#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 0.12 -6.43 0.00 0.13 -2.08 -3.43 132.00 120.31 2kh2 h PRO 2 Ca 0.00 -0.04 -0.54 0.00 -0.87 0.00 0.00 66.00 64.56 2kh2 h PRO 2 Cb 0.00 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.11 2kh2 h PRO 2 CO 0.00 0.37 0.47 0.54 -0.23 0.00 0.00 178.00 179.14 2kh2 s VAL 3 N -4.49 4.49 -0.22 1.56 0.11 -1.26 -5.01 120.40 115.58 2kh2 s VAL 3 Ca -0.04 1.78 -0.20 0.00 -2.93 0.00 0.00 61.98 60.59 2kh2 s VAL 3 Cb 0.15 -4.14 -0.03 0.00 -1.53 0.00 0.00 36.38 30.83 2kh2 s VAL 3 CO 0.73 0.13 0.59 -0.13 -3.33 0.00 0.00 175.10 173.09 2kh2 s ARG 4 N 1.10 4.17 -0.13 1.54 1.81 -1.26 -5.04 118.95 121.13 2kh2 s ARG 4 Ca 0.55 0.52 -0.16 0.00 -1.72 0.00 0.00 55.73 54.92 2kh2 s ARG 4 Cb -0.25 -3.60 0.04 0.00 -0.45 0.00 0.00 34.95 30.69 2kh2 s ARG 4 CO 0.28 -0.28 0.43 -1.12 -0.68 0.00 0.00 175.30 173.93 2kh2 s SER 5 N 1.30 -0.42 0.07 0.23 0.01 -1.26 -1.88 113.70 111.74 2kh2 s SER 5 Ca 0.26 0.74 -0.00 0.00 1.31 0.00 0.00 55.95 58.26 2kh2 s SER 5 Cb -0.16 0.78 -0.04 0.00 0.21 0.00 0.00 66.02 66.81 2kh2 s SER 5 CO 0.10 -0.23 -0.03 -1.48 0.41 0.00 0.00 173.24 172.00 2kh2 s LEU 6 N -0.12 2.44 -0.07 2.44 0.05 -0.92 -4.96 118.68 117.54 2kh2 s LEU 6 Ca -0.03 -1.02 0.05 0.00 0.05 0.00 0.00 54.13 53.18 2kh2 s LEU 6 Cb -0.03 0.12 -0.01 0.00 -2.05 0.00 0.00 46.19 44.22 2kh2 s LEU 6 CO 0.02 -0.57 -0.24 0.20 -0.55 0.00 0.00 176.35 175.21 2kh2 s ASN 7 N -2.97 3.14 0.21 1.48 -0.87 -1.26 -0.08 114.94 114.59 2kh2 s ASN 7 Ca 0.10 -0.51 -0.22 0.00 -1.57 0.00 0.00 52.86 50.66 2kh2 s ASN 7 Cb 0.07 -1.05 0.05 0.00 -0.02 0.00 0.00 41.25 40.30 2kh2 s ASN 7 CO -0.07 0.22 0.64 0.00 -2.57 0.00 0.00 177.10 175.32 2kh2 s THR 9 N -3.83 3.44 -0.16 0.00 2.01 0.71 -0.48 115.64 117.33 2kh2 s THR 9 Ca 0.05 -0.54 -0.10 0.00 0.31 0.00 0.00 61.69 61.41 2kh2 s THR 9 Cb -0.03 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.99 2kh2 s THR 9 CO -0.04 0.54 0.18 -0.76 -0.69 0.00 0.00 174.62 173.85 2kh2 s LEU 10 N -0.08 4.28 0.03 4.42 1.43 -1.26 -1.42 118.68 126.08 2kh2 s LEU 10 Ca -0.00 0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.52 2kh2 s LEU 10 Cb -0.14 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 2kh2 s LEU 10 CO 0.03 0.24 -0.10 -0.13 0.23 0.00 0.00 176.35 176.63 2kh2 s ARG 11 N -0.12 0.67 0.90 1.70 0.52 -1.06 -3.72 118.95 117.85 2kh2 s ARG 11 Ca 0.12 -0.60 -0.14 0.00 -0.52 0.00 0.00 55.73 54.60 2kh2 s ARG 11 Cb -0.12 -0.59 0.14 0.00 0.52 0.00 0.00 34.95 34.91 2kh2 s ARG 11 CO 0.02 0.14 1.20 0.16 0.02 0.00 0.00 175.30 176.84 2kh2 s ASP 12 N -0.99 3.61 0.00 0.23 -4.77 -0.55 0.33 116.67 114.54 2kh2 s ASP 12 Ca -0.02 0.69 0.12 0.00 -3.30 0.00 0.00 52.55 50.04 2kh2 s ASP 12 Cb -0.07 -1.08 0.70 0.00 -1.09 0.00 0.00 42.92 41.38 2kh2 s ASP 12 CO 0.01 -2.46 1.21 -1.54 0.70 0.00 0.00 175.17 173.09 2kh2 n SER 13 N -3.66 0.00 -0.87 2.11 3.41 -1.26 -2.52 113.62 110.82 2kh2 n SER 13 Ca 0.10 -0.97 0.08 0.00 -0.26 0.00 0.00 58.87 57.81 2kh2 n SER 13 Cb 0.60 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.79 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 -0.77 2.99 -1.29 4.33 1.13 -1.26 -4.94 117.38 117.57 2kh2 n GLN 14 Ca 0.09 -2.65 -0.10 0.00 -1.94 0.00 0.00 57.00 52.40 2kh2 n GLN 14 Cb 0.04 -1.71 -0.04 0.00 0.11 0.00 0.00 30.24 28.63 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 -0.18 -0.85 -3.38 -1.09 1.13 -1.05 -4.93 117.38 107.04 2kh2 n GLN 15 Ca 0.19 0.82 -0.36 0.00 -1.94 0.00 0.00 57.00 55.71 2kh2 n GLN 15 Cb 0.78 -4.79 -0.06 0.00 0.11 0.00 0.00 30.24 26.29 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 -2.72 3.99 0.20 -1.09 1.02 -1.26 -3.70 119.74 116.19 2kh2 s LYS 16 Ca 0.00 0.50 0.10 0.00 0.02 0.00 0.00 55.97 56.59 2kh2 s LYS 16 Cb 0.00 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 34.24 2kh2 s LYS 16 CO 0.00 0.54 -0.16 -1.12 -0.92 0.00 0.00 175.35 173.69 2kh2 s SER 17 N -1.54 3.88 -0.16 2.83 0.01 0.16 -1.48 113.70 117.40 2kh2 s SER 17 Ca 0.34 -0.75 -0.20 0.00 1.31 0.00 0.00 55.95 56.65 2kh2 s SER 17 Cb -0.16 -0.50 -0.03 0.00 0.21 0.00 0.00 66.02 65.54 2kh2 s SER 17 CO 0.18 0.09 0.56 -0.76 0.41 0.00 0.00 173.24 173.73 2kh2 s LEU 18 N -2.92 4.20 0.16 2.44 1.43 -1.24 -1.38 118.68 121.38 2kh2 s LEU 18 Ca 0.24 0.82 0.09 0.00 -1.03 0.00 0.00 54.13 54.25 2kh2 s LEU 18 Cb -0.08 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 2kh2 s LEU 18 CO 0.13 -0.15 -0.19 0.68 0.23 0.00 0.00 176.35 177.06 2kh2 s VAL 19 N 1.34 1.84 -0.39 -1.59 -7.23 0.65 -1.76 120.40 113.24 2kh2 s VAL 19 Ca 0.28 -1.89 -0.27 0.00 -1.81 0.00 0.00 61.98 58.29 2kh2 s VAL 19 Cb -0.16 -1.83 0.02 0.00 0.56 0.00 0.00 36.38 34.97 2kh2 s VAL 19 CO 0.11 -0.28 0.97 -0.04 -0.31 0.00 0.00 175.10 175.55 2kh2 s MET 20 N -2.70 3.80 0.00 4.82 -1.94 -1.26 -0.89 119.30 121.13 2kh2 s MET 20 Ca 0.15 0.56 0.00 0.00 -1.71 0.00 0.00 55.69 54.69 2kh2 s MET 20 Cb -0.06 -3.83 0.00 0.00 2.01 0.00 0.00 34.83 32.95 2kh2 s MET 20 CO 0.07 -1.05 0.10 0.45 -0.01 0.00 0.00 175.02 174.57 2kh2 n SER 21 N 7.00 0.00 0.00 3.03 2.88 0.17 -4.94 113.62 121.75 2kh2 n SER 21 Ca 0.08 