 2kh2 s LEU 73 CO 0.12 -0.24 -0.10 -0.54 0.23 0.00 0.00 176.35 175.83 2kh2 s LYS 74 N 2.19 1.67 -1.21 1.70 1.02 0.94 -4.80 119.74 121.24 2kh2 s LYS 74 Ca 0.18 -0.33 -0.00 0.00 0.02 0.00 0.00 55.97 55.84 2kh2 s LYS 74 Cb -0.16 -1.61 -0.00 0.00 -0.52 0.00 0.00 37.83 35.54 2kh2 s LYS 74 CO 0.10 -0.19 0.94 -3.47 -0.92 0.00 0.00 175.35 171.80 2kh2 n ASP 75 N 4.65 -2.11 -1.41 2.83 -0.08 -1.26 -2.09 116.55 117.08 2kh2 n ASP 75 Ca -0.16 -0.66 -0.18 0.00 -1.51 0.00 0.00 54.79 52.28 2kh2 n ASP 75 Cb 0.50 -4.92 -0.08 0.00 2.34 0.00 0.00 41.12 38.96 2kh2 n ASP 75 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kh2 n ASP 76 N -3.12 -5.42 -3.80 1.67 9.92 -1.26 -4.97 116.55 109.58 2kh2 n ASP 76 Ca -0.28 0.46 -0.13 0.00 -0.53 0.00 0.00 54.79 54.31 2kh2 n ASP 76 Cb 0.67 -4.54 -0.13 0.00 -0.64 0.00 0.00 41.12 36.48 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 -3.55 0.12 -0.01 -1.24 2.47 -0.89 -5.12 119.74 111.52 2kh2 s LYS 77 Ca 0.00 0.23 -0.30 0.00 -1.56 0.00 0.00 55.97 54.35 2kh2 s LYS 77 Cb 0.00 -0.02 -0.06 0.00 -1.46 0.00 0.00 37.83 36.29 2kh2 s LYS 77 CO 0.00 -0.07 1.63 -2.14 0.16 0.00 0.00 175.35 174.93 2kh2 s PRO 78 N 0.44 4.20 0.14 4.03 0.02 -1.26 -0.04 135.00 142.52 2kh2 s PRO 78 Ca -0.03 2.20 0.05 0.00 0.02 0.00 0.00 61.00 63.24 2kh2 s PRO 78 Cb -0.04 -3.84 -0.04 0.00 0.02 0.00 0.00 34.50 30.59 2kh2 s PRO 78 CO -0.02 -0.79 -0.10 0.99 -0.33 0.00 0.00 177.00 176.75 2kh2 s THR 79 N 3.48 1.18 0.03 0.99 2.01 0.12 -4.65 115.64 118.80 2kh2 s THR 79 Ca 0.73 -2.02 0.01 0.00 0.31 0.00 0.00 61.69 60.72 2kh2 s THR 79 Cb -0.35 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 2kh2 s THR 79 CO 0.30 -0.71 0.10 -0.22 -0.69 0.00 0.00 174.62 173.40 2kh2 s LEU 80 N -3.08 3.94 0.30 4.42 2.96 -1.26 -1.67 118.68 124.30 2kh2 s LEU 80 Ca 0.16 0.11 -0.16 0.00 -0.22 0.00 0.00 54.13 54.02 2kh2 s LEU 80 Cb 0.02 -2.45 0.02 0.00 0.50 0.00 0.00 46.19 44.27 2kh2 s LEU 80 CO 0.01 0.22 0.65 0.00 -1.32 0.00 0.00 176.35 175.91 2kh2 s GLN 81 N -2.09 1.85 -0.24 1.98 -2.07 -0.21 -4.95 119.66 113.93 2kh2 s GLN 81 Ca 0.27 -1.24 -0.07 0.00 -1.82 0.00 0.00 55.36 52.50 2kh2 s GLN 81 Cb -0.12 0.56 -0.03 0.00 -1.09 0.00 0.00 33.01 32.33 2kh2 s GLN 81 CO 0.19 -0.83 0.07 -0.51 -1.32 0.00 0.00 175.29 172.90 2kh2 s LEU 82 N -3.01 3.53 -0.15 2.60 2.01 -1.26 0.07 118.68 122.46 2kh2 s LEU 82 Ca 0.17 -0.15 -0.03 0.00 0.01 0.00 0.00 54.13 54.13 2kh2 s LEU 82 Cb -0.04 -1.94 -0.02 0.00 0.01 0.00 0.00 46.19 44.20 2kh2 s LEU 82 CO 0.10 -0.00 -0.05 -1.61 1.01 0.00 0.00 176.35 175.80 2kh2 s GLU 83 N 1.42 3.62 -0.69 1.70 2.02 0.54 -4.89 118.70 122.41 2kh2 s GLU 83 Ca 0.05 -0.55 -0.25 0.00 0.02 0.00 0.00 54.97 54.25 2kh2 s