#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 0.43 -5.18 0.00 0.13 -2.07 -3.42 132.00 121.88 2kh2 h PRO 2 Ca 0.00 -0.22 -0.67 0.00 -0.87 0.00 0.00 66.00 64.24 2kh2 h PRO 2 Cb 0.00 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 30.82 2kh2 h PRO 2 CO 0.00 0.78 -0.81 0.54 -0.23 0.00 0.00 178.00 178.28 2kh2 s VAL 3 N -4.16 2.57 0.21 1.56 0.11 -1.26 -5.08 120.40 114.35 2kh2 s VAL 3 Ca -0.06 -0.80 -0.22 0.00 -2.93 0.00 0.00 61.98 57.97 2kh2 s VAL 3 Cb 0.13 -2.08 -0.08 0.00 -1.53 0.00 0.00 36.38 32.81 2kh2 s VAL 3 CO 0.80 0.52 0.75 -0.13 -3.33 0.00 0.00 175.10 173.72 2kh2 s ARG 4 N 0.88 4.39 -0.02 1.54 0.52 -1.26 -4.91 118.95 120.08 2kh2 s ARG 4 Ca -0.04 1.00 -0.19 0.00 -0.52 0.00 0.00 55.73 55.98 2kh2 s ARG 4 Cb -0.15 -3.02 0.04 0.00 0.52 0.00 0.00 34.95 32.34 2kh2 s ARG 4 CO -0.01 0.46 0.41 -1.54 0.02 0.00 0.00 175.30 174.63 2kh2 s SER 5 N -1.45 -0.32 0.24 0.23 1.04 -1.26 -1.08 113.70 111.09 2kh2 s SER 5 Ca 0.40 0.26 -0.05 0.00 0.48 0.00 0.00 55.95 57.04 2kh2 s SER 5 Cb -0.19 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.28 2kh2 s SER 5 CO 0.23 -0.49 0.31 -1.48 0.98 0.00 0.00 173.24 172.79 2kh2 s LEU 6 N -1.28 0.83 -0.06 2.42 0.05 -1.06 -4.99 118.68 114.58 2kh2 s LEU 6 Ca -0.13 -1.23 0.04 0.00 0.05 0.00 0.00 54.13 52.86 2kh2 s LEU 6 Cb -0.04 1.04 -0.02 0.00 -2.05 0.00 0.00 46.19 45.13 2kh2 s LEU 6 CO 0.06 -1.01 -0.19 0.20 -0.55 0.00 0.00 176.35 174.85 2kh2 s ASN 7 N -3.12 3.58 0.20 1.48 0.01 -1.26 -1.65 114.94 114.18 2kh2 s ASN 7 Ca 0.32 -0.36 -0.09 0.00 -0.71 0.00 0.00 52.86 52.01 2kh2 s ASN 7 Cb 0.03 -0.93 -0.01 0.00 0.41 0.00 0.00 41.25 40.75 2kh2 s ASN 7 CO 0.12 0.28 0.34 0.00 -1.51 0.00 0.00 177.10 176.33 2kh2 s THR 9 N -4.02 1.85 -0.01 0.00 -4.23 0.96 -0.36 115.64 109.83 2kh2 s THR 9 Ca 0.23 -0.91 -0.20 0.00 -1.18 0.00 0.00 61.69 59.63 2kh2 s THR 9 Cb 0.02 -1.60 -0.05 0.00 1.34 0.00 0.00 72.50 72.21 2kh2 s THR 9 CO 0.06 0.51 0.58 -0.76 -0.54 0.00 0.00 174.62 174.47 2kh2 s LEU 10 N 0.29 4.41 -0.05 4.79 1.43 -1.26 -2.92 118.68 125.37 2kh2 s LEU 10 Ca -0.14 1.14 -0.02 0.00 -1.03 0.00 0.00 54.13 54.08 2kh2 s LEU 10 Cb -0.16 -2.90 0.03 0.00 0.03 0.00 0.00 46.19 43.19 2kh2 s LEU 10 CO 0.07 0.10 0.08 -0.13 0.23 0.00 0.00 176.35 176.70 2kh2 s ARG 11 N -0.17 -0.01 0.77 1.70 0.52 -1.26 -3.76 118.95 116.73 2kh2 s ARG 11 Ca 0.31 0.35 -0.13 0.00 -0.52 0.00 0.00 55.73 55.73 2kh2 s ARG 11 Cb -0.18 -0.32 0.18 0.00 0.52 0.00 0.00 34.95 35.15 2kh2 s ARG 11 CO 0.17 -0.24 0.86 -0.40 0.02 0.00 0.00 175.30 175.70 2kh2 n ASP 12 N 4.74 -0.80 0.06 0.23 5.75 -1.14 -1.54 116.55 123.85 2kh2 n ASP 12 Ca -0.16 -1.16 0.08 0.00 -0.01 0.00 0.00 54.79 53.54 2kh2 n ASP 12 Cb 0.50 -0.71 0.35 0.00 -1.03 0.00 0.00 41.12 40.23 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2kh2 n SER 13 N -3.94 0.27 -0.94 -1.12 3.41 -1.21 -1.06 113.62 109.03 2kh2 n SER 13 Ca 0.11 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 2kh2 n SER 13 Cb 0.41 -0.63 0.23 0.00 -0.26 0.00 0.00 64.21 63.96 2kh2 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kh2 n GLN 14 N -1.81 2.26 -2.12 4.33 6.02 -1.26 -4.93 117.38 119.86 2kh2 n GLN 14 Ca 0.02 -1.87 -0.13 0.00 -0.01 0.00 0.00 57.00 55.00 2kh2 n GLN 14 Cb 0.14 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.91 2kh2 n GLN 14 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2kh2 n GLN 15 N 1.15 -1.05 -2.55 -1.09 1.13 -0.22 -4.98 117.38 109.77 2kh2 n GLN 15 Ca 0.17 0.70 -0.28 0.00 -1.94 0.00 0.00 57.00 55.65 2kh2 n GLN 15 Cb 0.54 -4.92 -0.00 0.00 0.11 0.00 0.00 30.24 25.97 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 -4.43 3.58 0.38 -1.09 1.02 -1.26 -4.41 119.74 113.54 2kh2 s LYS 16 Ca 0.00 0.31 0.08 0.00 0.02 0.00 0.00 55.97 56.38 2kh2 s LYS 16 Cb 0.00 -2.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 2kh2 s LYS 16 CO 0.00 -0.24 0.19 -1.12 -0.92 0.00 0.00 175.35 173.27 2kh2 s SER 17 N -4.00 4.62 -0.20 2.83 0.01 0.79 -2.87 113.70 114.88 2kh2 s SER 17 Ca 0.49 -0.91 -0.08 0.00 1.31 0.00 0.00 55.95 56.76 2kh2 s SER 17 Cb -0.10 -0.59 -0.04 0.00 0.21 0.00 0.00 66.02 65.49 2kh2 s SER 17 CO 0.44 -0.46 0.09 -0.76 0.41 0.00 0.00 173.24 172.96 2kh2 s LEU 18 N -3.91 3.90 -0.01 2.44 2.01 -1.25 -1.81 118.68 120.05 2kh2 s LEU 18 Ca 0.41 0.08 0.03 0.00 0.01 0.00 0.00 54.13 54.66 2kh2 s LEU 18 Cb 0.00 -2.01 -0.01 0.00 0.01 0.00 0.00 46.19 44.19 2kh2 s LEU 18 CO 0.23 0.14 -0.09 -0.69 1.01 0.00 0.00 176.35 176.95 2kh2 s VAL 19 N 0.61 0.70 -0.17 -1.59 1.01 0.01 -1.85 120.40 119.11 2kh2 s VAL 19 Ca 0.05 -0.37 -0.27 0.00 0.00 0.00 0.00 61.98 61.39 2kh2 s VAL 19 Cb -0.13 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 2kh2 s VAL 19 CO 0.01 0.20 0.91 0.00 0.00 0.00 0.00 175.10 176.22 2kh2 s MET 20 N -0.16 4.31 0.00 2.72 0.23 -1.26 0.22 119.30 125.35 2kh2 s MET 20 Ca 0.03 1.16 0.30 0.00 -1.03 0.00 0.00 55.69 56.15 2kh2 s MET 20 Cb -0.04 -3.59 1.42 0.00 -1.53 0.00 0.00 34.83 31.09 2kh2 s MET 20 CO -0.00 -0.40 1.95 0.43 -2.03 0.00 0.00 175.02 174.97 2kh2 n SER 21 N 5.46 0.74 0.00 -1.18 7.64 -0.49 -4.89 113.62 120.91 