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 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 1.84 3.30 0.24 0.46 0.00 -1.23 -4.95 105.19 104.85 2kh2 n GLY 22 Ca 0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 46.02 44.04 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 0.49 -0.88 1.61 0.13 -2.04 -3.31 132.00 128.00 2kh2 h PRO 23 Ca 0.00 -0.18 -0.37 0.00 -0.87 0.00 0.00 66.00 64.58 2kh2 h PRO 23 Cb 0.00 -0.03 -0.41 0.00 0.13 0.00 0.00 31.00 30.69 2kh2 h PRO 23 CO 0.00 0.70 -1.08 0.66 -0.23 0.00 0.00 178.00 178.05 2kh2 n TYR 24 N -4.13 1.62 -3.84 1.56 4.01 -1.26 -5.08 117.16 110.04 2kh2 n TYR 24 Ca -0.00 -2.60 -0.12 0.00 -0.16 0.00 0.00 57.90 55.02 2kh2 n TYR 24 Cb 0.40 -0.29 -0.13 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 -3.42 0.08 -0.03 -0.72 2.12 -1.25 -4.62 118.70 110.86 2kh2 s GLU 25 Ca 0.32 0.11 0.07 0.00 0.36 0.00 0.00 54.97 55.82 2kh2 s GLU 25 Cb 0.41 0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.81 2kh2 s GLU 25 CO -0.01 -0.02 -0.24 -0.51 -0.54 0.00 0.00 175.26 173.94 2kh2 s LEU 26 N 0.09 2.04 0.12 2.70 1.43 -1.26 -0.66 118.68 123.14 2kh2 s LEU 26 Ca -0.00 -0.45 0.08 0.00 -1.03 0.00 0.00 54.13 52.72 2kh2 s LEU 26 Cb -0.01 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 2kh2 s LEU 26 CO -0.00 0.28 -0.18 -0.54 0.23 0.00 0.00 176.35 176.13 2kh2 s LYS 27 N -0.45 1.11 -0.16 1.70 1.02 -0.06 -3.20 119.74 119.70 2kh2 s LYS 27 Ca 0.06 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.83 2kh2 s LYS 27 Cb -0.10 -1.22 0.00 0.00 -0.52 0.00 0.00 37.83 35.99 2kh2 s LYS 27 CO 0.00 0.26 -0.16 0.00 -0.92 0.00 0.00 175.35 174.54 2kh2 s ALA 28 N -1.60 2.46 0.10 5.17 0.00 -0.42 -0.26 121.76 127.21 2kh2 s ALA 28 Ca 0.08 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 50.83 2kh2 s ALA 28 Cb -0.08 -1.23 0.02 0.00 0.00 0.00 0.00 23.12 21.83 2kh2 s ALA 28 CO 0.04 -0.13 0.29 -0.48 0.00 0.00 0.00 175.76 175.49 2kh2 s LEU 29 N 0.97 0.94 0.18 0.00 0.05 -0.48 -2.35 118.68 118.00 2kh2 s LEU 29 Ca -0.03 -0.45 -0.32 0.00 0.05 0.00 0.00 54.13 53.39 2kh2 s LEU 29 Cb -0.15 1.40 -0.11 0.00 -2.05 0.00 0.00 46.19 45.28 2kh2 s LEU 29 CO -0.03 -0.76 1.61 -1.00 -0.55 0.00 0.00 176.35 175.62 2kh2 s HIS 30 N -3.63 3.01 -0.15 3.48 3.76 -1.26 0.36 115.29 120.86 2kh2 s HIS 30 Ca 0.03 0.56 0.00 0.00 -0.15 0.00 0.00 55.06 55.50 2kh2 s HIS 30 Cb 0.03 -3.99 0.02 0.00 1.11 0.00 0.00 32.58 29.75 2kh2 s HIS 30 CO -0.10 -3.65 -0.13 -1.17 -0.85 0.00 0.00 174.74 168.83 2kh2 s LEU 31 N 1.06 1.67 0.00 0.89 2.96 -1.24 -4.86 118.68 119.15 2kh2 s LEU 31 Ca 0.71 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 54.12 2kh2 s LEU 31 Cb -0.45 -1.15 0.00 0.00 0.50 0.00 0.00 46.19 45.09 2kh2 s LEU 31 CO 0.32 -0.07 0.00 0.00 -1.32 0.00 0.00 176.35 175.28 2kh2 n GLN 32 N 4.78 0.00 0.00 1.98 6.02 -1.26 -4.91 117.38 123.99 2kh2 n GLN 32 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 2kh2 n GLN 32 Cb 0.50 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.76 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 0.00 3.35 1.02 1.08 0.00 -1.26 -2.45 105.19 106.93 2kh2 n GLY 33 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 13.89 1.87 -0.23 1.61 -0.06 -1.26 -4.50 117.38 128.71 2kh2 n GLN 34 Ca 0.00 -3.15 0.09 0.00 -2.00 0.00 0.00 57.00 51.94 2kh2 n GLN 34 Cb 0.00 -1.78 0.21 0.00 -4.06 0.00 0.00 30.24 24.61 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 -1.08 3.31 -0.03 1.69 10.43 -1.03 -4.51 116.55 125.33 2kh2 n ASP 35 Ca 0.30 -1.95 0.02 0.00 2.57 0.00 0.00 54.79 55.72 2kh2 n ASP 35 Cb 0.96 -0.30 0.35 0.00 1.84 0.00 0.00 41.12 43.97 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 -1.07 0.00 0.00 177.20 176.10 2kh2 h MET 36 N 3.34 0.61 0.00 -1.24 4.05 -1.79 -2.10 114.93 117.80 2kh2 h MET 36 Ca 0.00 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2kh2 h MET 36 Cb 0.85 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.53 2kh2 h MET 36 CO 0.00 0.48 0.00 -0.85 0.23 0.00 0.00 176.91 176.77 2kh2 n GLU 37 N -4.40 0.09 -0.04 0.39 0.00 -1.26 -1.41 120.64 114.01 2kh2 n GLU 37 Ca 0.03 0.16 0.12 0.00 0.00 0.00 0.00 57.16 57.48 2kh2 n GLU 37 Cb 0.12 -1.50 0.22 0.00 0.00 0.00 0.00 31.44 30.29 2kh2 n GLU 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2kh2 n GLN 38 N -1.19 2.19 -2.16 3.44 6.02 -0.79 -4.96 117.38 119.94 2kh2 n GLN 38 Ca 0.02 -1.75 -0.39 0.00 -0.01 0.00 0.00 57.00 54.88 2kh2 n GLN 38 Cb 0.03 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 29.81 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 -1.90 3.93 0.26 -1.09 -2.07 -0.50 -4.70 119.66 113.58 2kh2 s GLN 39 Ca 0.32 1.98 -0.29 0.00 -1.82 0.00 0.00 55.36 55.55 2kh2 s GLN 39 Cb 0.21 -2.65 -0.09 0.00 -1.09 0.00 0.00 33.01 29.38 2kh2 s GLN 39 CO 0.31 -0.47 0.95 0.08 -1.32 0.00 0.00 175.29 174.84 2kh2 s VAL 40 N -1.36 4.06 -0.18 3.63 1.01 -0.72 -5.04 120.40 121.79 2kh2 s VAL 40 Ca 0.59 1.98 -0.03 0.00 0.00 0.00 0.00 61.98 64.52 2kh2 s VAL 40 Cb -0.34 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.80 2kh2 s VAL 40 CO 0.43 0.41 -0.05 -0.69 0.00 0.00 