GLU 83 Cb -0.15 -2.88 0.05 0.00 0.10 0.00 0.00 34.13 31.26 2kh2 s GLU 83 CO 0.04 0.22 1.11 -1.54 0.02 0.00 0.00 175.26 175.11 2kh2 s SER 84 N 0.41 6.18 0.51 -0.19 1.04 -1.26 -1.27 113.70 119.12 2kh2 s SER 84 Ca -0.05 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2kh2 s SER 84 Cb -0.14 -2.49 0.02 0.00 0.10 0.00 0.00 66.02 63.51 2kh2 s SER 84 CO 0.03 -1.62 0.74 0.68 0.98 0.00 0.00 173.24 174.06 2kh2 s VAL 85 N 4.84 3.30 -0.10 5.02 -7.23 -0.01 -5.01 120.40 121.20 2kh2 s VAL 85 Ca 0.28 -0.54 -0.32 0.00 -1.81 0.00 0.00 61.98 59.59 2kh2 s VAL 85 Cb -0.13 -3.24 -0.10 0.00 0.56 0.00 0.00 36.38 33.48 2kh2 s VAL 85 CO 0.13 -0.17 1.98 -0.67 -0.31 0.00 0.00 175.10 176.06 2kh2 n ASP 86 N -2.25 3.48 0.29 4.85 4.64 -1.26 -4.84 116.55 121.46 2kh2 n ASP 86 Ca 0.05 0.80 0.18 0.00 -1.38 0.00 0.00 54.79 54.43 2kh2 n ASP 86 Cb 0.59 -1.42 0.84 0.00 -1.04 0.00 0.00 41.12 40.08 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 10.67 0.00 0.00 -0.67 0.13 -1.93 -1.63 132.00 138.57 2kh2 h PRO 87 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kh2 h PRO 87 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kh2 h PRO 87 CO 0.96 0.03 -1.46 0.36 -0.23 0.00 0.00 178.00 177.66 2kh2 n LYS 88 N -3.18 0.72 -0.11 0.86 2.85 -1.26 -4.29 118.16 113.75 2kh2 n LYS 88 Ca -0.01 -0.10 0.09 0.00 -1.05 0.00 0.00 58.31 57.24 2kh2 n LYS 88 Cb 0.24 -1.42 0.14 0.00 -0.65 0.00 0.00 35.03 33.34 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 -1.86 2.83 -4.09 -5.58 3.02 -1.08 -4.95 115.26 103.55 2kh2 n ASN 89 Ca -0.01 -1.83 -0.16 0.00 -0.03 0.00 0.00 54.58 52.56 2kh2 n ASN 89 Cb 0.41 -0.14 -0.12 0.00 -0.61 0.00 0.00 39.78 39.32 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 -1.27 0.86 0.90 3.10 1.51 -0.63 -4.41 117.35 117.40 2kh2 s TYR 90 Ca 0.26 -0.42 -0.14 0.00 -1.01 0.00 0.00 57.07 55.77 2kh2 s TYR 90 Cb 0.16 -0.50 0.16 0.00 -0.11 0.00 0.00 41.96 41.67 2kh2 s TYR 90 CO 0.23 -0.03 1.26 -1.25 -1.11 0.00 0.00 175.55 174.65 2kh2 s PRO 91 N -1.38 1.06 0.05 -1.71 0.04 -1.26 -4.78 135.00 127.01 2kh2 s PRO 91 Ca -0.05 -0.34 -0.04 0.00 0.04 0.00 0.00 61.00 60.61 2kh2 s PRO 91 Cb -0.09 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 2kh2 s PRO 91 CO 0.01 -2.13 0.06 -1.59 0.04 0.00 0.00 177.00 173.39 2kh2 s LYS 92 N -5.75 0.59 0.21 4.56 -2.85 -1.26 -5.05 119.74 110.19 2kh2 s LYS 92 Ca 0.70 -0.90 -0.09 0.00 -1.00 0.00 0.00 55.97 54.68 2kh2 s LYS 92 Cb -0.06 0.22 0.15 0.00 -2.06 0.00 0.00 37.83 36.09 2kh2 s LYS 92 CO 0.51 -0.14 1.81 -0.22 0.10 0.00 0.00 175.35 177.41 2kh2 h LYS 93 N 3.51 1.09 -3.92 1.78 3.64 -1.97 -3.34 116.57 117.37 2kh2 h LYS 93 Ca -0.33 -0.14 -0.72 0.00 -1.27 0.00 0.00 60.65 58.19 