2kh2 n SER 21 Ca 0.07 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.79 2kh2 n SER 21 Cb 0.48 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 2kh2 n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kh2 n GLY 22 N 1.12 -1.41 0.25 0.23 0.00 -1.18 -4.88 105.19 99.33 2kh2 n GLY 22 Ca 0.20 -0.99 -0.01 0.00 0.00 0.00 0.00 46.02 45.22 2kh2 n GLY 22 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kh2 h PRO 23 N 0.00 0.46 -0.12 1.61 0.11 -2.02 -3.14 132.00 128.89 2kh2 h PRO 23 Ca 0.00 -0.13 -0.12 0.00 0.11 0.00 0.00 66.00 65.86 2kh2 h PRO 23 Cb 0.00 -0.05 -0.15 0.00 0.11 0.00 0.00 31.00 30.91 2kh2 h PRO 23 CO 0.00 0.58 -0.67 0.66 -0.21 0.00 0.00 178.00 178.36 2kh2 n TYR 24 N -4.21 0.42 -4.02 0.65 4.01 -1.26 -4.97 117.16 107.78 2kh2 n TYR 24 Ca 0.00 -1.43 -0.13 0.00 -0.16 0.00 0.00 57.90 56.19 2kh2 n TYR 24 Cb 0.31 -0.24 -0.13 0.00 -0.31 0.00 0.00 39.34 38.97 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 -2.68 0.29 0.02 -0.72 2.12 -1.19 -4.38 118.70 112.16 2kh2 s GLU 25 Ca 0.39 -0.32 0.05 0.00 0.36 0.00 0.00 54.97 55.44 2kh2 s GLU 25 Cb 0.38 -0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.59 2kh2 s GLU 25 CO -0.07 0.03 -0.15 -1.17 -0.54 0.00 0.00 175.26 173.36 2kh2 s LEU 26 N -0.62 2.10 0.04 2.70 2.96 -1.26 -1.39 118.68 123.20 2kh2 s LEU 26 Ca -0.04 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 2kh2 s LEU 26 Cb -0.04 -0.70 -0.02 0.00 0.50 0.00 0.00 46.19 45.92 2kh2 s LEU 26 CO -0.00 0.11 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.33 2kh2 s LYS 27 N -0.77 0.48 -0.11 1.98 2.20 0.13 -1.99 119.74 121.67 2kh2 s LYS 27 Ca 0.04 -0.75 0.03 0.00 -0.36 0.00 0.00 55.97 54.93 2kh2 s LYS 27 Cb -0.07 -0.15 -0.00 0.00 -1.51 0.00 0.00 37.83 36.10 2kh2 s LYS 27 CO 0.00 0.01 -0.22 0.00 -0.36 0.00 0.00 175.35 174.78 2kh2 s ALA 28 N -1.59 2.24 0.06 3.13 0.00 -0.26 -0.81 121.76 124.53 2kh2 s ALA 28 Ca -0.10 -0.97 -0.18 0.00 0.00 0.00 0.00 51.96 50.71 2kh2 s ALA 28 Cb -0.09 -0.89 0.04 0.00 0.00 0.00 0.00 23.12 22.18 2kh2 s ALA 28 CO -0.01 0.25 0.41 -0.48 0.00 0.00 0.00 175.76 175.94 2kh2 s LEU 29 N 0.39 0.39 0.10 0.00 2.34 -0.75 -3.66 118.68 117.49 2kh2 s LEU 29 Ca -0.17 -0.07 -0.31 0.00 0.06 0.00 0.00 54.13 53.65 2kh2 s LEU 29 Cb -0.17 1.77 -0.10 0.00 -0.56 0.00 0.00 46.19 47.13 2kh2 s LEU 29 CO 0.07 -0.71 1.81 -1.00 -1.06 0.00 0.00 176.35 175.46 2kh2 s HIS 30 N -2.78 2.09 -0.32 3.48 3.76 -1.26 -0.15 115.29 120.11 2kh2 s HIS 30 Ca -0.03 -0.00 -0.01 0.00 -0.15 0.00 0.00 55.06 54.86 2kh2 s HIS 30 Cb -0.00 -4.14 0.11 0.00 1.11 0.00 0.00 32.58 29.66 2kh2 s HIS 30 CO -0.05 -4.74 0.13 -1.17 -0.85 0.00 0.00 174.74 168.06 2kh2 s LEU 31 N 2.96 1.99 -0.06 0.89 2.96 -1.26 -4.85 118.68 121.31 2kh2 s LEU 31 Ca 0.80 -1.74 -0.02 0.00 -0.22 0.00 0.00 54.13 52.95 2kh2 s LEU 31 Cb -0.44 -0.79 0.03 0.00 0.50 0.00 0.00 46.19 45.49 2kh2 s LEU 31 CO 0.36 -0.40 0.05 -1.58 -1.32 0.00 0.00 176.35 173.46 2kh2 s GLN 32 N 1.50 0.10 0.00 1.98 -0.44 -1.26 -4.82 119.66 116.72 2kh2 s GLN 32 Ca 0.11 0.28 0.00 0.00 -2.50 0.00 0.00 55.36 53.25 2kh2 s GLN 32 Cb -0.18 -0.71 0.00 0.00 -1.64 0.00 0.00 33.01 30.48 2kh2 s GLN 32 CO -0.22 -0.34 0.00 0.41 0.50 0.00 0.00 175.29 175.63 2kh2 n GLY 33 N 5.26 0.73 0.00 2.59 0.00 -1.26 -4.81 105.19 107.69 2kh2 n GLY 33 Ca -0.04 -1.61 0.15 0.00 0.00 0.00 0.00 46.02 44.51 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 0.79 -0.18 1.61 -0.06 -1.26 -2.88 117.38 115.39 2kh2 n GLN 34 Ca 0.00 0.00 0.07 0.00 -2.00 0.00 0.00 57.00 55.07 2kh2 n GLN 34 Cb 0.00 -1.50 0.19 0.00 -4.06 0.00 0.00 30.24 24.87 2kh2 n GLN 34 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 2kh2 n ASP 35 N -1.09 2.02 0.08 1.69 2.03 -1.26 -4.18 116.55 115.85 2kh2 n ASP 35 Ca 0.20 -1.97 0.17 0.00 0.52 0.00 0.00 54.79 53.71 2kh2 n ASP 35 Cb 0.14 -0.24 0.69 0.00 -0.72 0.00 0.00 41.12 40.99 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 2kh2 h MET 36 N 2.26 0.00 -0.51 -0.67 4.05 -1.86 -1.24 114.93 116.96 2kh2 h MET 36 Ca 0.00 0.00 0.15 0.00 -0.28 0.00 0.00 59.70 59.57 2kh2 h MET 36 Cb 0.51 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 2kh2 h MET 36 CO 0.00 0.00 0.45 0.93 0.23 0.00 0.00 176.91 178.52 2kh2 h GLU 37 N 0.00 0.00 -2.59 0.39 4.39 -1.89 -3.04 114.58 111.85 2kh2 h GLU 37 Ca 0.18 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.31 2kh2 h GLU 37 Cb 0.73 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.32 2kh2 h GLU 37 CO -0.00 0.00 2.24 1.04 -1.16 0.00 0.00 179.01 181.13 2kh2 n GLN 38 N -3.99 3.43 -4.70 2.33 6.02 -0.47 -4.86 117.38 115.13 2kh2 n GLN 38 Ca 0.09 -2.27 -0.31 0.00 -0.01 0.00 0.00 57.00 54.50 2kh2 n GLN 38 Cb 0.66 -2.52 -0.17 0.00 1.02 0.00 0.00 30.24 29.23 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 0.68 2.84 0.03 -1.09 -2.07 -1.15 -4.67 119.66 114.22 2kh2 s GLN 39 Ca 0.64 -0.79 -0.30 0.00 -1.82 0.00 0.00 55.36 53.09 2kh2 s GLN 39 Cb 0.23 -2.28 -0.04 0.00 -1.09 0.00 0.00 33.01 29.83 2kh2 s GLN 39 CO -0.07 0.00 1.05 0.08 -1.32 0.00 0.00 175.29 175.03 2kh2 s VAL 40 N 0.78 4.56 -0.25 3.63 1.01 -0.77 -5.02 120.40 124.34 2kh2 s VAL 40 Ca -0.09 1.86 -0.13 0.00 0.00 0.00 0.00 61.98 63.62 2kh2 s VAL 40 Cb -0.16 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2kh2 s VAL 40 CO -0.00 0.15 0.27 -0.69 0.00 0.00 0.00 175.10 174.83 2kh2 s VAL 41 N 0.95 5.27 -0.28 2.92 1.01 -1.26 -4.51 120.40 124.50 2kh2 s VAL 41 Ca 0.54 0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.78 2kh2 s VAL 41 Cb -0.24 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2kh2 s VAL 41 CO 0.29 0.25 0.19 -0.36 0.00 0.00 0.00 175.10 175.47 2kh2 s PHE 42 N 1.57 3.22 -0.09 5.22 0.40 0.51 -1.62 117.98 127.20 2kh2 s PHE 42 Ca 0.11 0.12 -0.19 0.00 -0.60 0.00 0.00 56.93 56.37 2kh2 s PHE 42 Cb -0.15 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 40.96 2kh2 s PHE 42 CO 0.08 -0.16 0.54 -1.12 0.70 0.00 0.00 175.22 175.26 2kh2 s SER 43 N 1.75 6.79 -0.13 1.36 0.01 0.84 -1.86 113.70 122.46 2kh2 s SER 43 Ca 0.07 0.94 -0.01 0.00 1.31 0.00 0.00 55.95 58.27 2kh2 s SER 43 Cb -0.16 -2.32 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 2kh2 s SER 43 CO 0.11 -0.00 -0.11 0.00 0.41 0.00 0.00 173.24 173.64 2kh2 s MET 44 N 0.50 3.43 -0.09 12.44 0.23 -0.66 -0.81 119.30 134.34 2kh2 s MET 44 Ca 0.29 -0.66 -0.03 0.00 -1.03 0.00 0.00 55.69 54.27 2kh2 s MET 44 Cb -0.16 -2.68 -0.03 0.00 -1.53 0.00 0.00 34.83 30.42 2kh2 s MET 44 CO 0.13 0.21 0.02 -1.12 -2.03 0.00 0.00 175.02 172.23 2kh2 s SER 45 N 0.37 5.34 -0.99 -1.18 0.01 -1.13 -2.57 113.70 113.55 2kh2 s SER 45 Ca -0.10 0.16 -0.23 0.00 1.31 0.00 0.00 55.95 57.09 2kh2 s SER 45 Cb -0.16 -1.56 0.03 0.00 0.21 0.00 0.00 66.02 64.55 2kh2 s SER 45 CO 0.05 0.37 1.55 -0.36 0.41 0.00 0.00 173.24 175.26 2kh2 s PHE 46 N -0.80 2.37 0.82 2.43 0.40 -0.24 -2.04 117.98 120.91 2kh2 s PHE 46 Ca 0.12 -0.51 -0.12 0.00 -0.60 0.00 0.00 56.93 55.83 2kh2 s PHE 46 Cb -0.12 -4.56 0.09 0.00 0.51 0.00 0.00 43.02 38.95 2kh2 s PHE 46 CO 0.02 -1.90 1.18 0.14 0.70 0.00 0.00 175.22 175.36 2kh2 s VAL 47 N 6.09 2.03 -0.46 -0.44 -7.23 -1.16 -4.67 120.40 114.56 2kh2 s VAL 47 Ca 0.51 -0.03 -0.13 0.00 -1.81 0.00 0.00 61.98 60.52 2kh2 s VAL 47 Cb -0.02 -3.00 0.08 0.00 0.56 0.00 0.00 36.38 34.01 2kh2 s VAL 47 CO -0.07 0.00 0.36 -1.58 -0.31 0.00 0.00 175.10 173.49 2kh2 s GLN 48 N -5.58 2.83 0.00 4.82 2.00 -1.21 -4.83 119.66 117.68 2kh2 s GLN 48 Ca 0.63 -1.44 0.00 0.00 -2.00 0.00 0.00 55.36 52.55 2kh2 s GLN 48 Cb -0.10 -4.02 0.00 0.00 0.80 0.00 0.00 33.01 29.69 2kh2 s GLN 48 CO 0.49 -1.04 0.00 0.41 -0.50 0.00 0.00 175.29 174.65 2kh2 n GLY 49 N 5.10 2.95 3.56 2.59 0.00 -1.26 -4.98 105.19 113.14 2kh2 n GLY 49 Ca -0.12 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 2kh2 n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kh2 s GLU 50 N 4.62 3.33 -0.63 1.61 8.01 -1.26 -4.93 118.70 129.45 2kh2 s GLU 50 Ca 0.00 -0.90 -0.14 0.00 0.01 0.00 0.00 54.97 53.94 2kh2 s GLU 50 Cb 0.00 -5.26 0.16 0.00 -4.31 0.00 0.00 34.13 24.71 2kh2 s GLU 50 CO 0.00 -2.49 0.56 -2.00 0.01 0.00 0.00 175.26 171.34 2kh2 s GLU 51 N 5.49 3.09 0.38 1.61 2.12 -1.26 -4.07 118.70 126.06 2kh2 s GLU 51 Ca 0.52 -2.00 0.05 0.00 0.36 0.00 0.00 54.97 53.90 2kh2 s GLU 51 Cb -0.02 -4.26 -0.00 0.00 0.26 0.00 0.00 34.13 30.11 2kh2 s GLU 51 CO -0.07 -1.29 0.54 -1.12 -0.54 0.00 0.00 175.26 172.78 2kh2 s SER 52 N 2.86 5.85 0.56 -1.70 0.01 0.15 -4.97 113.70 116.45 2kh2 s SER 52 Ca 0.09 -0.14 0.34 0.00 1.31 0.00 0.00 55.95 57.55 2kh2 s SER 52 Cb -0.23 -1.16 1.47 0.00 0.21 0.00 0.00 66.02 66.31 2kh2 s SER 52 CO -0.02 -0.57 2.03 -1.13 0.41 0.00 0.00 173.24 173.95 2kh2 h ASN 53 N 0.72 0.00 0.00 2.44 -1.24 -1.99 -2.67 115.58 112.84 2kh2 h ASN 53 Ca -0.45 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.56 2kh2 h ASN 53 Cb 1.26 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.31 2kh2 h ASN 53 CO 0.52 0.02 -0.12 -0.90 -1.29 0.00 0.00 177.43 175.66 2kh2 n ASP 54 N -3.14 1.94 -3.21 1.15 5.75 -1.26 -4.91 116.55 112.88 2kh2 n ASP 54 Ca 0.00 -2.97 0.01 0.00 -0.01 0.00 0.00 54.79 51.81 2kh2 n ASP 54 Cb 0.28 -0.40 -0.01 0.00 -1.03 0.00 0.00 41.12 39.96 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2kh2 s LYS 55 N -2.44 0.77 -0.22 0.11 2.20 -1.01 -2.04 119.74 117.11 2kh2 s LYS 55 Ca 0.28 -0.15 -0.10 0.00 -0.36 0.00 0.00 55.97 55.63 2kh2 s LYS 55 Cb 0.25 0.08 -0.05 0.00 -1.51 0.00 0.00 37.83 36.60 2kh2 s LYS 55 CO 0.02 -1.17 0.14 0.42 -0.36 0.00 0.00 175.35 174.40 2kh2 s ILE 56 N 1.99 5.27 -0.22 5.43 -1.09 0.12 0.31 121.20 133.02 2kh2 s ILE 56 Ca 0.15 0.15 -0.29 0.00 -2.23 0.00 0.00 60.65 58.43 2kh2 s ILE 56 Cb -0.06 -3.44 0.01 0.00 -1.58 0.00 0.00 42.46 37.39 2kh2 s ILE 56 CO -0.10 0.38 1.06 -2.16 -1.23 0.00 0.00 174.94 172.88 2kh2 s PRO 57 N 0.83 4.27 -0.05 2.79 0.04 -1.26 -0.29 135.00 141.33 2kh2 s PRO 57 Ca 0.07 1.38 -0.02 0.00 0.04 0.00 0.00 61.00 62.47 2kh2 s PRO 57 Cb -0.13 -3.64 0.03 0.00 0.04 0.00 0.00 34.50 30.80 2kh2 s PRO 57 CO 0.02 -0.62 0.08 0.14 0.04 0.00 0.00 177.00 176.66 2kh2 s VAL 58 N 3.16 -0.13 -0.57 -0.36 -7.23 -0.21 -2.97 120.40 112.10 2kh2 s VAL 58 Ca 0.45 0.38 -0.27 0.00 -1.81 0.00 0.00 61.98 60.73 2kh2 