0.00 175.10 175.20 2kh2 s VAL 41 N -1.28 3.56 -0.10 2.92 1.01 -1.26 -4.45 120.40 120.80 2kh2 s VAL 41 Ca 0.43 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 2kh2 s VAL 41 Cb -0.25 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2kh2 s VAL 41 CO 0.31 0.46 0.05 -0.36 0.00 0.00 0.00 175.10 175.56 2kh2 s PHE 42 N 0.90 3.32 -0.24 5.22 0.08 0.36 -0.97 117.98 126.66 2kh2 s PHE 42 Ca -0.01 0.31 -0.15 0.00 0.12 0.00 0.00 56.93 57.21 2kh2 s PHE 42 Cb -0.15 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 2kh2 s PHE 42 CO 0.01 0.56 0.36 -1.12 -0.10 0.00 0.00 175.22 174.94 2kh2 s SER 43 N -0.91 6.31 -0.45 1.36 0.01 0.63 -1.77 113.70 118.88 2kh2 s SER 43 Ca 0.14 0.36 -0.16 0.00 1.31 0.00 0.00 55.95 57.60 2kh2 s SER 43 Cb -0.12 -2.21 0.05 0.00 0.21 0.00 0.00 66.02 63.96 2kh2 s SER 43 CO 0.03 -0.12 0.39 -0.04 0.41 0.00 0.00 173.24 173.91 2kh2 s MET 44 N 1.68 3.00 -0.07 12.44 -1.94 0.89 -2.78 119.30 132.52 2kh2 s MET 44 Ca 0.16 -1.17 -0.17 0.00 -1.71 0.00 0.00 55.69 52.80 2kh2 s MET 44 Cb -0.15 -4.07 -0.05 0.00 2.01 0.00 0.00 34.83 32.57 2kh2 s MET 44 CO 0.09 -0.95 0.44 -1.12 -0.01 0.00 0.00 175.02 173.46 2kh2 s SER 45 N 2.29 6.73 -0.72 3.03 0.01 -1.13 -2.17 113.70 121.74 2kh2 s SER 45 Ca 0.06 0.86 -0.25 0.00 1.31 0.00 0.00 55.95 57.93 2kh2 s SER 45 Cb -0.22 -2.27 0.05 0.00 0.21 0.00 0.00 66.02 63.79 2kh2 s SER 45 CO 0.09 0.14 1.17 -0.36 0.41 0.00 0.00 173.24 174.69 2kh2 s PHE 46 N -0.10 2.44 0.59 2.43 0.40 -0.79 -0.81 117.98 122.14 2kh2 s PHE 46 Ca 0.24 -0.27 -0.07 0.00 -0.60 0.00 0.00 56.93 56.23 2kh2 s PHE 46 Cb -0.16 -4.51 0.00 0.00 0.51 0.00 0.00 43.02 38.86 2kh2 s PHE 46 CO 0.11 -1.92 0.91 0.14 0.70 0.00 0.00 175.22 175.17 2kh2 s VAL 47 N 5.09 3.84 -0.79 -0.44 -7.23 -1.17 -4.84 120.40 114.86 2kh2 s VAL 47 Ca 0.31 0.12 -0.20 0.00 -1.81 0.00 0.00 61.98 60.40 2kh2 s VAL 47 Cb -0.11 -3.53 0.11 0.00 0.56 0.00 0.00 36.38 33.42 2kh2 s VAL 47 CO 0.12 -0.56 0.98 -1.58 -0.31 0.00 0.00 175.10 173.75 2kh2 s GLN 48 N -5.01 3.36 0.00 4.82 2.00 -1.05 -4.81 119.66 118.97 2kh2 s GLN 48 Ca 0.54 -1.46 0.00 0.00 -2.00 0.00 0.00 55.36 52.44 2kh2 s GLN 48 Cb -0.11 -4.57 0.00 0.00 0.80 0.00 0.00 33.01 29.13 2kh2 s GLN 48 CO 0.46 -1.72 0.00 0.41 -0.50 0.00 0.00 175.29 173.95 2kh2 n GLY 49 N 5.32 5.03 3.12 2.59 0.00 -1.26 -4.97 105.19 115.00 2kh2 n GLY 49 Ca 0.09 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 2kh2 n GLY 49 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kh2 n GLU 50 N 0.00 3.05 -2.20 1.61 4.07 -1.26 -4.90 120.64 121.00 2kh2 n GLU 50 Ca 0.00 -2.96 -0.32 0.00 -0.06 0.00 0.00 57.16 53.82 2kh2 n GLU 50 Cb 0.00 -3.35 -0.04 0.00 -0.06 0.00 0.00 31.44 27.98 2kh2 n GLU 50 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2kh2 s GLU 51 N 3.46 2.89 0.26 5.31 2.12 -1.26 -4.28 118.70 127.19 2kh2 s GLU 51 Ca 0.49 -1.20 0.06 0.00 0.36 0.00 0.00 54.97 54.68 2kh2 s GLU 51 Cb 0.09 -5.29 -0.03 0.00 0.26 0.00 0.00 34.13 29.17 2kh2 s GLU 51 CO -0.01 -3.41 0.35 -1.12 -0.54 0.00 0.00 175.26 170.52 2kh2 s SER 52 N 6.16 6.15 0.50 -1.70 0.01 -0.06 -5.01 113.70 119.75 2kh2 s SER 52 Ca 0.64 -0.02 0.23 0.00 1.31 0.00 0.00 55.95 58.11 2kh2 s SER 52 Cb -0.01 -1.70 1.32 0.00 0.21 0.00 0.00 66.02 65.84 2kh2 s SER 52 CO 0.08 -0.12 2.06 0.78 0.41 0.00 0.00 173.24 176.46 2kh2 h ASN 53 N 1.18 0.00 0.00 2.44 -0.26 -2.00 -2.67 115.58 114.27 2kh2 h ASN 53 Ca -0.51 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.23 2kh2 h ASN 53 Cb 1.23 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 2kh2 h ASN 53 CO 0.60 0.13 -0.01 -0.90 -1.06 0.00 0.00 177.43 176.19 2kh2 n ASP 54 N -3.92 2.05 -3.37 5.81 5.75 -1.26 -4.90 116.55 116.71 2kh2 n ASP 54 Ca -0.02 -2.45 -0.16 0.00 -0.01 0.00 0.00 54.79 52.14 2kh2 n ASP 54 Cb 0.22 -0.20 -0.08 0.00 -1.03 0.00 0.00 41.12 40.03 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 -1.78 0.46 -0.31 0.11 2.20 -1.01 -0.30 119.74 119.11 2kh2 s LYS 55 Ca 0.14 -0.38 -0.14 0.00 -0.36 0.00 0.00 55.97 55.23 2kh2 s LYS 55 Cb 0.12 -0.63 -0.03 0.00 -1.51 0.00 0.00 37.83 35.78 2kh2 s LYS 55 CO 0.01 -1.09 0.32 0.42 -0.36 0.00 0.00 175.35 174.65 2kh2 s ILE 56 N 2.03 5.21 -0.26 5.43 -1.09 -0.27 -0.88 121.20 131.36 2kh2 s ILE 56 Ca 0.12 0.18 -0.29 0.00 -2.23 0.00 0.00 60.65 58.43 2kh2 s ILE 56 Cb -0.14 -3.72 0.01 0.00 -1.58 0.00 0.00 42.46 37.02 2kh2 s ILE 56 CO -0.21 0.05 1.13 -2.16 -1.23 0.00 0.00 174.94 172.52 2kh2 s PRO 57 N 1.95 4.13 0.08 2.79 0.04 -1.26 -0.37 135.00 142.36 2kh2 s PRO 57 Ca 0.11 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.43 2kh2 s PRO 57 Cb -0.16 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.60 2kh2 s PRO 57 CO 0.11 -0.82 -0.00 0.14 0.04 0.00 0.00 177.00 176.47 2kh2 s VAL 58 N 3.60 0.18 0.16 -0.36 -7.23 -0.18 -3.03 120.40 113.54 2kh2 s VAL 58 Ca 0.48 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.84 2kh2 s VAL 58 Cb -0.15 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 2kh2 s VAL 58 CO 0.14 -0.82 0.26 0.00 -0.31 0.00 0.00 175.10 174.36 2kh2 s ALA 59 N -3.96 3.88 -0.22 1.32 0.00 0.01 -0.83 121.76 121.96 