2kh2 h LYS 93 Cb 1.18 -0.20 -0.32 0.00 -0.41 0.00 0.00 32.23 32.47 2kh2 h LYS 93 CO 0.55 0.83 -0.33 0.21 -2.27 0.00 0.00 179.45 178.44 2kh2 s LYS 94 N -5.77 2.62 0.66 1.90 2.47 -1.26 -2.13 119.74 118.23 2kh2 s LYS 94 Ca -0.13 -2.25 -0.06 0.00 -1.56 0.00 0.00 55.97 51.98 2kh2 s LYS 94 Cb 0.15 -3.86 0.04 0.00 -1.46 0.00 0.00 37.83 32.70 2kh2 s LYS 94 CO 0.81 -1.18 0.97 -1.64 0.16 0.00 0.00 175.35 174.46 2kh2 s MET 95 N 0.46 2.44 0.58 4.03 -1.94 -1.26 -5.04 119.30 118.58 2kh2 s MET 95 Ca 0.13 -0.21 -0.20 0.00 -1.71 0.00 0.00 55.69 53.70 2kh2 s MET 95 Cb -0.20 -2.22 -0.04 0.00 2.01 0.00 0.00 34.83 34.38 2kh2 s MET 95 CO -0.04 -1.04 1.25 -1.21 -0.01 0.00 0.00 175.02 173.97 2kh2 s GLU 96 N -5.14 3.01 0.61 2.03 8.01 -1.26 -4.87 118.70 121.10 2kh2 s GLU 96 Ca 0.58 1.94 0.34 0.00 0.01 0.00 0.00 54.97 57.83 2kh2 s GLU 96 Cb -0.11 -2.02 1.98 0.00 -4.31 0.00 0.00 34.13 29.67 2kh2 s GLU 96 CO 0.44 -1.20 2.27 -0.22 0.01 0.00 0.00 175.26 176.57 2kh2 h LYS 97 N 1.05 0.00 0.00 1.61 3.64 -1.96 0.12 116.57 121.03 2kh2 h LYS 97 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 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 0.56 0.00 0.00 2.89 -2.27 0.00 0.00 179.45 180.63 2kh2 n ARG 98 N -3.62 0.19 -0.03 1.90 1.85 -1.26 -2.67 116.66 113.02 2kh2 n ARG 98 Ca -0.03 0.07 0.02 0.00 -1.00 0.00 0.00 57.85 56.91 2kh2 n ARG 98 Cb 0.10 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.04 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 -1.39 0.07 -3.47 2.89 3.72 0.38 -0.43 117.46 119.24 2kh2 n PHE 99 Ca 0.09 -0.21 -0.39 0.00 -0.05 0.00 0.00 57.45 56.88 2kh2 n PHE 99 Cb 0.24 -0.02 -0.10 0.00 -0.94 0.00 0.00 39.48 38.66 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 -0.62 5.22 0.04 -4.37 1.01 -1.08 -4.26 120.40 116.35 2kh2 s VAL 100 Ca 0.06 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.27 2kh2 s VAL 100 Cb 0.04 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2kh2 s VAL 100 CO 0.05 0.08 -0.02 -0.36 0.00 0.00 0.00 175.10 174.85 2kh2 s PHE 101 N 1.92 2.97 -0.52 5.22 0.08 0.64 -2.12 117.98 126.18 2kh2 s PHE 101 Ca 0.11 -0.01 -0.13 0.00 0.12 0.00 0.00 56.93 57.02 2kh2 s PHE 101 Cb -0.16 -1.59 0.13 0.00 -0.57 0.00 0.00 43.02 40.83 2kh2 s PHE 101 CO 0.11 0.45 0.45 1.21 -0.10 0.00 0.00 175.22 177.33 2kh2 s ASN 102 N -1.87 6.01 -0.51 1.36 3.04 0.22 -0.46 114.94 122.73 2kh2 s ASN 102 Ca 0.22 -1.88 -0.28 0.00 0.04 0.00 0.00 52.86 50.96 2kh2 s ASN 102 Cb -0.11 -2.13 -0.00 0.00 -1.54 0.00 0.00 41.25 37.47 2kh2 s ASN 102 CO 0.13 -0.78 1.61 -0.75 -3.04 0.00 0.00 177.10 174.27 2kh2 s LYS 103 N 1.44 3.16 0.06 0.43 2.20 -0.23 -1.95 119.74 124.85 2kh2 s LYS 103 Ca 0.05 0.74 -0.17 