s VAL 58 Cb -0.16 -0.17 -0.01 0.00 0.56 0.00 0.00 36.38 36.61 2kh2 s VAL 58 CO 0.07 0.16 1.69 0.00 -0.31 0.00 0.00 175.10 176.72 2kh2 s ALA 59 N 2.03 2.47 -0.27 1.32 0.00 -0.87 -4.45 121.76 121.99 2kh2 s ALA 59 Ca 0.03 -0.59 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 2kh2 s ALA 59 Cb -0.12 -4.21 -0.01 0.00 0.00 0.00 0.00 23.12 18.78 2kh2 s ALA 59 CO -0.04 -3.43 1.39 -0.51 0.00 0.00 0.00 175.76 173.18 2kh2 s LEU 60 N 7.75 3.89 0.18 0.00 1.43 -1.26 -2.84 118.68 127.84 2kh2 s LEU 60 Ca 0.63 1.34 0.05 0.00 -1.03 0.00 0.00 54.13 55.12 2kh2 s LEU 60 Cb -0.13 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 2kh2 s LEU 60 CO 0.23 -1.12 -0.10 -0.83 0.23 0.00 0.00 176.35 174.76 2kh2 s GLY 61 N 3.19 1.27 0.13 -3.19 0.00 0.01 -2.62 107.32 106.11 2kh2 s GLY 61 Ca 0.61 -1.60 -0.30 0.00 0.00 0.00 0.00 44.72 43.43 2kh2 s GLY 61 CO 0.25 -1.66 0.98 1.08 0.00 0.00 0.00 173.10 173.75 2kh2 s LEU 62 N -3.24 4.51 0.05 0.66 1.02 -0.61 -0.11 118.68 120.95 2kh2 s LEU 62 Ca 0.21 1.86 -0.35 0.00 0.02 0.00 0.00 54.13 55.86 2kh2 s LEU 62 Cb 0.02 -3.59 -0.14 0.00 0.02 0.00 0.00 46.19 42.50 2kh2 s LEU 62 CO 0.04 -0.08 1.61 1.17 0.02 0.00 0.00 176.35 179.12 2kh2 n LYS 63 N 2.63 1.86 -2.37 1.70 4.81 -0.64 -1.70 118.16 124.45 2kh2 n LYS 63 Ca 0.02 0.68 -0.11 0.00 -0.87 0.00 0.00 58.31 58.03 2kh2 n LYS 63 Cb 0.48 -2.43 -0.01 0.00 0.02 0.00 0.00 35.03 33.10 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 4.16 -2.24 -4.25 1.64 0.28 -1.26 -4.95 120.64 114.02 2kh2 n GLU 64 Ca 0.19 0.54 -0.17 0.00 -0.16 0.00 0.00 57.16 57.56 2kh2 n GLU 64 Cb 0.26 -5.10 -0.14 0.00 1.43 0.00 0.00 31.44 27.88 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2kh2 s LYS 65 N -4.89 0.59 -0.00 3.44 1.02 -0.69 -5.02 119.74 114.19 2kh2 s LYS 65 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 55.66 2kh2 s LYS 65 Cb 0.00 -0.55 0.00 0.00 -0.52 0.00 0.00 37.83 36.76 2kh2 s LYS 65 CO 0.00 0.15 0.77 0.27 -0.92 0.00 0.00 175.35 175.61 2kh2 n ASN 66 N 2.71 2.07 -4.40 2.83 0.23 -1.26 -4.30 115.26 113.14 2kh2 n ASN 66 Ca -0.14 -2.00 -0.36 0.00 -0.53 0.00 0.00 54.58 51.55 2kh2 n ASN 66 Cb 0.57 -0.50 -0.13 0.00 -2.08 0.00 0.00 39.78 37.64 2kh2 n ASN 66 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2kh2 s LEU 67 N -0.00 3.23 0.20 -4.53 1.43 -1.26 -1.47 118.68 116.27 2kh2 s LEU 67 Ca 0.00 -0.27 0.11 0.00 -1.03 0.00 0.00 54.13 52.94 2kh2 s LEU 67 Cb 0.00 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2kh2 s LEU 67 CO 0.00 -0.01 -0.21 -0.31 0.23 0.00 0.00 176.35 176.04 2kh2 s TYR 68 N 1.47 2.15 -0.19 0.29 1.51 -0.63 -1.58 117.35 120.37 2kh2 s TYR 68 Ca 0.05 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.43 2kh2 s TYR 68 Cb -0.15 -1.04 -0.01 0.00 -0.11 0.00 0.00 41.96 40.65 2kh2 s TYR 68 CO 0.01 0.49 1.31 -0.51 -1.11 0.00 0.00 175.55 175.74 2kh2 s LEU 69 N -2.85 4.11 -0.11 -1.29 1.43 -1.08 -1.04 118.68 117.86 2kh2 s LEU 69 Ca 0.21 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 2kh2 s LEU 69 Cb -0.06 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 2kh2 s LEU 69 CO 0.10 -0.86 -0.11 -0.55 0.23 0.00 0.00 176.35 175.16 2kh2 s SER 70 N 2.31 4.26 -0.39 2.29 0.15 0.91 -4.52 113.70 118.71 2kh2 s SER 70 Ca 0.57 -0.22 -0.10 0.00 0.70 0.00 0.00 55.95 56.90 2kh2 s SER 70 Cb -0.21 -1.42 0.05 0.00 -1.71 0.00 0.00 66.02 62.72 2kh2 s SER 70 CO 0.18 0.23 0.23 0.00 1.20 0.00 0.00 173.24 175.08 2kh2 s VAL 72 N 1.51 0.77 -0.27 0.00 -7.23 -0.69 -4.75 120.40 109.74 2kh2 s VAL 72 Ca 0.02 -1.99 -0.18 0.00 -1.81 0.00 0.00 61.98 58.02 2kh2 s VAL 72 Cb -0.21 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.61 2kh2 s VAL 72 CO 0.05 -0.50 0.54 -0.76 -0.31 0.00 0.00 175.10 174.12 2kh2 s LEU 73 N -3.18 4.07 -0.09 1.32 1.43 -1.26 0.42 118.68 121.38 2kh2 s LEU 73 Ca 0.23 0.52 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 2kh2 s LEU 73 Cb 0.06 -2.69 0.02 0.00 0.03 0.00 0.00 46.19 43.61 2kh2 s LEU 73 CO 0.04 -0.32 -0.08 -0.54 0.23 0.00 0.00 176.35 175.69 2kh2 s LYS 74 N 2.36 1.41 -1.28 1.70 1.02 -0.18 -4.79 119.74 119.98 2kh2 s LYS 74 Ca 0.22 -0.24 -0.01 0.00 0.02 0.00 0.00 55.97 55.96 2kh2 s LYS 74 Cb -0.16 -1.40 0.00 0.00 -0.52 0.00 0.00 37.83 35.76 2kh2 s LYS 74 CO 0.09 -0.18 0.85 -3.47 -0.92 0.00 0.00 175.35 171.72 2kh2 n ASP 75 N 4.59 -1.89 -1.91 2.83 -0.08 -1.26 -1.84 116.55 116.99 2kh2 n ASP 75 Ca -0.16 -0.73 -0.20 0.00 -1.51 0.00 0.00 54.79 52.19 2kh2 n ASP 75 Cb 0.51 -4.49 -0.06 0.00 2.34 0.00 0.00 41.12 39.41 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 -3.07 -5.56 -3.72 1.67 9.92 -1.26 -4.97 116.55 109.55 2kh2 n ASP 76 Ca -0.27 0.31 -0.13 0.00 -0.53 0.00 0.00 54.79 54.17 2kh2 n ASP 76 Cb 0.66 -4.80 -0.14 0.00 -0.64 0.00 0.00 41.12 36.20 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 -4.25 0.14 0.05 -1.24 2.47 -0.77 -5.12 119.74 111.03 2kh2 s LYS 77 Ca 0.00 0.49 -0.31 0.00 -1.56 0.00 0.00 55.97 54.59 2kh2 s LYS 77 Cb 0.00 -0.15 -0.10 0.00 -1.46 0.00 0.00 37.83 36.12 2kh2 s LYS 77 CO 0.00 -0.19 1.89 -2.30 0.16 0.00 0.00 175.35 174.92 2kh2 n PRO 78 N 4.42 2.69 -4.41 4.03 -0.02 -1.26 -1.01 135.00 139.44 2kh2 n PRO 78 Ca -0.22 0.98 -0.21 0.00 -2.02 0.00 0.00 63.50 62.03 2kh2 n PRO 78 Cb 0.52 -2.89 -0.14 0.00 -0.02 0.00 0.00 33.50 30.97 2kh2 n PRO 78 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2kh2 s THR 79 N 3.63 1.13 0.08 3.45 2.01 0.17 -4.71 115.64 121.40 2kh2 s THR 79 Ca 0.87 -0.95 -0.13 0.00 0.31 0.00 0.00 61.69 61.79 2kh2 s THR 79 Cb -0.51 -1.01 -0.06 0.00 0.01 0.00 0.00 72.50 70.93 2kh2 s THR 79 CO 0.42 0.06 0.46 -0.22 -0.69 0.00 0.00 174.62 174.65 2kh2 s LEU 80 N -1.02 4.39 0.25 4.42 2.96 -1.26 -1.70 118.68 126.72 2kh2 s LEU 80 Ca 0.02 0.96 -0.15 0.00 -0.22 0.00 0.00 54.13 54.75 2kh2 s LEU 80 Cb -0.07 -2.96 0.00 0.00 0.50 0.00 0.00 46.19 43.66 2kh2 s LEU 80 CO 0.01 0.20 0.52 0.00 -1.32 0.00 0.00 176.35 175.76 2kh2 s GLN 81 N -1.65 1.57 -0.47 1.98 -2.07 -0.18 -4.88 119.66 113.95 2kh2 s GLN 81 Ca 0.32 -1.17 -0.15 0.00 -1.82 0.00 0.00 55.36 52.54 2kh2 s GLN 81 Cb -0.15 0.50 0.08 0.00 -1.09 0.00 0.00 33.01 32.35 2kh2 s GLN 81 CO 0.17 -0.67 0.39 -0.51 -1.32 0.00 0.00 175.29 173.36 2kh2 s LEU 82 N -2.99 5.64 -0.13 2.60 2.01 -1.26 -0.06 118.68 124.49 2kh2 s LEU 82 Ca 0.19 -1.39 -0.09 0.00 0.01 0.00 0.00 54.13 52.84 2kh2 s LEU 82 Cb -0.02 -2.17 -0.05 0.00 0.01 0.00 0.00 46.19 43.97 2kh2 s LEU 82 CO 0.07 -0.66 0.19 -0.70 1.01 0.00 0.00 176.35 176.27 2kh2 s GLU 83 N 1.62 3.76 -0.21 1.70 2.12 -0.20 -4.86 118.70 122.62 2kh2 s GLU 83 Ca 0.04 -0.05 -0.24 0.00 0.36 0.00 0.00 54.97 55.07 2kh2 s GLU 83 Cb -0.25 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 30.86 2kh2 s GLU 83 CO 0.06 0.60 0.80 -1.12 -0.54 0.00 0.00 175.26 175.06 2kh2 s SER 84 N -0.57 6.85 0.00 -1.70 0.01 -1.26 -1.61 113.70 115.42 2kh2 s SER 84 Ca 0.15 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.46 2kh2 s SER 84 Cb -0.13 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2kh2 s SER 84 CO 0.04 -0.44 0.00 1.33 0.41 0.00 0.00 173.24 174.58 2kh2 n VAL 85 N 4.98 0.00 -3.86 3.43 0.24 -0.54 -5.02 118.33 117.56 2kh2 n VAL 85 Ca 0.04 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.05 2kh2 n VAL 85 Cb 0.48 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.69 2kh2 n VAL 85 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2kh2 s ASP 86 N -1.00 3.55 0.67 -1.34 3.68 -1.26 -5.01 116.67 115.95 2kh2 s ASP 86 Ca 0.00 -1.09 0.36 0.00 2.13 0.00 0.00 52.55 53.95 2kh2 s ASP 86 Cb 0.00 -0.97 1.95 0.00 -1.45 0.00 0.00 42.92 42.45 2kh2 s ASP 86 CO 0.00 -0.27 2.10 1.55 0.13 0.00 0.00 175.17 178.68 2kh2 h PRO 87 N 8.05 0.00 0.00 4.34 0.13 -1.92 0.30 132.00 142.91 2kh2 h PRO 87 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2kh2 h PRO 87 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2kh2 h PRO 87 CO 0.39 0.00 -1.44 0.36 -0.23 0.00 0.00 178.00 177.08 2kh2 n LYS 88 N -2.98 0.62 -0.10 0.86 2.85 -1.26 -4.51 118.16 113.64 2kh2 n LYS 88 Ca -0.02 -0.02 -0.14 0.00 -1.05 0.00 0.00 58.31 57.08 2kh2 n LYS 88 Cb 0.26 -1.69 -0.09 0.00 -0.65 0.00 0.00 35.03 32.86 2kh2 n LYS 88 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2kh2 n ASN 89 N -2.48 2.45 -4.87 -5.58 3.02 -0.47 -5.00 115.26 102.33 2kh2 n ASN 89 Ca -0.02 -0.10 -0.31 0.00 -0.03 0.00 0.00 54.58 54.12 2kh2 n ASN 89 Cb 0.56 -0.32 -0.05 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 -2.39 3.42 0.83 3.10 1.51 0.94 -4.39 117.35 120.36 2kh2 s TYR 90 Ca -0.27 1.00 -0.10 0.00 -1.01 0.00 0.00 57.07 56.69 2kh2 s TYR 90 Cb 0.07 -2.37 0.13 0.00 -0.11 0.00 0.00 41.96 39.67 2kh2 s TYR 90 CO 0.45 0.12 1.16 -1.25 -1.11 0.00 0.00 175.55 174.92 2kh2 s PRO 91 N -3.18 1.47 0.08 -1.71 0.04 -1.26 -4.69 135.00 125.75 2kh2 s PRO 91 Ca 0.50 -0.37 -0.06 0.00 0.04 0.00 0.00 61.00 61.11 2kh2 s PRO 91 Cb -0.11 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 2kh2 s PRO 91 CO 0.23 -1.80 0.11 -1.59 0.04 0.00 0.00 177.00 174.00 2kh2 s LYS 92 N -5.55 0.77 0.09 4.56 -2.85 -1.26 -5.07 119.74 110.43 2kh2 s LYS 92 Ca 0.67 -1.06 -0.18 0.00 -1.00 0.00 0.00 55.97 54.40 2kh2 s LYS 92 Cb -0.07 0.30 -0.08 0.00 -2.06 0.00 0.00 37.83 35.92 2kh2 s LYS 92 CO 0.49 -0.22 1.50 -0.22 0.10 0.00 0.00 175.35 177.00 2kh2 h LYS 93 N 2.88 0.49 -4.00 1.78 3.64 -1.97 -3.37 116.57 116.03 2kh2 h LYS 93 Ca -0.34 -0.17 -0.76 0.00 -1.27 0.00 0.00 60.65 58.11 2kh2 h LYS 93 Cb 1.18 -0.04 -0.27 0.00 -0.41 0.00 0.00 32.23 32.70 2kh2 h LYS 93 CO 0.59 0.68 -0.16 0.21 -2.27 0.00 0.00 179.45 178.51 2kh2 s LYS 94 N -4.87 3.06 0.61 1.90 2.47 -1.26 -3.34 119.74 118.30 2kh2 s LYS 94 Ca -0.13 -2.04 -0.00 0.00 -1.56 0.00 0.00 55.97 52.23 2kh2 s LYS 94 Cb 0.08 -4.22 0.05 0.00 -1.46 0.00 0.00 37.83 32.28 2kh2 s LYS 94 CO 0.76 -1.28 0.85 -1.64 0.16 0.00 0.00 175.35 174.21 2kh2 s MET 95 N 0.93 2.33 0.60 4.03 -1.94 -1.26 -5.06 119.30 118.92 2kh2 s MET 95 Ca 0.10 -0.75 -0.19 0.00 -1.71 0.00 0.00 55.69 53.14 2kh2 s MET 95 Cb -0.22 -2.40 -0.03 0.00 2.01 0.00 0.00 34.83 34.19 2kh2 s MET 95 CO -0.02 -0.94 1.24 -1.21 -0.01 0.00 0.00 175.02 174.09 2kh2 s GLU 96 N -4.91 2.91 0.64 2.03 8.01 -1.26 -4.85 118.70 121.27 2kh2 s GLU 96 Ca 0.59 1.93 0.43 