2kh2 s ALA 59 Ca 0.13 -1.08 -0.00 0.00 0.00 0.00 0.00 51.96 51.00 2kh2 s ALA 59 Cb 0.08 -1.69 0.06 0.00 0.00 0.00 0.00 23.12 21.57 2kh2 s ALA 59 CO -0.06 0.52 -0.03 -0.51 0.00 0.00 0.00 175.76 175.68 2kh2 s LEU 60 N -3.24 2.11 0.17 0.00 1.43 -1.26 -2.84 118.68 115.06 2kh2 s LEU 60 Ca 0.34 -1.05 0.04 0.00 -1.03 0.00 0.00 54.13 52.43 2kh2 s LEU 60 Cb -0.11 -0.99 -0.05 0.00 0.03 0.00 0.00 46.19 45.07 2kh2 s LEU 60 CO 0.27 -0.25 -0.05 -0.83 0.23 0.00 0.00 176.35 175.72 2kh2 s GLY 61 N 1.54 1.23 0.39 -3.19 0.00 -1.12 -0.79 107.32 105.38 2kh2 s GLY 61 Ca -0.04 -1.59 -0.24 0.00 0.00 0.00 0.00 44.72 42.85 2kh2 s GLY 61 CO -0.07 -1.60 1.01 1.08 0.00 0.00 0.00 173.10 173.53 2kh2 s LEU 62 N -3.21 4.15 -0.00 0.66 1.02 -0.38 -0.27 118.68 120.65 2kh2 s LEU 62 Ca 0.21 1.95 -0.34 0.00 0.02 0.00 0.00 54.13 55.97 2kh2 s LEU 62 Cb 0.04 -4.21 -0.12 0.00 0.02 0.00 0.00 46.19 41.92 2kh2 s LEU 62 CO 0.03 -0.40 1.80 1.17 0.02 0.00 0.00 176.35 178.98 2kh2 n LYS 63 N -0.04 2.24 -3.34 1.70 4.81 -0.14 -2.01 118.16 121.37 2kh2 n LYS 63 Ca 0.05 0.82 -0.23 0.00 -0.87 0.00 0.00 58.31 58.07 2kh2 n LYS 63 Cb 0.50 -2.65 -0.00 0.00 0.02 0.00 0.00 35.03 32.90 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 5.74 -3.41 -4.15 1.64 0.00 -1.26 -4.96 120.64 114.24 2kh2 n GLU 64 Ca 0.21 0.49 -0.15 0.00 0.00 0.00 0.00 57.16 57.71 2kh2 n GLU 64 Cb 0.30 -5.20 -0.11 0.00 0.00 0.00 0.00 31.44 26.43 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 -5.99 0.77 -0.18 3.44 1.02 -0.85 -5.03 119.74 112.91 2kh2 s LYS 65 Ca 0.39 -1.03 0.05 0.00 0.02 0.00 0.00 55.97 55.40 2kh2 s LYS 65 Cb -0.21 -0.52 0.39 0.00 -0.52 0.00 0.00 37.83 36.98 2kh2 s LYS 65 CO 0.48 0.09 1.31 0.27 -0.92 0.00 0.00 175.35 176.58 2kh2 n ASN 66 N 0.89 3.45 -4.46 2.83 6.94 -1.26 -4.45 115.26 119.21 2kh2 n ASN 66 Ca -0.19 -2.66 -0.37 0.00 -0.02 0.00 0.00 54.58 51.35 2kh2 n ASN 66 Cb 0.56 -0.64 -0.12 0.00 -2.36 0.00 0.00 39.78 37.22 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 -1.58 3.54 0.13 -4.53 1.43 -1.26 -1.20 118.68 115.20 2kh2 s LEU 67 Ca 0.29 -0.22 0.09 0.00 -1.03 0.00 0.00 54.13 53.26 2kh2 s LEU 67 Cb 0.23 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 2kh2 s LEU 67 CO 0.07 -0.05 -0.21 -0.31 0.23 0.00 0.00 176.35 176.08 2kh2 s TYR 68 N 1.63 1.88 -0.04 0.29 1.51 -0.53 -1.25 117.35 120.83 2kh2 s TYR 68 Ca 0.06 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 2kh2 s TYR 68 Cb -0.15 -1.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.66 2kh2 s TYR 68 CO 0.04 0.27 1.31 -0.51 -1.11 0.00 0.00 175.55 175.56 2kh2 s LEU 69 N -2.17 4.29 -0.05 -1.29 1.43 0.03 -0.74 118.68 120.18 2kh2 s LEU 69 Ca 0.10 1.95 0.06 0.00 -1.03 0.00 0.00 54.13 55.22 2kh2 s LEU 69 Cb -0.09 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 2kh2 s LEU 69 CO 0.05 -0.68 -0.24 -0.55 0.23 0.00 0.00 176.35 175.16 2kh2 s SER 70 N 1.79 2.93 -0.37 2.29 0.15 0.65 -4.53 113.70 116.61 2kh2 s SER 70 Ca 0.60 -0.48 -0.11 0.00 0.70 0.00 0.00 55.95 56.65 2kh2 s SER 70 Cb -0.28 -0.71 0.02 0.00 -1.71 0.00 0.00 66.02 63.34 2kh2 s SER 70 CO 0.23 0.25 0.21 0.00 1.20 0.00 0.00 173.24 175.13 2kh2 s VAL 72 N 1.59 0.62 -0.27 0.00 -7.23 -0.83 -4.70 120.40 109.59 2kh2 s VAL 72 Ca 0.03 -1.99 -0.13 0.00 -1.81 0.00 0.00 61.98 58.08 2kh2 s VAL 72 Cb -0.19 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 2kh2 s VAL 72 CO 0.07 -0.25 0.30 -0.76 -0.31 0.00 0.00 175.10 174.15 2kh2 s LEU 73 N -3.24 4.05 -0.20 1.32 1.43 -1.26 0.32 118.68 121.09 2kh2 s LEU 73 Ca 0.31 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 2kh2 s LEU 73 Cb 0.07 -2.31 0.04 0.00 0.03 0.00 0.00 46.19 44.03 2kh2 s LEU 73 CO 0.09 -0.11 -0.10 -0.54 0.23 0.00 0.00 176.35 175.91 2kh2 s LYS 74 N 1.83 2.02 -1.04 1.70 1.02 0.49 -4.75 119.74 121.00 2kh2 s LYS 74 Ca 0.12 -0.86 -0.01 0.00 0.02 0.00 0.00 55.97 55.23 2kh2 s LYS 74 Cb -0.16 -2.44 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 2kh2 s LYS 74 CO 0.10 -0.44 0.88 -3.47 -0.92 0.00 0.00 175.35 171.50 2kh2 n ASP 75 N 4.68 -3.07 -1.46 2.83 -0.08 -1.26 -2.40 116.55 115.79 2kh2 n ASP 75 Ca -0.15 -0.58 -0.18 0.00 -1.51 0.00 0.00 54.79 52.37 2kh2 n ASP 75 Cb 0.46 -4.68 -0.08 0.00 2.34 0.00 0.00 41.12 39.16 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 -2.95 -5.28 -3.83 1.67 10.43 -1.26 -4.96 116.55 110.37 2kh2 n ASP 76 Ca -0.21 0.45 -0.20 0.00 2.57 0.00 0.00 54.79 57.41 2kh2 n ASP 76 Cb 0.64 -4.55 -0.17 0.00 1.84 0.00 0.00 41.12 38.89 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 2kh2 s LYS 77 N -3.55 0.55 0.01 -1.24 2.47 -1.01 -5.11 119.74 111.86 2kh2 s LYS 77 Ca 0.00 0.03 -0.30 0.00 -1.56 0.00 0.00 55.97 54.14 2kh2 s LYS 77 Cb 0.00 -0.73 -0.08 0.00 -1.46 0.00 0.00 37.83 35.57 2kh2 s LYS 77 CO 0.00 -0.16 1.87 -2.14 0.16 0.00 0.00 175.35 175.08 2kh2 s PRO 78 N 1.24 4.15 0.03 4.03 0.02 -1.26 -0.38 135.00 142.84 2kh2 s PRO 78 Ca -0.06 2.48 0.04 0.00 0.02 0.00 0.00 61.00 63.47 2kh2 s PRO 78 Cb -0.13 -4.11 -0.02 0.00 0.02 0.00 0.00 34.50 30.26 2kh2 s PRO 78 CO -0.02 -0.92 -0.11 0.99 -0.33 0.00 0.00 177.00 176.61 2kh2 s THR 79 