0.00 -0.36 0.00 0.00 55.97 56.22 2kh2 s LYS 103 Cb -0.28 -4.20 -0.06 0.00 -1.51 0.00 0.00 37.83 31.78 2kh2 s LYS 103 CO 0.01 -2.09 0.52 0.42 -0.36 0.00 0.00 175.35 173.86 2kh2 s ILE 104 N 6.93 4.83 -0.65 5.43 1.01 0.16 -2.06 121.20 136.85 2kh2 s ILE 104 Ca 0.63 1.06 0.05 0.00 0.00 0.00 0.00 60.65 62.39 2kh2 s ILE 104 Cb -0.14 -3.83 0.19 0.00 0.01 0.00 0.00 42.46 38.70 2kh2 s ILE 104 CO 0.26 0.52 0.55 -0.62 0.00 0.00 0.00 174.94 175.65 2kh2 n GLU 105 N 1.62 1.84 0.00 2.79 1.02 -1.25 -1.45 120.64 125.20 2kh2 n GLU 105 Ca -0.11 -4.38 0.00 0.00 -0.02 0.00 0.00 57.16 52.65 2kh2 n GLU 105 Cb 0.51 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 2kh2 n GLU 105 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2kh2 n ILE 106 N 1.71 0.00 0.00 -3.67 -5.35 -1.24 -4.93 119.36 105.88 2kh2 n ILE 106 Ca 0.24 0.53 0.00 0.00 -0.27 0.00 0.00 62.75 63.25 2kh2 n ILE 106 Cb 0.38 -1.49 0.00 0.00 -1.74 0.00 0.00 39.64 36.79 2kh2 n ILE 106 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2kh2 n ASN 107 N -0.04 0.00 -0.04 7.28 0.23 -1.26 -4.95 115.26 116.48 2kh2 n ASN 107 Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.09 2kh2 n ASN 107 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 2kh2 n ASN 107 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2kh2 n ASN 108 N 0.00 0.52 -4.81 0.53 6.94 -1.26 -4.98 115.26 112.20 2kh2 n ASN 108 Ca 0.00 -0.76 -0.32 0.00 -0.02 0.00 0.00 54.58 53.48 2kh2 n ASN 108 Cb 0.00 0.88 -0.06 0.00 -2.36 0.00 0.00 39.78 38.24 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 -1.60 3.09 -0.05 -3.83 -0.14 -1.26 -4.99 119.74 110.95 2kh2 s LYS 109 Ca 0.04 -0.54 -0.00 0.00 -1.36 0.00 0.00 55.97 54.11 2kh2 s LYS 109 Cb 0.06 -2.86 -0.03 0.00 -1.68 0.00 0.00 37.83 33.32 2kh2 s LYS 109 CO 0.29 0.61 -0.01 -0.51 -0.76 0.00 0.00 175.35 174.97 2kh2 s LEU 110 N -2.11 3.49 0.07 3.17 1.43 -0.77 -3.71 118.68 120.24 2kh2 s LEU 110 Ca 0.27 0.06 0.09 0.00 -1.03 0.00 0.00 54.13 53.52 2kh2 s LEU 110 Cb -0.12 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 2kh2 s LEU 110 CO 0.19 0.34 -0.23 -1.61 0.23 0.00 0.00 176.35 175.27 2kh2 s GLU 111 N -1.13 1.79 -0.34 1.70 2.02 -0.53 -0.39 118.70 121.82 2kh2 s GLU 111 Ca 0.16 -1.13 -0.01 0.00 0.02 0.00 0.00 54.97 54.00 2kh2 s GLU 111 Cb -0.11 -2.03 0.07 0.00 0.10 0.00 0.00 34.13 32.16 2kh2 s GLU 111 CO 0.05 0.50 0.06 -0.06 0.02 0.00 0.00 175.26 175.84 2kh2 s PHE 112 N -0.92 3.41 0.17 1.61 0.08 -1.26 -0.66 117.98 120.41 2kh2 s PHE 112 Ca 0.14 -2.17 0.03 0.00 0.12 0.00 0.00 56.93 55.05 2kh2 s PHE 112 Cb -0.10 -2.52 -0.03 0.00 -0.57 0.00 0.00 43.02 39.79 2kh2 s PHE 112 CO 0.04 -0.87 0.28 -2.00 -0.10 0.00 0.00 175.22 172.58 