0.00 0.01 0.00 0.00 54.97 57.93 2kh2 s GLU 96 Cb -0.10 -1.96 2.28 0.00 -4.31 0.00 0.00 34.13 30.05 2kh2 s GLU 96 CO 0.41 -1.28 2.30 -0.22 0.01 0.00 0.00 175.26 176.48 2kh2 h LYS 97 N 0.91 0.00 -0.00 1.61 3.64 -2.00 0.36 116.57 121.09 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 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 2kh2 h LYS 97 CO 0.55 0.00 -0.02 2.89 -2.27 0.00 0.00 179.45 180.60 2kh2 n ARG 98 N -3.03 0.94 0.00 1.90 1.85 -1.26 -3.31 116.66 113.75 2kh2 n ARG 98 Ca -0.03 -0.17 0.00 0.00 -1.00 0.00 0.00 57.85 56.65 2kh2 n ARG 98 Cb 0.09 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.00 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 -0.88 0.00 0.12 2.89 3.72 0.10 -1.54 117.46 121.87 2kh2 n PHE 99 Ca 0.20 -0.22 -0.05 0.00 -0.05 0.00 0.00 57.45 57.33 2kh2 n PHE 99 Cb 0.19 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.69 2kh2 n PHE 99 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2kh2 h VAL 100 N 0.57 0.00 -3.19 -4.37 2.07 -1.50 -3.38 116.25 106.45 2kh2 h VAL 100 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2kh2 h VAL 100 Cb 0.43 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2kh2 h VAL 100 CO 0.00 0.00 -0.61 0.49 0.02 0.00 0.00 177.57 177.47 2kh2 n PHE 101 N -2.84 -3.16 -3.67 1.57 3.72 -1.26 -2.98 117.46 108.85 2kh2 n PHE 101 Ca -0.04 1.90 -0.39 0.00 -0.05 0.00 0.00 57.45 58.88 2kh2 n PHE 101 Cb 0.12 -3.09 -0.12 0.00 -0.94 0.00 0.00 39.48 35.45 2kh2 n PHE 101 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2kh2 s ASN 102 N -0.33 5.51 -0.47 4.37 3.04 0.14 -1.04 114.94 126.16 2kh2 s ASN 102 Ca 0.00 -0.89 -0.26 0.00 0.04 0.00 0.00 52.86 51.75 2kh2 s ASN 102 Cb 0.00 -1.96 0.03 0.00 -1.54 0.00 0.00 41.25 37.78 2kh2 s ASN 102 CO 0.00 -0.30 0.96 -0.75 -3.04 0.00 0.00 177.10 173.96 2kh2 s LYS 103 N 1.52 3.55 0.03 0.43 2.20 0.60 -0.36 119.74 127.73 2kh2 s LYS 103 Ca 0.02 0.21 -0.00 0.00 -0.36 0.00 0.00 55.97 55.83 2kh2 s LYS 103 Cb -0.18 -3.93 -0.04 0.00 -1.51 0.00 0.00 37.83 32.17 2kh2 s LYS 103 CO 0.05 -1.26 0.15 0.42 -0.36 0.00 0.00 175.35 174.35 2kh2 s ILE 104 N 3.87 5.10 -0.46 5.43 1.01 0.55 -0.70 121.20 136.00 2kh2 s ILE 104 Ca 0.39 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.65 2kh2 s ILE 104 Cb -0.10 -3.43 0.14 0.00 0.01 0.00 0.00 42.46 39.09 2kh2 s ILE 104 CO 0.27 0.22 0.26 -1.61 0.00 0.00 0.00 174.94 174.08 2kh2 s GLU 105 N -2.19 1.39 0.00 2.79 8.01 -0.86 -0.39 118.70 127.44 2kh2 s GLU 105 Ca 0.30 -2.13 0.00 0.00 0.01 0.00 0.00 54.97 53.15 2kh2 s GLU 105 Cb -0.13 -2.43 0.00 0.00 -4.31 0.00 0.00 34.13 27.26 2kh2 s GLU 105 CO 0.22 -1.17 0.51 0.44 0.01 0.00 0.00 175.26 175.27 2kh2 n ILE 106 N 3.40 0.00 0.00 -1.63 -5.35 -1.17 -4.91 119.36 109.70 2kh2 n ILE 106 Ca 0.10 0.98 0.00 0.00 -0.27 0.00 0.00 62.75 63.56 2kh2 n ILE 106 Cb 0.35 -1.92 0.00 0.00 -1.74 0.00 0.00 39.64 36.33 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 -0.65 0.00 -0.21 7.28 0.23 -1.26 -4.94 115.26 115.71 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 0.01 0.00 -2.08 0.00 0.00 39.78 37.71 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 1.18 -4.69 0.53 6.94 -1.26 -4.97 115.26 112.99 2kh2 n ASN 108 Ca 0.00 -1.09 -0.31 0.00 -0.02 0.00 0.00 54.58 53.15 2kh2 n ASN 108 Cb 0.00 0.37 -0.08 0.00 -2.36 0.00 0.00 39.78 37.71 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 -1.05 2.69 0.01 -3.83 -0.14 -1.26 -5.02 119.74 111.14 2kh2 s LYS 109 Ca 0.07 -0.71 0.04 0.00 -1.36 0.00 0.00 55.97 54.01 2kh2 s LYS 109 Cb 0.06 -2.61 -0.03 0.00 -1.68 0.00 0.00 37.83 33.57 2kh2 s LYS 109 CO 0.17 0.59 -0.10 -0.48 -0.76 0.00 0.00 175.35 174.77 2kh2 s LEU 110 N -1.90 3.02 0.06 3.17 2.34 -1.14 -3.02 118.68 121.21 2kh2 s LEU 110 Ca 0.22 -0.21 0.09 0.00 0.06 0.00 0.00 54.13 54.29 2kh2 s LEU 110 Cb -0.12 -1.74 -0.03 0.00 -0.56 0.00 0.00 46.19 43.74 2kh2 s LEU 110 CO 0.14 0.28 -0.24 -1.61 -1.06 0.00 0.00 176.35 173.86 2kh2 s GLU 111 N -1.40 1.78 -0.33 1.48 2.02 0.48 0.36 118.70 123.08 2kh2 s GLU 111 Ca 0.16 -1.13 -0.07 0.00 0.02 0.00 0.00 54.97 53.95 2kh2 s GLU 111 Cb -0.11 -2.02 0.03 0.00 0.10 0.00 0.00 34.13 32.13 2kh2 s GLU 111 CO 0.07 0.50 0.11 -0.06 0.02 0.00 0.00 175.26 175.91 2kh2 s PHE 112 N -0.90 3.23 0.27 1.61 0.08 -1.25 -0.33 117.98 120.68 2kh2 s PHE 112 Ca 0.13 -1.23 0.00 0.00 0.12 0.00 0.00 56.93 55.95 2kh2 s PHE 112 Cb -0.10 -2.30 -0.04 0.00 -0.57 0.00 0.00 43.02 40.01 2kh2 s PHE 112 CO 0.04 -0.68 0.46 -2.00 -0.10 0.00 0.00 175.22 172.94 2kh2 s GLU 113 N 1.45 3.50 0.00 0.44 2.12 0.52 -1.41 118.70 125.32 2kh2 s GLU 113 Ca -0.00 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 54.95 2kh2 s GLU 113 Cb -0.19 -2.77 0.00 0.00 0.26 0.00 0.00 34.13 31.43 2kh2 s GLU 113 CO 0.03 0.30 0.00 0.45 -0.54 0.00 0.00 175.26 175.50 2kh2 n SER 114 N -1.22 0.00 0.10 -1.70 2.88 0.20 0.29 113.62 114.17 2kh2 n SER 114 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2kh2 n SER 114 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2kh2 n SER 114 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kh2 n ALA 115 