N 4.33 0.87 0.21 0.99 2.01 0.15 -4.72 115.64 119.48 2kh2 s THR 79 Ca 0.84 -0.83 -0.18 0.00 0.31 0.00 0.00 61.69 61.83 2kh2 s THR 79 Cb -0.40 -0.80 -0.08 0.00 0.01 0.00 0.00 72.50 71.24 2kh2 s THR 79 CO 0.38 -0.02 0.69 -0.22 -0.69 0.00 0.00 174.62 174.76 2kh2 s LEU 80 N -0.95 4.32 0.25 4.42 2.96 -1.26 -1.96 118.68 126.47 2kh2 s LEU 80 Ca -0.00 1.35 -0.15 0.00 -0.22 0.00 0.00 54.13 55.10 2kh2 s LEU 80 Cb -0.07 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.07 2kh2 s LEU 80 CO 0.01 0.03 0.54 0.00 -1.32 0.00 0.00 176.35 175.61 2kh2 s GLN 81 N -2.03 1.58 -0.36 1.98 -2.07 -0.22 -4.88 119.66 113.64 2kh2 s GLN 81 Ca 0.43 -1.13 -0.12 0.00 -1.82 0.00 0.00 55.36 52.71 2kh2 s GLN 81 Cb -0.16 0.51 0.01 0.00 -1.09 0.00 0.00 33.01 32.28 2kh2 s GLN 81 CO 0.20 -0.67 0.23 -0.51 -1.32 0.00 0.00 175.29 173.22 2kh2 s LEU 82 N -2.97 4.67 -0.17 2.60 2.01 -1.26 -0.25 118.68 123.30 2kh2 s LEU 82 Ca 0.18 -0.74 -0.06 0.00 0.01 0.00 0.00 54.13 53.51 2kh2 s LEU 82 Cb -0.02 -2.08 -0.04 0.00 0.01 0.00 0.00 46.19 44.06 2kh2 s LEU 82 CO 0.07 -0.33 0.05 -0.70 1.01 0.00 0.00 176.35 176.44 2kh2 s GLU 83 N 1.64 3.81 0.03 1.70 2.12 0.08 -4.91 118.70 123.17 2kh2 s GLU 83 Ca 0.04 -0.36 -0.25 0.00 0.36 0.00 0.00 54.97 54.77 2kh2 s GLU 83 Cb -0.18 -3.13 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 2kh2 s GLU 83 CO 0.08 0.34 0.76 -1.12 -0.54 0.00 0.00 175.26 174.79 2kh2 s SER 84 N 0.16 7.18 0.25 -1.70 0.01 -1.26 -1.46 113.70 116.88 2kh2 s SER 84 Ca 0.04 1.41 0.08 0.00 1.31 0.00 0.00 55.95 58.79 2kh2 s SER 84 Cb -0.12 -2.46 -0.05 0.00 0.21 0.00 0.00 66.02 63.59 2kh2 s SER 84 CO 0.01 -0.01 -0.11 0.68 0.41 0.00 0.00 173.24 174.22 2kh2 s VAL 85 N 0.08 1.81 -0.01 3.43 -7.23 -0.34 -5.00 120.40 113.14 2kh2 s VAL 85 Ca 0.39 -2.20 -0.34 0.00 -1.81 0.00 0.00 61.98 58.01 2kh2 s VAL 85 Cb -0.20 -2.28 -0.13 0.00 0.56 0.00 0.00 36.38 34.34 2kh2 s VAL 85 CO 0.22 -0.43 1.76 -0.67 -0.31 0.00 0.00 175.10 175.67 2kh2 n ASP 86 N -0.51 3.24 0.27 4.85 2.03 -1.26 -4.84 116.55 120.32 2kh2 n ASP 86 Ca -0.06 1.02 0.14 0.00 0.52 0.00 0.00 54.79 56.40 2kh2 n ASP 86 Cb 0.62 -1.38 0.78 0.00 -0.72 0.00 0.00 41.12 40.42 2kh2 n ASP 86 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2kh2 h PRO 87 N 7.89 0.00 0.00 -0.67 0.13 -1.94 -2.52 132.00 134.89 2kh2 h PRO 87 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 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 0.92 0.09 -1.74 0.36 -0.23 0.00 0.00 178.00 177.40 2kh2 n LYS 88 N -3.63 0.55 -0.05 0.86 2.85 -1.26 -4.32 118.16 113.16 2kh2 n LYS 88 Ca -0.02 -0.15 0.12 0.00 -1.05 0.00 0.00 58.31 57.21 2kh2 n LYS 88 Cb 0.21 -1.40 0.34 0.00 -0.65 0.00 0.00 35.03 33.53 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 -2.07 2.18 -4.07 -5.58 4.13 -1.14 -4.89 115.26 103.83 2kh2 n ASN 89 Ca -0.03 -1.74 -0.12 0.00 1.68 0.00 0.00 54.58 54.36 2kh2 n ASN 89 Cb 0.44 -0.06 -0.11 0.00 -1.54 0.00 0.00 39.78 38.50 2kh2 n ASN 89 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2kh2 s TYR 90 N -1.87 0.67 0.87 3.10 1.51 -0.96 -4.50 117.35 116.17 2kh2 s TYR 90 Ca 0.34 -0.56 -0.12 0.00 -1.01 0.00 0.00 57.07 55.72 2kh2 s TYR 90 Cb 0.20 -0.40 0.15 0.00 -0.11 0.00 0.00 41.96 41.79 2kh2 s TYR 90 CO 0.31 -0.10 1.22 -1.25 -1.11 0.00 0.00 175.55 174.61 2kh2 s PRO 91 N -1.88 1.24 0.04 -1.71 0.04 -1.26 -4.82 135.00 126.65 2kh2 s PRO 91 Ca -0.07 -0.35 -0.01 0.00 0.04 0.00 0.00 61.00 60.61 2kh2 s PRO 91 Cb -0.08 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2kh2 s PRO 91 CO -0.00 -1.98 -0.03 -1.59 0.04 0.00 0.00 177.00 173.43 2kh2 s LYS 92 N -5.66 0.55 0.12 4.56 -2.85 -1.26 -5.06 119.74 110.13 2kh2 s LYS 92 Ca 0.69 -1.07 -0.15 0.00 -1.00 0.00 0.00 55.97 54.44 2kh2 s LYS 92 Cb -0.06 0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 35.83 2kh2 s LYS 92 CO 0.50 -0.09 1.53 -0.22 0.10 0.00 0.00 175.35 177.17 2kh2 h LYS 93 N 3.52 0.71 -3.83 1.78 3.64 -1.98 -3.36 116.57 117.05 2kh2 h LYS 93 Ca -0.34 -0.26 -0.75 0.00 -1.27 0.00 0.00 60.65 58.03 2kh2 h LYS 93 Cb 1.16 -0.04 -0.29 0.00 -0.41 0.00 0.00 32.23 32.64 2kh2 h LYS 93 CO 0.60 0.85 -0.12 0.21 -2.27 0.00 0.00 179.45 178.72 2kh2 s LYS 94 N -4.83 3.13 0.67 1.90 2.47 -1.26 -2.52 119.74 119.30 2kh2 s LYS 94 Ca -0.13 -2.35 -0.04 0.00 -1.56 0.00 0.00 55.97 51.89 2kh2 s LYS 94 Cb 0.10 -4.16 0.06 0.00 -1.46 0.00 0.00 37.83 32.37 2kh2 s LYS 94 CO 0.80 -1.25 0.95 -1.64 0.16 0.00 0.00 175.35 174.37 2kh2 s MET 95 N 0.33 2.21 0.60 4.03 -1.94 -1.26 -5.05 119.30 118.22 2kh2 s MET 95 Ca 0.15 -0.51 -0.18 0.00 -1.71 0.00 0.00 55.69 53.44 2kh2 s MET 95 Cb -0.16 -2.27 -0.03 0.00 2.01 0.00 0.00 34.83 34.37 2kh2 s MET 95 CO -0.05 -1.13 1.18 -1.21 -0.01 0.00 0.00 175.02 173.80 2kh2 s GLU 96 N -5.11 2.97 0.59 2.03 8.01 -1.26 -4.89 118.70 121.04 2kh2 s GLU 96 Ca 0.60 1.73 0.39 0.00 0.01 0.00 0.00 54.97 57.71 2kh2 s GLU 96 Cb -0.10 -1.94 2.09 0.00 -4.31 0.00 0.00 34.13 29.87 2kh2 s GLU 96 CO 0.43 -1.19 2.20 -0.22 0.01 0.00 0.00 175.26 176.50 2kh2 h LYS 97 N 0.77 0.00 -0.00 1.61 3.64 -1.97 0.93 116.57 121.56 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 