2kh2 s GLU 113 N 1.18 3.39 -0.12 0.44 2.12 -0.82 -0.91 118.70 123.98 2kh2 s GLU 113 Ca 0.00 -0.65 -0.17 0.00 0.36 0.00 0.00 54.97 54.51 2kh2 s GLU 113 Cb -0.21 -2.92 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 2kh2 s GLU 113 CO -0.03 0.50 0.42 0.45 -0.54 0.00 0.00 175.26 176.06 2kh2 s SER 114 N -3.35 6.62 0.31 -1.70 0.15 -0.52 0.73 113.70 115.93 2kh2 s SER 114 Ca 0.34 0.74 0.05 0.00 0.70 0.00 0.00 55.95 57.78 2kh2 s SER 114 Cb -0.11 -2.25 0.50 0.00 -1.71 0.00 0.00 66.02 62.45 2kh2 s SER 114 CO 0.28 0.05 1.75 0.00 1.20 0.00 0.00 173.24 176.53 2kh2 h ALA 115 N 6.57 1.18 -0.34 5.45 0.00 -1.70 -2.71 119.26 127.71 2kh2 h ALA 115 Ca -0.42 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.04 2kh2 h ALA 115 Cb 1.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2kh2 h ALA 115 CO 0.75 0.53 -0.28 0.37 0.00 0.00 0.00 179.25 180.62 2kh2 h GLN 116 N 0.32 0.71 -3.93 0.00 5.75 -1.77 -3.39 115.11 112.81 2kh2 h GLN 116 Ca 0.05 -0.31 -0.63 0.00 -0.15 0.00 0.00 58.65 57.61 2kh2 h GLN 116 Cb 0.65 -0.02 -0.40 0.00 1.07 0.00 0.00 27.48 28.78 2kh2 h GLN 116 CO 0.05 0.91 -0.71 -0.06 -2.65 0.00 0.00 178.83 176.36 2kh2 s PHE 117 N -4.50 2.93 0.34 3.99 0.08 -1.02 -5.11 117.98 114.69 2kh2 s PHE 117 Ca -0.09 -2.68 -0.29 0.00 0.12 0.00 0.00 56.93 54.00 2kh2 s PHE 117 Cb 0.13 -2.49 -0.11 0.00 -0.57 0.00 0.00 43.02 39.98 2kh2 s PHE 117 CO 0.83 -0.87 1.41 -2.14 -0.10 0.00 0.00 175.22 174.36 2kh2 s PRO 118 N 0.74 4.23 0.00 0.24 0.02 -1.23 -2.28 135.00 136.72 2kh2 s PRO 118 Ca 0.13 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.55 2kh2 s PRO 118 Cb -0.21 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.29 2kh2 s PRO 118 CO -0.09 -0.38 0.00 0.09 -0.33 0.00 0.00 177.00 176.29 2kh2 n ASN 119 N 0.83 -1.66 -4.31 2.53 5.03 -1.26 -4.99 115.26 111.44 2kh2 n ASN 119 Ca 0.01 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.08 2kh2 n ASN 119 Cb 0.40 -0.71 -0.12 0.00 -1.02 0.00 0.00 39.78 38.33 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 -2.70 3.25 0.20 3.10 0.52 -0.96 -4.34 118.94 118.01 2kh2 s TRP 120 Ca 0.00 -1.27 0.09 0.00 0.02 0.00 0.00 56.10 54.93 2kh2 s TRP 120 Cb 0.00 -2.35 -0.04 0.00 -1.15 0.00 0.00 33.47 29.93 2kh2 s TRP 120 CO 0.00 -0.71 -0.05 0.71 0.02 0.00 0.00 176.95 176.92 2kh2 s TYR 121 N 1.45 2.70 -0.05 -1.98 1.51 0.11 -1.44 117.35 119.65 2kh2 s TYR 121 Ca -0.00 -0.20 -0.30 0.00 -1.01 0.00 0.00 57.07 55.56 2kh2 s TYR 121 Cb -0.19 -1.29 -0.05 0.00 -0.11 0.00 0.00 41.96 40.31 2kh2 s TYR 121 CO 0.04 0.54 1.59 0.42 -1.11 0.00 0.00 175.55 177.03 2kh2 s ILE 122 N -1.86 3.63 0.20 2.71 1.01 -0.08 -0.42 121.20 126.39 2kh2 s ILE 122 Ca 0.27 0.81 0.09 0.00 0.00 0.00 0.00 