N -3.00 1.10 0.08 -1.46 0.00 -1.26 -3.24 120.51 112.72 2kh2 n ALA 115 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2kh2 n ALA 115 Cb 0.00 0.00 0.50 0.00 0.00 0.00 0.00 19.45 19.95 2kh2 n ALA 115 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2kh2 h GLN 116 N 0.00 0.35 -4.13 0.00 5.75 -1.91 -3.36 115.11 111.81 2kh2 h GLN 116 Ca 0.00 -0.02 -0.61 0.00 -0.15 0.00 0.00 58.65 57.86 2kh2 h GLN 116 Cb 0.00 -0.08 -0.40 0.00 1.07 0.00 0.00 27.48 28.08 2kh2 h GLN 116 CO 0.00 0.23 -0.75 -0.06 -2.65 0.00 0.00 178.83 175.60 2kh2 s PHE 117 N -5.34 2.58 0.45 3.99 0.08 -1.26 -5.12 117.98 113.36 2kh2 s PHE 117 Ca -0.07 -2.18 -0.23 0.00 0.12 0.00 0.00 56.93 54.57 2kh2 s PHE 117 Cb 0.17 -2.11 -0.07 0.00 -0.57 0.00 0.00 43.02 40.44 2kh2 s PHE 117 CO 0.71 -0.88 1.19 -2.14 -0.10 0.00 0.00 175.22 174.01 2kh2 s PRO 118 N 1.32 3.78 0.00 0.24 0.02 -1.26 -3.00 135.00 136.09 2kh2 s PRO 118 Ca 0.07 1.86 0.00 0.00 0.02 0.00 0.00 61.00 62.94 2kh2 s PRO 118 Cb -0.18 -2.47 0.00 0.00 0.02 0.00 0.00 34.50 31.86 2kh2 s PRO 118 CO -0.15 -0.56 0.00 0.09 -0.33 0.00 0.00 177.00 176.05 2kh2 n ASN 119 N -0.38 -1.96 -4.41 2.53 5.03 -1.26 -5.00 115.26 109.82 2kh2 n ASN 119 Ca 0.07 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.15 2kh2 n ASN 119 Cb 0.47 -0.59 -0.13 0.00 -1.02 0.00 0.00 39.78 38.51 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 -2.63 3.06 0.27 3.10 0.52 -1.16 -4.46 118.94 117.64 2kh2 s TRP 120 Ca 0.00 -0.58 0.11 0.00 0.02 0.00 0.00 56.10 55.65 2kh2 s TRP 120 Cb 0.00 -2.21 -0.05 0.00 -1.15 0.00 0.00 33.47 30.06 2kh2 s TRP 120 CO 0.00 -0.42 -0.18 0.71 0.02 0.00 0.00 176.95 177.09 2kh2 s TYR 121 N 1.58 2.17 -0.04 -1.98 1.51 0.54 -0.63 117.35 120.50 2kh2 s TYR 121 Ca 0.06 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.42 2kh2 s TYR 121 Cb -0.15 -0.99 -0.06 0.00 -0.11 0.00 0.00 41.96 40.65 2kh2 s TYR 121 CO 0.02 0.62 1.60 0.42 -1.11 0.00 0.00 175.55 177.10 2kh2 s ILE 122 N -2.63 3.56 0.23 2.71 1.01 -0.50 -0.55 121.20 125.04 2kh2 s ILE 122 Ca 0.29 0.77 0.09 0.00 0.00 0.00 0.00 60.65 61.80 2kh2 s ILE 122 Cb -0.03 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 2kh2 s ILE 122 CO 0.13 -0.05 -0.17 -0.44 0.00 0.00 0.00 174.94 174.42 2kh2 s SER 123 N 2.97 2.96 -0.18 3.58 0.01 0.89 -4.27 113.70 119.67 2kh2 s SER 123 Ca 0.71 -1.02 -0.09 0.00 1.31 0.00 0.00 55.95 56.86 2kh2 s SER 123 Cb -0.33 -0.20 0.07 0.00 0.21 0.00 0.00 66.02 65.76 2kh2 s SER 123 CO 0.29 -0.09 0.42 -0.89 0.41 0.00 0.00 173.24 173.38 2kh2 s THR 124 N -2.77 -0.15 0.91 1.44 2.01 -0.68 -2.06 115.64 114.34 2kh2 s THR 124 Ca 0.25 0.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.25 2kh2 s THR 124 Cb -0.02 -0.63 0.14 0.00 0.01 0.00 0.00 72.50 72.00 2kh2 s THR 124 CO 0.10 0.04 1.10 -0.44 -0.69 0.00 0.00 174.62 174.74 2kh2 s SER 125 N 1.65 3.16 0.08 3.53 0.01 -1.26 -0.88 113.70 119.99 2kh2 s SER 125 Ca -0.08 1.84 0.19 0.00 1.31 0.00 0.00 55.95 59.21 2kh2 s SER 125 Cb -0.09 -2.43 0.79 0.00 0.21 0.00 0.00 66.02 64.50 2kh2 s SER 125 CO -0.13 -2.89 1.59 0.00 0.41 0.00 0.00 173.24 172.22 2kh2 n GLN 126 N -4.08 0.07 -2.66 12.44 1.13 -1.26 -4.78 117.38 118.23 2kh2 n GLN 126 Ca 0.09 0.28 -0.36 0.00 -1.94 0.00 0.00 57.00 55.07 2kh2 n GLN 126 Cb 0.53 -1.62 -0.05 0.00 0.11 0.00 0.00 30.24 29.21 2kh2 n GLN 126 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kh2 s ALA 127 N -3.10 3.09 0.40 -1.58 0.00 -1.26 -5.04 121.76 114.28 2kh2 s ALA 127 Ca 0.07 0.59 -0.21 0.00 0.00 0.00 0.00 51.96 52.40 2kh2 s ALA 127 Cb 0.10 -3.22 -0.11 0.00 0.00 0.00 0.00 23.12 19.89 2kh2 s ALA 127 CO 0.34 -0.05 0.93 -2.00 0.00 0.00 0.00 175.76 174.98 2kh2 s GLU 128 N -2.56 4.27 -0.68 0.00 2.56 -1.26 -3.84 118.70 117.19 2kh2 s GLU 128 Ca 0.57 1.12 0.00 0.00 0.00 0.00 0.00 54.97 56.66 2kh2 s GLU 128 Cb -0.18 -2.30 0.00 0.00 2.00 0.00 0.00 34.13 33.64 2kh2 s GLU 128 CO 0.23 0.04 0.00 -1.71 -0.56 0.00 0.00 175.26 173.26 2kh2 n ASN 129 N -0.41 -3.53 -4.84 -1.70 2.85 -1.24 -5.02 115.26 101.36 2kh2 n ASN 129 Ca 0.06 0.13 -0.38 0.00 -0.11 0.00 0.00 54.58 54.28 2kh2 n ASN 129 Cb 0.53 -1.89 -0.06 0.00 1.24 0.00 0.00 39.78 39.60 2kh2 n ASN 129 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 2kh2 s MET 130 N -2.94 3.77 1.02 1.20 -1.94 -1.24 -4.92 119.30 114.24 2kh2 s MET 130 Ca 0.00 0.19 -0.15 0.00 -1.71 0.00 0.00 55.69 54.02 2kh2 s MET 130 Cb 0.00 -3.23 0.20 0.00 2.01 0.00 0.00 34.83 33.82 2kh2 s MET 130 CO 0.00 0.69 1.16 -1.25 -0.01 0.00 0.00 175.02 175.61 2kh2 s PRO 131 N -0.94 0.25 -0.05 2.03 0.04 -1.26 -1.10 135.00 133.96 2kh2 s PRO 131 Ca 0.20 0.08 -0.10 0.00 0.04 0.00 0.00 61.00 61.22 2kh2 s PRO 131 Cb -0.15 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 2kh2 s PRO 131 CO 0.09 -2.76 0.26 0.08 0.04 0.00 0.00 177.00 174.72 2kh2 s VAL 132 N -3.27 5.29 0.27 -0.36 1.01 -0.84 -4.67 120.40 117.82 2kh2 s VAL 132 Ca 0.68 0.45 -0.05 0.00 0.00 0.00 0.00 61.98 63.05 2kh2 s VAL 132 Cb -0.12 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2kh2 s VAL 132 CO 0.55 0.57 0.37 0.72 0.00 0.00 0.00 175.10 177.30 2kh2 s PHE 