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2kh2 h LYS 97 CO 0.55 0.00 -0.09 2.89 -2.27 0.00 0.00 179.45 180.53 2kh2 n ARG 98 N -2.93 0.13 -0.03 1.90 1.85 -1.26 -3.11 116.66 113.21 2kh2 n ARG 98 Ca -0.02 -0.02 0.04 0.00 -1.00 0.00 0.00 57.85 56.84 2kh2 n ARG 98 Cb 0.09 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.06 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 -1.41 0.08 -3.61 2.89 3.72 0.30 -0.58 117.46 118.86 2kh2 n PHE 99 Ca 0.09 -0.13 -0.37 0.00 -0.05 0.00 0.00 57.45 56.98 2kh2 n PHE 99 Cb 0.32 -0.01 -0.10 0.00 -0.94 0.00 0.00 39.48 38.75 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 -0.74 5.32 0.10 -4.37 1.01 -1.09 -4.24 120.40 116.38 2kh2 s VAL 100 Ca 0.11 0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.34 2kh2 s VAL 100 Cb 0.07 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2kh2 s VAL 100 CO 0.10 0.28 -0.06 -0.36 0.00 0.00 0.00 175.10 175.07 2kh2 s PHE 101 N 1.50 2.85 -0.42 5.22 0.08 -0.01 -2.26 117.98 124.94 2kh2 s PHE 101 Ca 0.07 -0.10 -0.10 0.00 0.12 0.00 0.00 56.93 56.92 2kh2 s PHE 101 Cb -0.15 -1.48 0.07 0.00 -0.57 0.00 0.00 43.02 40.89 2kh2 s PHE 101 CO 0.09 0.45 0.27 -0.80 -0.10 0.00 0.00 175.22 175.13 2kh2 s ASN 102 N -2.26 5.71 -0.68 1.36 0.02 0.19 -1.01 114.94 118.27 2kh2 s ASN 102 Ca 0.23 -1.42 -0.27 0.00 -1.02 0.00 0.00 52.86 50.38 2kh2 s ASN 102 Cb -0.11 -2.02 0.02 0.00 0.02 0.00 0.00 41.25 39.16 2kh2 s ASN 102 CO 0.16 -0.53 1.36 -0.75 0.02 0.00 0.00 177.10 177.36 2kh2 s LYS 103 N 1.47 3.17 0.13 -0.60 2.20 0.51 -1.36 119.74 125.25 2kh2 s LYS 103 Ca 0.03 0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 55.37 2kh2 s LYS 103 Cb -0.23 -4.18 -0.06 0.00 -1.51 0.00 0.00 37.83 31.85 2kh2 s LYS 103 CO 0.03 -2.14 1.00 0.42 -0.36 0.00 0.00 175.35 174.30 2kh2 s ILE 104 N 6.13 4.31 -0.93 5.43 1.01 0.99 -1.11 121.20 137.02 2kh2 s ILE 104 Ca 0.43 1.95 -0.00 0.00 0.00 0.00 0.00 60.65 63.02 2kh2 s ILE 104 Cb -0.09 -4.24 0.29 0.00 0.01 0.00 0.00 42.46 38.43 2kh2 s ILE 104 CO 0.18 0.32 1.27 1.21 0.00 0.00 0.00 174.94 177.92 2kh2 n GLU 105 N 2.62 3.92 0.14 2.79 4.07 0.59 -2.80 120.64 131.97 2kh2 n GLU 105 Ca 0.02 -4.61 -0.06 0.00 -0.06 0.00 0.00 57.16 52.45 2kh2 n GLU 105 Cb 0.48 -2.42 -0.03 0.00 -0.06 0.00 0.00 31.44 29.41 2kh2 n GLU 105 CO 0.00 0.00 0.00 -0.84 -0.06 0.00 0.00 177.13 176.23 2kh2 h ILE 106 N 3.26 0.00 0.00 6.31 3.07 -1.84 -3.47 117.51 124.84 2kh2 h ILE 106 Ca 0.22 -0.11 0.00 0.00 1.55 0.00 0.00 64.86 66.51 2kh2 h ILE 106 Cb 0.60 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.15 2kh2 h ILE 106 CO 1.16 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.80 2kh2 n ASN 107 N -3.32 0.00 0.12 2.16 0.23 -1.26 -4.99 115.26 108.19 2kh2 n ASN 107 Ca -0.05 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.13 2kh2 n ASN 107 Cb 0.15 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 38.13 2kh2 n ASN 107 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2kh2 h ASN 108 N 0.00 0.00 -2.34 0.53 -1.07 -1.99 -3.45 115.58 107.25 2kh2 h ASN 108 Ca 0.00 -0.05 -0.60 0.00 0.07 0.00 0.00 56.30 55.72 2kh2 h ASN 108 Cb 0.00 0.00 -0.14 0.00 -2.07 0.00 0.00 38.32 36.11 2kh2 h ASN 108 CO 0.00 0.03 -0.76 -1.59 0.07 0.00 0.00 177.43 175.18 2kh2 s LYS 109 N -3.15 1.64 0.13 4.14 0.00 -1.26 -4.92 119.74 116.31 2kh2 s LYS 109 Ca 0.08 -1.74 0.10 0.00 0.00 0.00 0.00 55.97 54.41 2kh2 s LYS 109 Cb 0.11 -1.71 -0.04 0.00 0.00 0.00 0.00 37.83 36.19 2kh2 s LYS 109 CO 0.65 0.32 -0.26 -0.51 0.00 0.00 0.00 175.35 175.55 2kh2 s LEU 110 N -3.46 2.32 0.13 2.77 1.43 0.08 -4.02 118.68 117.93 2kh2 s LEU 110 Ca 0.29 -0.74 0.09 0.00 -1.03 0.00 0.00 54.13 52.74 2kh2 s LEU 110 Cb -0.05 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 2kh2 s LEU 110 CO 0.14 0.15 -0.22 -1.61 0.23 0.00 0.00 176.35 175.04 2kh2 s GLU 111 N -2.06 1.26 -0.28 1.70 2.02 -1.12 0.35 118.70 120.57 2kh2 s GLU 111 Ca 0.13 -1.30 0.03 0.00 0.02 0.00 0.00 54.97 53.85 2kh2 s GLU 111 Cb -0.10 -1.53 0.07 0.00 0.10 0.00 0.00 34.13 32.67 2kh2 s GLU 111 CO 0.06 0.34 -0.07 -0.06 0.02 0.00 0.00 175.26 175.55 2kh2 s PHE 112 N -1.42 3.39 0.14 1.61 0.40 -1.26 -0.01 117.98 120.83 2kh2 s PHE 112 Ca 0.12 -2.48 -0.06 0.00 -0.60 0.00 0.00 56.93 53.91 2kh2 s PHE 112 Cb -0.09 -2.17 -0.06 0.00 0.51 0.00 0.00 43.02 41.21 2kh2 s PHE 112 CO 0.06 -0.89 0.39 -2.00 0.70 0.00 0.00 175.22 173.47 2kh2 s GLU 113 N 1.06 3.65 -0.05 0.44 2.12 -0.47 -1.83 118.70 123.63 2kh2 s GLU 113 Ca -0.04 -0.02 -0.23 0.00 0.36 0.00 0.00 54.97 55.03 2kh2 s GLU 113 Cb -0.20 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.29 2kh2 s GLU 113 CO -0.06 0.48 0.70 0.45 -0.54 0.00 0.00 175.26 176.29 2kh2 s SER 114 N -2.30 7.01 0.27 -1.70 0.15 0.15 0.52 113.70 117.81 2kh2 s SER 114 Ca 0.40 1.22 0.05 0.00 0.70 0.00 0.00 55.95 58.32 2kh2 s SER 114 Cb -0.12 -2.42 0.35 0.00 -1.71 0.00 0.00 66.02 62.12 2kh2 s SER 114 CO 0.23 -0.08 1.64 0.00 1.20 0.00 0.00 173.24 176.22 2kh2 h ALA 115 N 6.54 0.98 -0.58 5.45 0.00 -1.66 -2.95 119.26 127.05 2kh2 h ALA 115 Ca -0.42 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 53.95 2kh2 h ALA 115 Cb 1.