60.65 61.83 2kh2 s ILE 122 Cb -0.08 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 2kh2 s ILE 122 CO 0.17 -0.06 -0.18 -0.44 0.00 0.00 0.00 174.94 174.42 2kh2 s SER 123 N 3.03 2.93 0.14 3.58 0.01 0.06 -4.48 113.70 118.97 2kh2 s SER 123 Ca 0.71 -0.93 0.08 0.00 1.31 0.00 0.00 55.95 57.12 2kh2 s SER 123 Cb -0.32 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.68 2kh2 s SER 123 CO 0.28 -0.03 -0.18 0.42 0.41 0.00 0.00 173.24 174.14 2kh2 s THR 124 N -2.29 1.69 0.51 1.44 -4.23 -0.89 -2.66 115.64 109.21 2kh2 s THR 124 Ca 0.21 -1.76 -0.08 0.00 -1.18 0.00 0.00 61.69 58.88 2kh2 s THR 124 Cb -0.05 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 72.07 2kh2 s THR 124 CO 0.09 -0.26 0.86 -0.44 -0.54 0.00 0.00 174.62 174.33 2kh2 s SER 125 N -2.38 6.29 0.28 3.99 0.01 -1.26 -2.03 113.70 118.58 2kh2 s SER 125 Ca 0.11 1.10 0.08 0.00 1.31 0.00 0.00 55.95 58.55 2kh2 s SER 125 Cb -0.07 -2.32 0.39 0.00 0.21 0.00 0.00 66.02 64.23 2kh2 s SER 125 CO 0.05 -0.64 1.64 1.56 0.41 0.00 0.00 173.24 176.26 2kh2 h GLN 126 N 0.18 0.12 -7.33 12.44 1.08 -2.00 -3.45 115.11 116.15 2kh2 h GLN 126 Ca -0.46 -0.07 -0.45 0.00 -1.45 0.00 0.00 58.65 56.21 2kh2 h GLN 126 Cb 1.20 0.01 0.17 0.00 -0.05 0.00 0.00 27.48 28.80 2kh2 h GLN 126 CO 0.62 0.63 0.17 0.00 -0.95 0.00 0.00 178.83 179.30 2kh2 s ALA 127 N -3.84 0.78 0.04 3.87 0.00 -1.26 -5.04 121.76 116.31 2kh2 s ALA 127 Ca -0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 2kh2 s ALA 127 Cb 0.13 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 2kh2 s ALA 127 CO 0.77 -2.96 0.23 -2.00 0.00 0.00 0.00 175.76 171.81 2kh2 s GLU 128 N -4.90 3.49 -1.03 0.00 2.56 -1.26 -4.39 118.70 113.17 2kh2 s GLU 128 Ca 0.66 -0.30 -0.00 0.00 0.00 0.00 0.00 54.97 55.33 2kh2 s GLU 128 Cb -0.19 -3.04 0.00 0.00 2.00 0.00 0.00 34.13 32.90 2kh2 s GLU 128 CO 0.58 0.61 0.01 -1.71 -0.56 0.00 0.00 175.26 174.20 2kh2 n ASN 129 N 0.58 -3.87 -4.87 -1.70 5.15 -0.77 -5.02 115.26 104.78 2kh2 n ASN 129 Ca -0.07 -0.02 -0.35 0.00 -0.60 0.00 0.00 54.58 53.54 2kh2 n ASN 129 Cb 0.52 -3.07 -0.06 0.00 -0.53 0.00 0.00 39.78 36.64 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 -4.63 3.39 0.97 1.20 -1.94 -1.22 -4.83 119.30 112.24 2kh2 s MET 130 Ca 0.01 -0.24 -0.12 0.00 -1.71 0.00 0.00 55.69 53.63 2kh2 s MET 130 Cb -0.00 -3.11 0.17 0.00 2.01 0.00 0.00 34.83 33.90 2kh2 s MET 130 CO 0.01 0.73 1.09 -2.14 -0.01 0.00 0.00 175.02 174.70 2kh2 s PRO 131 N -1.39 0.66 -0.16 2.03 0.02 -1.26 -0.73 135.00 134.16 2kh2 s PRO 131 Ca 0.20 0.68 -0.09 0.00 0.02 0.00 0.00 61.00 61.80 2kh2 s PRO 131 Cb -0.12 -1.75 -0.05 0.00 0.02 0.00 0.00 34.50 32.60 2kh2 s PRO 131 CO 0.10 -2.61 0.15 0.08 -0.33 0.00 0.00 