133 N -1.09 0.86 -0.23 5.22 -0.71 -0.88 -4.88 117.98 116.27 2kh2 s PHE 133 Ca 0.20 -1.12 -0.12 0.00 -1.04 0.00 0.00 56.93 54.85 2kh2 s PHE 133 Cb -0.14 -0.15 -0.05 0.00 -1.21 0.00 0.00 43.02 41.48 2kh2 s PHE 133 CO 0.09 -0.93 0.24 -1.17 -1.34 0.00 0.00 175.22 172.11 2kh2 s LEU 134 N -3.14 4.12 0.23 -1.99 2.96 -1.26 -0.07 118.68 119.53 2kh2 s LEU 134 Ca 0.30 0.23 0.05 0.00 -0.22 0.00 0.00 54.13 54.49 2kh2 s LEU 134 Cb 0.02 -2.24 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 2kh2 s LEU 134 CO 0.14 0.01 -0.04 -0.83 -1.32 0.00 0.00 176.35 174.31 2kh2 s GLY 135 N 1.10 1.55 -0.07 7.98 0.00 0.28 -4.86 107.32 113.29 2kh2 s GLY 135 Ca 0.11 -1.76 0.11 0.00 0.00 0.00 0.00 44.72 43.18 2kh2 s GLY 135 CO 0.06 -1.70 1.06 0.61 0.00 0.00 0.00 173.10 173.13 2kh2 n GLY 136 N -0.43 3.65 2.91 0.20 0.00 -1.26 -0.34 105.19 109.91 2kh2 n GLY 136 Ca -0.06 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.98 5.55 -2.28 2.61 -2.24 -1.26 -4.95 114.28 110.72 2kh2 n THR 137 Ca 0.09 -5.95 -0.43 0.00 -2.27 0.00 0.00 64.05 55.49 2kh2 n THR 137 Cb 0.51 -1.94 -0.02 0.00 -2.10 0.00 0.00 70.33 66.78 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 -3.18 3.94 0.00 -0.78 2.20 -1.26 -2.39 119.74 118.26 2kh2 s LYS 138 Ca 0.33 1.52 0.00 0.00 -0.36 0.00 0.00 55.97 57.46 2kh2 s LYS 138 Cb 0.08 -3.93 0.00 0.00 -1.51 0.00 0.00 37.83 32.48 2kh2 s LYS 138 CO 0.05 -1.10 0.00 0.41 -0.36 0.00 0.00 175.35 174.35 2kh2 n GLY 139 N 4.32 0.74 0.00 5.54 0.00 -1.26 -5.05 105.19 109.48 2kh2 n GLY 139 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.46 2.47 2.79 -0.02 0.00 -1.01 -4.97 105.19 101.99 2kh2 n GLY 140 Ca 0.00 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 2kh2 n GLY 140 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kh2 n GLN 141 N 0.00 2.85 -3.64 1.61 3.00 -1.26 -4.84 117.38 115.10 2kh2 n GLN 141 Ca 0.00 -3.30 -0.07 0.00 -0.01 0.00 0.00 57.00 53.62 2kh2 n GLN 141 Cb 0.00 -2.26 -0.07 0.00 0.00 0.00 0.00 30.24 27.91 2kh2 n GLN 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2kh2 s ASP 142 N -0.72 -0.95 -0.20 1.08 1.01 -1.26 -4.61 116.67 111.01 2kh2 s ASP 142 Ca 0.53 1.51 -0.29 0.00 0.71 0.00 0.00 52.55 55.01 2kh2 s ASP 142 Cb 0.41 1.41 -0.01 0.00 1.01 0.00 0.00 42.92 45.75 2kh2 s ASP 142 CO -0.35 -0.24 1.25 -0.63 0.21 0.00 0.00 175.17 175.41 2kh2 s ILE 143 N 1.68 4.30 -0.24 0.77 1.01 -0.06 -4.51 121.20 124.15 2kh2 s ILE 143 Ca -0.10 1.54 0.09 0.00 0.00 0.00 0.00 60.65 62.19 2kh2 s ILE 143 Cb -0.05 -4.07 -0.12 0.00 0.01 0.00 0.00 42.46 38.22 2kh2 s ILE 143 CO -0.20 -0.22 0.31 0.35 0.00 0.00 0.00 174.94 175.18 2kh2 n THR 144 N 5.56 0.00 -3.74 2.92 -2.24 -1.26 -1.68 114.28 113.85 2kh2 n THR 144 Ca 0.14 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.31 2kh2 n THR 144 Cb 0.45 0.66 -0.05 0.00 -2.10 0.00 0.00 70.33 69.29 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 -2.46 6.52 0.00 3.42 -4.77 -1.26 -3.95 116.67 114.18 2kh2 s ASP 145 Ca 0.00 0.60 0.00 0.00 -3.30 0.00 0.00 52.55 49.86 2kh2 s ASP 145 Cb 0.07 -2.11 0.00 0.00 -1.09 0.00 0.00 42.92 39.79 2kh2 s ASP 145 CO 0.39 0.28 0.00 0.49 0.70 0.00 0.00 175.17 177.03 2kh2 n PHE 146 N 1.33 0.00 -4.28 2.11 3.72 0.16 -3.34 117.46 117.16 2kh2 n PHE 146 Ca -0.13 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.11 2kh2 n PHE 146 Cb 0.53 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.98 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 -0.35 0.21 -0.42 4.37 -4.23 -0.59 -2.88 115.64 111.75 2kh2 s THR 147 Ca 0.00 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.60 2kh2 s THR 147 Cb 0.00 -2.53 0.41 0.00 1.34 0.00 0.00 72.50 71.73 2kh2 s THR 147 CO 0.00 0.00 1.01 0.80 -0.54 0.00 0.00 174.62 175.89 2kh2 n MET 148 N -0.45 2.57 -1.69 3.99 1.56 -1.26 -4.29 117.12 117.55 2kh2 n MET 148 Ca 0.02 -4.12 -0.42 0.00 -0.27 0.00 0.00 57.70 52.91 2kh2 n MET 148 Cb 0.65 -1.92 -0.03 0.00 2.15 0.00 0.00 33.22 34.07 2kh2 n MET 148 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 2kh2 n GLN 149 N -0.27 2.82 -3.22 2.12 3.00 -1.15 -4.79 117.38 115.89 2kh2 n GLN 149 Ca 0.28 1.02 -0.39 0.00 -0.01 0.00 0.00 57.00 57.91 2kh2 n GLN 149 Cb 0.67 -2.92 -0.06 0.00 0.00 0.00 0.00 30.24 27.93 2kh2 n GLN 149 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2kh2 s PHE 150 N 2.62 3.71 0.41 1.08 0.08 -1.26 -0.03 117.98 124.60 2kh2 s PHE 150 Ca 0.81 1.22 0.07 0.00 0.12 0.00 0.00 56.93 59.15 2kh2 s PHE 150 Cb -0.48 -2.59 -0.07 0.00 -0.57 0.00 0.00 43.02 39.32 2kh2 s PHE 150 CO 0.37 0.40 0.04 0.14 -0.10 0.00 0.00 175.22 176.07 2kh2 s VAL 151 N -0.38 2.04 -0.58 -0.44 -7.23 -1.22 -4.94 120.40 107.65 2kh2 s VAL 151 Ca 0.31 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.51 2kh2 s VAL 151 Cb -0.18 -2.98 0.22 0.00 0.56 0.00 0.00 36.38 34.00 2kh2 s VAL 151 CO 0.18 0.00 2.34 -1.54 -0.31 0.00 0.00 175.10 175.77 2kh2 n SER 152 N -1.03 6.96 0.00 4.85 3.41 -1.26 -4.78 113.62 121.77 2kh2 n SER 152 Ca -0.05 -3.46 0.00 0.00 -0.26 0.00 0.00 58.87 55.11 2kh2 n SER 152 Cb 0.67 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68