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2kh2 h ALA 115 CO 0.74 0.65 0.07 0.37 0.00 0.00 0.00 179.25 181.08 2kh2 h GLN 116 N 0.21 0.98 -3.72 0.00 5.75 -1.77 -3.39 115.11 113.18 2kh2 h GLN 116 Ca 0.01 -0.28 -0.62 0.00 -0.15 0.00 0.00 58.65 57.62 2kh2 h GLN 116 Cb 0.94 -0.11 -0.40 0.00 1.07 0.00 0.00 27.48 28.98 2kh2 h GLN 116 CO 0.08 0.94 -0.73 -0.06 -2.65 0.00 0.00 178.83 176.41 2kh2 s PHE 117 N -5.15 2.49 0.50 3.99 0.08 -1.12 -5.09 117.98 113.69 2kh2 s PHE 117 Ca -0.12 -2.40 -0.23 0.00 0.12 0.00 0.00 56.93 54.30 2kh2 s PHE 117 Cb 0.13 -2.21 -0.06 0.00 -0.57 0.00 0.00 43.02 40.31 2kh2 s PHE 117 CO 0.83 -0.86 1.39 -2.14 -0.10 0.00 0.00 175.22 174.34 2kh2 s PRO 118 N 0.93 3.38 0.00 0.24 0.02 -1.20 -2.26 135.00 136.11 2kh2 s PRO 118 Ca 0.13 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.47 2kh2 s PRO 118 Cb -0.20 -2.43 0.00 0.00 0.02 0.00 0.00 34.50 31.88 2kh2 s PRO 118 CO -0.12 -1.03 0.00 0.09 -0.33 0.00 0.00 177.00 175.61 2kh2 n ASN 119 N -0.66 -0.52 -4.38 2.53 5.03 -1.26 -4.99 115.26 111.00 2kh2 n ASN 119 Ca 0.08 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.16 2kh2 n ASN 119 Cb 0.44 -0.47 -0.13 0.00 -1.02 0.00 0.00 39.78 38.60 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 -3.29 3.11 0.29 3.10 0.52 -0.96 -4.40 118.94 117.31 2kh2 s TRP 120 Ca 0.00 -0.74 0.11 0.00 0.02 0.00 0.00 56.10 55.49 2kh2 s TRP 120 Cb 0.00 -2.24 -0.05 0.00 -1.15 0.00 0.00 33.47 30.03 2kh2 s TRP 120 CO 0.00 -0.48 -0.11 0.71 0.02 0.00 0.00 176.95 177.09 2kh2 s TYR 121 N 1.55 2.45 -0.07 -1.98 1.51 0.53 -0.67 117.35 120.67 2kh2 s TYR 121 Ca 0.05 -0.32 -0.30 0.00 -1.01 0.00 0.00 57.07 55.49 2kh2 s TYR 121 Cb -0.16 -1.14 -0.05 0.00 -0.11 0.00 0.00 41.96 40.50 2kh2 s TYR 121 CO 0.03 0.65 1.58 0.42 -1.11 0.00 0.00 175.55 177.12 2kh2 s ILE 122 N -2.46 3.69 0.20 2.71 1.01 -0.76 -0.38 121.20 125.21 2kh2 s ILE 122 Ca 0.31 0.85 0.11 0.00 0.00 0.00 0.00 60.65 61.92 2kh2 s ILE 122 Cb -0.04 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2kh2 s ILE 122 CO 0.17 -0.07 -0.21 -0.44 0.00 0.00 0.00 174.94 174.39 2kh2 s SER 123 N 3.06 3.57 -0.02 3.58 0.01 0.16 -4.24 113.70 119.82 2kh2 s SER 123 Ca 0.70 -0.84 -0.02 0.00 1.31 0.00 0.00 55.95 57.09 2kh2 s SER 123 Cb -0.31 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.59 2kh2 s SER 123 CO 0.27 0.11 0.06 -0.89 0.41 0.00 0.00 173.24 173.20 2kh2 s THR 124 N -1.77 0.01 0.71 1.44 2.01 -0.43 -1.60 115.64 116.01 2kh2 s THR 124 Ca 0.22 -0.07 -0.11 0.00 0.31 0.00 0.00 61.69 62.05 2kh2 s THR 124 Cb -0.08 -0.12 0.02 0.00 0.01 0.00 0.00 72.50 72.34 2kh2 s THR 124 CO 0.11 -0.04 1.08 -0.44 -0.69 0.00 0.00 174.62 174.64 2kh2 s SER 125 N -0.08 5.29 0.28 3.53 0.01 -1.26 -0.02 113.70 121.45 2kh2 s SER 125 Ca -0.01 1.35 0.09 0.00 1.31 0.00 0.00 55.95 58.69 2kh2 s SER 125 Cb -0.01 -2.19 0.39 0.00 0.21 0.00 0.00 66.02 64.42 2kh2 s SER 125 CO 0.00 -1.46 1.64 1.56 0.41 0.00 0.00 173.24 175.39 2kh2 h GLN 126 N -0.74 0.06 -7.18 12.44 1.08 -1.98 -3.45 115.11 115.34 2kh2 h GLN 126 Ca -0.45 -0.04 -0.54 0.00 -1.45 0.00 0.00 58.65 56.17 2kh2 h GLN 126 Cb 1.24 0.00 0.17 0.00 -0.05 0.00 0.00 27.48 28.84 2kh2 h GLN 126 CO 0.60 0.61 0.39 0.00 -0.95 0.00 0.00 178.83 179.48 2kh2 s ALA 127 N -3.76 2.01 0.32 3.87 0.00 -1.26 -4.99 121.76 117.95 2kh2 s ALA 127 Ca -0.02 0.92 -0.18 0.00 0.00 0.00 0.00 51.96 52.68 2kh2 s ALA 127 Cb 0.13 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 2kh2 s ALA 127 CO 0.76 -2.06 0.80 -2.00 0.00 0.00 0.00 175.76 173.26 2kh2 s GLU 128 N -3.94 4.16 -1.22 0.00 2.56 -1.26 -3.98 118.70 115.02 2kh2 s GLU 128 Ca 0.75 0.87 -0.01 0.00 0.00 0.00 0.00 54.97 56.58 2kh2 s GLU 128 Cb -0.30 -2.51 0.00 0.00 2.00 0.00 0.00 34.13 33.32 2kh2 s GLU 128 CO 0.47 0.18 0.17 -1.71 -0.56 0.00 0.00 175.26 173.81 2kh2 n ASN 129 N -0.10 -4.64 -4.87 -1.70 5.15 -0.99 -5.00 115.26 103.10 2kh2 n ASN 129 Ca 0.03 -0.09 -0.36 0.00 -0.60 0.00 0.00 54.58 53.56 2kh2 n ASN 129 Cb 0.53 -3.68 -0.06 0.00 -0.53 0.00 0.00 39.78 36.04 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 -4.98 3.64 1.00 1.20 -1.94 -1.21 -4.82 119.30 112.20 2kh2 s MET 130 Ca 0.08 0.07 -0.13 0.00 -1.71 0.00 0.00 55.69 54.00 2kh2 s MET 130 Cb -0.04 -3.15 0.19 0.00 2.01 0.00 0.00 34.83 33.84 2kh2 s MET 130 CO 0.10 0.70 1.11 -2.14 -0.01 0.00 0.00 175.02 174.78 2kh2 s PRO 131 N -1.31 0.39 -0.20 2.03 0.02 -1.26 -1.30 135.00 133.37 2kh2 s PRO 131 Ca 0.22 0.40 -0.08 0.00 0.02 0.00 0.00 61.00 61.56 2kh2 s PRO 131 Cb -0.14 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 2kh2 s PRO 131 CO 0.11 -2.73 0.09 0.08 -0.33 0.00 0.00 177.00 174.22 2kh2 s VAL 132 N -3.04 4.99 0.26 3.83 1.01 -1.19 -4.50 120.40 121.76 2kh2 s VAL 132 Ca 0.66 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.73 2kh2 s VAL 132 Cb -0.17 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 2kh2 s VAL 132 CO 0.57 0.44 0.19 2.22 0.00 0.00 0.00 175.10 178.51 2kh2 n PHE 133 N 3.69 -0.46 -3.90 5.22 -1.74 -0.63 -4.87 117.46 114.77 2kh2 n PHE 133 Ca -0.16 -2.08 -0.35 0.00 -0.56 0.00 0.00 57.45 54.30 2kh2 n PHE 133 Cb 0.52 0.18 -0.09 0.00 1.52 0.00 0.00 39.48 41.60 2kh2 n PHE 133 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2kh2 s LEU 134 N 0.00 3.95 0.17 5.98 2.96 -1.26 0.40 118.68 130.87 2kh2 s LEU 134 Ca 0.27 0.13 0.06 0.00 -0.22 0.00 0.00 54.13 54.37 2kh2 s LEU 134 Cb 0.01 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 2kh2 s LEU 134 CO 0.19 0.17 -0.13 -0.83 -1.32 0.00 0.00 176.35 174.43 2kh2 s GLY 135 N 0.40 1.24 -0.19 7.98 0.00 0.49 -4.84 107.32 112.39 2kh2 s GLY 135 Ca 0.05 -1.52 0.15 0.00 0.00 0.00 0.00 44.72 43.40 2kh2 s GLY 135 CO -0.00 -1.60 1.33 0.61 0.00 0.00 0.00 173.10 173.44 2kh2 n GLY 136 N -0.08 4.60 2.87 0.20 0.00 -1.26 -0.34 105.19 111.17 2kh2 n GLY 136 Ca -0.11 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 2kh2 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kh2 s THR 137 N -2.98 2.07 0.00 2.61 2.01 -1.26 -4.92 115.64 113.17 2kh2 s THR 137 Ca 0.39 -2.82 -0.29 0.00 0.31 0.00 0.00 61.69 59.28 2kh2 s THR 137 Cb 0.34 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 2kh2 s THR 137 CO 0.03 -0.79 0.94 -0.75 -0.69 0.00 0.00 174.62 173.36 2kh2 s LYS 138 N 0.20 4.56 -1.01 4.92 2.20 -1.26 -3.59 119.74 125.75 2kh2 s LYS 138 Ca 0.16 1.34 0.00 0.00 -0.36 0.00 0.00 55.97 57.11 2kh2 s LYS 138 Cb -0.24 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 2kh2 s LYS 138 CO -0.03 -0.00 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 2kh2 n GLY 139 N 2.85 0.46 0.00 5.54 0.00 -1.26 -4.98 105.19 107.80 2kh2 n GLY 139 Ca 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.28 0.78 0.04 -0.02 0.00 -1.24 -5.04 105.19 98.43 2kh2 n GLY 140 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -6.97 1.61 7.50 -1.94 -3.47 115.11 111.84 2kh2 h GLN 141 Ca 0.00 0.00 -0.51 0.00 0.50 0.00 0.00 58.65 58.64 2kh2 h GLN 141 Cb 0.00 0.00 0.06 0.00 0.05 0.00 0.00 27.48 27.59 2kh2 h GLN 141 CO 0.00 0.00 0.49 -0.51 -1.50 0.00 0.00 178.83 177.31 2kh2 s ASP 142 N -4.98 6.36 -0.08 1.46 1.01 -1.26 -4.69 116.67 114.48 2kh2 s ASP 142 Ca -0.03 2.31 -0.30 0.00 0.71 0.00 0.00 52.55 55.24 2kh2 s ASP 142 Cb 0.00 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 2kh2 s ASP 142 CO 0.05 -0.79 1.04 -0.63 0.21 0.00 0.00 175.17 175.05 2kh2 s ILE 143 N -1.49 4.70 -0.22 0.77 1.01 0.98 -4.54 121.20 122.40 2kh2 s ILE 143 Ca 0.60 1.97 0.13 0.00 0.00 0.00 0.00 60.65 63.35 2kh2 s ILE 143 Cb -0.29 -4.26 -0.19 0.00 0.01 0.00 0.00 42.46 37.73 2kh2 s ILE 143 CO 0.36 0.03 0.38 0.35 0.00 0.00 0.00 174.94 176.06 2kh2 n THR 144 N 4.46 0.00 -3.79 2.92 -2.24 -1.26 -1.32 114.28 113.06 2kh2 n THR 144 Ca 0.09 -0.27 -0.31 0.00 -2.27 0.00 0.00 64.05 61.28 2kh2 n THR 144 Cb 0.49 0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 69.14 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 -3.11 6.43 0.23 3.42 -4.77 -1.26 -4.19 116.67 113.42 2kh2 s ASP 145 Ca -0.02 0.45 0.00 0.00 -3.30 0.00 0.00 52.55 49.68 2kh2 s ASP 145 Cb 0.09 -2.03 -0.04 0.00 -1.09 0.00 0.00 42.92 39.85 2kh2 s ASP 145 CO 0.55 0.11 0.13 -0.36 0.70 0.00 0.00 175.17 176.31 2kh2 s PHE 146 N -1.58 1.31 -0.04 2.11 0.08 0.16 -4.02 117.98 116.00 2kh2 s PHE 146 Ca 0.38 -1.35 0.06 0.00 0.12 0.00 0.00 56.93 56.14 2kh2 s PHE 146 Cb -0.13 -0.67 -0.02 0.00 -0.57 0.00 0.00 43.02 41.63 2kh2 s PHE 146 CO 0.26 -0.57 -0.21 0.95 -0.10 0.00 0.00 175.22 175.54 2kh2 s THR 147 N -3.99 2.45 -0.31 0.64 -4.23 0.15 -0.74 115.64 109.61 2kh2 s THR 147 Ca 0.39 -0.95 -0.17 0.00 -1.18 0.00 0.00 61.69 59.77 2kh2 s THR 147 Cb 0.07 -1.90 -0.02 0.00 1.34 0.00 0.00 72.50 71.99 2kh2 s THR 147 CO 0.14 0.58 0.47 -0.32 -0.54 0.00 0.00 174.62 174.94 2kh2 s MET 148 N -0.60 3.83 -0.31 3.99 1.75 -1.26 -2.55 119.30 124.14 2kh2 s MET 148 Ca 0.09 -0.01 0.00 0.00 -1.25 0.00 0.00 55.69 54.53 2kh2 s MET 148 Cb -0.11 -3.73 0.07 0.00 2.84 0.00 0.00 34.83 33.91 2kh2 s MET 148 CO 0.00 -0.47 0.01 -0.65 -0.65 0.00 0.00 175.02 173.27 2kh2 s GLN 149 N 2.26 2.12 0.15 4.11 1.11 -0.51 -4.97 119.66 123.93 2kh2 s GLN 149 Ca 0.18 -1.50 -0.31 0.00 0.01 0.00 0.00 55.36 53.74 2kh2 s GLN 149 Cb -0.16 -3.17 -0.08 0.00 -1.01 0.00 0.00 33.01 28.59 2kh2 s GLN 149 CO 0.11 -0.74 1.34 -0.06 0.01 0.00 0.00 175.29 175.94 2kh2 s PHE 150 N 1.12 3.27 0.47 0.91 0.08 -1.26 -0.21 117.98 122.36 2kh2 s PHE 150 Ca -0.01 1.10 0.05 0.00 0.12 0.00 0.00 56.93 58.20 2kh2 s PHE 150 Cb -0.20 -3.62 -0.02 0.00 -0.57 0.00 0.00 43.02 38.60 2kh2 s PHE 150 CO -0.04 -2.05 0.15 0.14 -0.10 0.00 0.00 175.22 173.31 2kh2 s VAL 151 N 0.66 1.77 -1.26 -0.44 -7.23 -1.22 -4.92 120.40 107.75 2kh2 s VAL 151 Ca 0.60 -1.79 -0.18 0.00 -1.81 0.00 0.00 61.98 58.80 2kh2 s VAL 151 Cb -0.36 -2.56 0.07 0.00 0.56 0.00 0.00 36.38 34.09 2kh2 s VAL 151 CO 0.34 0.00 1.70 -0.94 -0.31 0.00 0.00 175.10 175.88 2kh2 s SER 152 N -3.95 6.81 0.00 4.85 1.04 -1.26 -4.87 113.70 116.32 2kh2 s SER 152 Ca 0.28 -2.34 0.00 0.00 0.48 0.00 0.00 55.95 54.36 2kh2 s SER 152 Cb 0.03 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2kh2 s SER 152 CO 0.16 -1.20 0.00 -1.20 0.98 0.00 0.00 173.24 171.98