177.00 174.39 2kh2 s VAL 132 N -2.91 5.43 0.34 3.83 1.01 -0.95 -4.57 120.40 122.58 2kh2 s VAL 132 Ca 0.65 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.93 2kh2 s VAL 132 Cb -0.19 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2kh2 s VAL 132 CO 0.58 0.51 0.30 0.72 0.00 0.00 0.00 175.10 177.21 2kh2 s PHE 133 N -0.20 1.72 -0.19 5.22 -0.12 -1.09 -4.85 117.98 118.48 2kh2 s PHE 133 Ca 0.12 -1.65 -0.14 0.00 -0.05 0.00 0.00 56.93 55.21 2kh2 s PHE 133 Cb -0.12 -0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 41.57 2kh2 s PHE 133 CO 0.01 -0.91 0.32 -1.17 -0.05 0.00 0.00 175.22 173.42 2kh2 s LEU 134 N -3.37 4.19 0.10 -1.99 2.96 -1.26 -0.76 118.68 118.54 2kh2 s LEU 134 Ca 0.40 0.46 0.09 0.00 -0.22 0.00 0.00 54.13 54.86 2kh2 s LEU 134 Cb 0.02 -2.40 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 2kh2 s LEU 134 CO 0.28 0.02 -0.24 -0.83 -1.32 0.00 0.00 176.35 174.26 2kh2 s GLY 135 N 0.81 1.38 -0.23 7.98 0.00 0.44 -4.89 107.32 112.80 2kh2 s GLY 135 Ca 0.16 -1.31 0.13 0.00 0.00 0.00 0.00 44.72 43.71 2kh2 s GLY 135 CO 0.06 -1.28 1.44 0.61 0.00 0.00 0.00 173.10 173.92 2kh2 n GLY 136 N 1.20 4.46 2.45 0.20 0.00 -1.26 -0.71 105.19 111.53 2kh2 n GLY 136 Ca -0.18 -1.13 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.83 2.46 -2.14 2.61 -2.24 -1.26 -4.94 114.28 107.93 2kh2 n THR 137 Ca 0.27 -5.25 -0.42 0.00 -2.27 0.00 0.00 64.05 56.38 2kh2 n THR 137 Cb 0.96 -2.10 -0.03 0.00 -2.10 0.00 0.00 70.33 67.06 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 -2.48 4.30 0.00 -0.78 2.20 -1.26 -2.17 119.74 119.55 2kh2 s LYS 138 Ca 0.39 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 58.12 2kh2 s LYS 138 Cb 0.14 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 2kh2 s LYS 138 CO -0.01 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 174.92 2kh2 n GLY 139 N 3.54 0.46 0.00 5.54 0.00 -1.26 -5.02 105.19 108.45 2kh2 n GLY 139 Ca 0.12 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.94 2.79 0.16 -0.02 0.00 -0.92 -5.00 105.19 99.26 2kh2 n GLY 140 Ca 0.00 -1.82 -0.07 0.00 0.00 0.00 0.00 46.02 44.14 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 0.27 -6.48 1.61 7.50 -1.96 -3.43 115.11 112.62 2kh2 h GLN 141 Ca 0.00 -0.21 -0.53 0.00 0.50 0.00 0.00 58.65 58.40 2kh2 h GLN 141 Cb 0.00 0.04 0.00 0.00 0.05 0.00 0.00 27.48 27.57 2kh2 h GLN 141 CO 0.00 0.85 0.56 -0.51 -1.50 0.00 0.00 178.83 178.23 2kh2 s ASP 142 N -6.92 7.08 -0.17 1.46 1.01 -1.26 -4.64 116.67 113.22 2kh2 s ASP 142 Ca -0.04 2.02 -0.29 0.00 0.71 0.00 0.00 52.55 54.94 2kh2 s ASP 142 Cb 0.11 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.46 2kh2 s ASP 142 CO 0.81 -0.47 1.13 -0.63 0.21 0.00 0.00 175.17 176.23 2kh2 s ILE 143 N 1.06 4.50 -0.22 0.77 1.01 -0.86 -4.50 121.20 122.95 2kh2 s ILE 143 Ca 0.59 1.81 0.11 0.00 0.00 0.00 0.00 60.65 63.15 2kh2 s ILE 143 Cb -0.29 -4.17 -0.15 0.00 0.01 0.00 0.00 42.46 37.86 2kh2 s ILE 143 CO 0.29 -0.12 0.33 0.35 0.00 0.00 0.00 174.94 175.79 2kh2 n THR 144 N 5.18 0.00 -3.68 2.92 -2.24 -1.26 -2.09 114.28 113.11 2kh2 n THR 144 Ca 0.12 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.31 2kh2 n THR 144 Cb 0.46 0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 69.20 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 -2.74 6.56 0.23 3.42 -4.77 -1.26 -4.17 116.67 113.93 2kh2 s ASP 145 Ca -0.01 0.66 0.04 0.00 -3.30 0.00 0.00 52.55 49.95 2kh2 s ASP 145 Cb 0.08 -2.13 -0.02 0.00 -1.09 0.00 0.00 42.92 39.76 2kh2 s ASP 145 CO 0.45 0.21 0.22 0.49 0.70 0.00 0.00 175.17 177.25 2kh2 n PHE 146 N 1.00 -0.65 -4.44 2.11 3.72 0.48 -4.07 117.46 115.60 2kh2 n PHE 146 Ca -0.10 -1.91 -0.24 0.00 -0.05 0.00 0.00 57.45 55.15 2kh2 n PHE 146 Cb 0.53 0.23 -0.10 0.00 -0.94 0.00 0.00 39.48 39.20 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 -2.91 2.63 -0.54 4.37 -4.23 -0.76 -1.85 115.64 112.36 2kh2 s THR 147 Ca 0.27 -2.32 0.07 0.00 -1.18 0.00 0.00 61.69 58.53 2kh2 s THR 147 Cb 0.01 -2.38 0.26 0.00 1.34 0.00 0.00 72.50 71.73 2kh2 s THR 147 CO 0.19 -0.39 0.70 0.80 -0.54 0.00 0.00 174.62 175.38 2kh2 n MET 148 N -0.63 1.96 -2.29 3.99 1.56 -1.26 -4.04 117.12 116.41 2kh2 n MET 148 Ca -0.05 -4.18 -0.42 0.00 -0.27 0.00 0.00 57.70 52.77 2kh2 n MET 148 Cb 0.60 -1.91 -0.03 0.00 2.15 0.00 0.00 33.22 34.03 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 -2.17 4.35 0.02 2.12 1.11 -1.20 -4.83 119.66 119.05 2kh2 s GLN 149 Ca 0.39 1.92 -0.20 0.00 0.01 0.00 0.00 55.36 57.48 2kh2 s GLN 149 Cb 0.18 -3.38 -0.06 0.00 -1.01 0.00 0.00 33.01 28.74 2kh2 s GLN 149 CO -0.06 -0.41 0.58 -0.06 0.01 0.00 0.00 175.29 175.35 2kh2 s PHE 150 N 1.48 3.72 0.48 0.91 0.08 -1.26 -1.64 117.98 121.76 2kh2 s PHE 150 Ca 0.62 1.21 0.06 0.00 0.12 0.00 0.00 56.93 58.94 2kh2 s PHE 150 Cb -0.32 -2.56 0.00 0.00 -0.57 0.00 0.00 43.02 39.57 2kh2 s PHE 150 CO 0.28 0.43 0.34 0.14 -0.10 0.00 0.00 175.22 176.32 2kh2 s VAL 151 N -0.49 2.05 -1.35 -0.44 -7.23 -1.21 -5.01 120.40 106.71 2kh2 s VAL 151 Ca 0.30 -1.50 -0.08 0.00 -1.81 0.00 0.00 61.98 58.89 2kh2 s VAL 151 Cb -0.19 -2.56 0.11 0.00 0.56 0.00 0.00 36.38 34.31 2kh2 s VAL 151 CO 0.17 0.00 2.26 -1.54 -0.31 0.00 0.00 175.10 175.68 2kh2 n SER 152 N -1.59 6.75 0.00 4.85 3.41 -1.26 -4.87 113.62 120.91 2kh2 n SER 152 Ca -0.00 -3.04 0.00 0.00 -0.26 0.00 0.00 58.87 55.56 2kh2 n SER 152 Cb 0.64 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68