#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 -0.65 -5.08 0.00 0.13 -2.02 -3.43 132.00 120.94 2kh2 h PRO 2 Ca 0.00 0.04 -0.66 0.00 -0.87 0.00 0.00 66.00 64.51 2kh2 h PRO 2 Cb 0.00 0.15 -0.30 0.00 0.13 0.00 0.00 31.00 30.98 2kh2 h PRO 2 CO 0.00 -0.38 -0.78 0.54 -0.23 0.00 0.00 178.00 177.15 2kh2 s VAL 3 N -4.15 2.82 0.03 1.56 0.11 -1.26 -4.82 120.40 114.70 2kh2 s VAL 3 Ca -0.12 -0.69 -0.29 0.00 -2.93 0.00 0.00 61.98 57.95 2kh2 s VAL 3 Cb 0.01 -2.23 -0.04 0.00 -1.53 0.00 0.00 36.38 32.59 2kh2 s VAL 3 CO 0.39 0.48 0.94 -0.13 -3.33 0.00 0.00 175.10 173.45 2kh2 s ARG 4 N 1.20 4.59 -0.03 1.54 0.52 -1.26 -4.92 118.95 120.59 2kh2 s ARG 4 Ca 0.02 1.36 0.01 0.00 -0.52 0.00 0.00 55.73 56.60 2kh2 s ARG 4 Cb -0.14 -3.42 0.01 0.00 0.52 0.00 0.00 34.95 31.92 2kh2 s ARG 4 CO -0.05 0.07 -0.04 -1.12 0.02 0.00 0.00 175.30 174.18 2kh2 s SER 5 N 0.58 0.70 0.26 0.23 0.01 -1.26 -0.57 113.70 113.65 2kh2 s SER 5 Ca 0.48 -0.09 0.09 0.00 1.31 0.00 0.00 55.95 57.74 2kh2 s SER 5 Cb -0.21 -0.26 -0.05 0.00 0.21 0.00 0.00 66.02 65.71 2kh2 s SER 5 CO 0.27 -0.02 -0.14 -0.76 0.41 0.00 0.00 173.24 173.00 2kh2 s LEU 6 N 0.55 2.57 -0.13 2.44 1.43 0.26 -4.91 118.68 120.88 2kh2 s LEU 6 Ca -0.06 -1.07 0.01 0.00 -1.03 0.00 0.00 54.13 51.97 2kh2 s LEU 6 Cb -0.10 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.27 2kh2 s LEU 6 CO -0.00 -0.13 -0.15 0.20 0.23 0.00 0.00 176.35 176.49 2kh2 s ASN 7 N -3.43 3.80 0.14 2.29 0.01 -1.26 0.73 114.94 117.22 2kh2 s ASN 7 Ca 0.27 -0.39 -0.13 0.00 -0.71 0.00 0.00 52.86 51.90 2kh2 s ASN 7 Cb -0.01 -1.57 0.02 0.00 0.41 0.00 0.00 41.25 40.09 2kh2 s ASN 7 CO 0.11 0.15 0.36 0.00 -1.51 0.00 0.00 177.10 176.21 2kh2 s THR 9 N -3.86 2.98 -0.12 0.00 2.01 0.13 -0.26 115.64 116.51 2kh2 s THR 9 Ca 0.07 -0.73 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 2kh2 s THR 9 Cb 0.02 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 2kh2 s THR 9 CO -0.08 0.57 0.00 -0.76 -0.69 0.00 0.00 174.62 173.67 2kh2 s LEU 10 N -0.38 3.54 -0.02 4.42 1.43 -1.26 -1.99 118.68 124.43 2kh2 s LEU 10 Ca 0.04 0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 2kh2 s LEU 10 Cb -0.12 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 44.26 2kh2 s LEU 10 CO 0.02 0.28 -0.10 -0.13 0.23 0.00 0.00 176.35 176.66 2kh2 s ARG 11 N -0.32 0.94 0.66 1.70 0.52 -1.24 -4.14 118.95 117.07 2kh2 s ARG 11 Ca 0.07 -0.36 -0.11 0.00 -0.52 0.00 0.00 55.73 54.81 2kh2 s ARG 11 Cb -0.12 -0.89 0.16 0.00 0.52 0.00 0.00 34.95 34.62 2kh2 s ARG 11 CO 0.02 0.18 0.68 -0.40 0.02 0.00 0.00 175.30 175.80 2kh2 n ASP 12 N 3.03 -1.06 0.00 0.23 5.75 -1.22 0.20 116.55 123.49 2kh2 n ASP 12 Ca -0.16 -1.02 0.03 0.00 -0.01 0.00 0.00 54.79 53.64 2kh2 n ASP 12 Cb 0.55 -0.58 0.15 0.00 -1.03 0.00 0.00 41.12 40.21 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 -3.88 0.00 -0.74 -1.12 3.41 -1.23 -0.63 113.62 109.43 2kh2 n SER 13 Ca 0.09 0.43 0.09 0.00 -0.26 0.00 0.00 58.87 59.22 2kh2 n SER 13 Cb 0.34 -0.45 0.09 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.45 1.58 -2.34 4.33 1.13 -1.26 -4.96 117.38 114.40 2kh2 n GLN 14 Ca 0.02 -1.62 -0.14 0.00 -1.94 0.00 0.00 57.00 53.32 2kh2 n GLN 14 Cb 0.07 -1.35 -0.00 0.00 0.11 0.00 0.00 30.24 29.07 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 -1.45 -1.70 -1.09 1.13 0.20 -5.01 117.38 110.48 2kh2 n GLN 15 Ca 0.11 0.66 -0.31 0.00 -1.94 0.00 0.00 57.00 55.52 2kh2 n GLN 15 Cb 0.46 -4.91 0.05 0.00 0.11 0.00 0.00 30.24 25.94 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 -4.79 2.93 0.00 -1.09 1.02 -1.26 -4.59 119.74 111.97 2kh2 s LYS 16 Ca 0.03 0.75 0.06 0.00 0.02 0.00 0.00 55.97 56.83 2kh2 s LYS 16 Cb -0.01 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 2kh2 s LYS 16 CO 0.04 -1.05 -0.16 -1.12 -0.92 0.00 0.00 175.35 172.14 2kh2 s SER 17 N -4.01 3.90 -0.16 2.83 0.01 0.99 -3.44 113.70 113.81 2kh2 s SER 17 Ca 0.58 -0.33 -0.24 0.00 1.31 0.00 0.00 55.95 57.27 2kh2 s SER 17 Cb -0.13 -0.71 -0.02 0.00 0.21 0.00 0.00 66.02 65.37 2kh2 s SER 17 CO 0.54 0.29 0.76 -0.76 0.41 0.00 0.00 173.24 174.48 2kh2 s LEU 18 N -1.16 4.18 0.11 2.44 1.43 -1.26 -1.73 118.68 122.69 2kh2 s LEU 18 Ca 0.14 1.08 0.09 0.00 -1.03 0.00 0.00 54.13 54.41 2kh2 s LEU 18 Cb -0.11 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 2kh2 s LEU 18 CO 0.04 -0.33 -0.23 0.68 0.23 0.00 0.00 176.35 176.73 2kh2 s VAL 19 N 1.92 1.92 -0.50 -1.59 -7.23 0.83 -1.15 120.40 114.59 2kh2 s VAL 19 Ca 0.35 -1.60 -0.28 0.00 -1.81 0.00 0.00 61.98 58.64 2kh2 s VAL 19 Cb -0.16 -1.72 0.03 0.00 0.56 0.00 0.00 36.38 35.09 2kh2 s VAL 19 CO 0.13 0.02 1.13 -0.04 -0.31 0.00 0.00 175.10 176.03 2kh2 s MET 20 N -1.91 3.65 0.00 4.82 -1.94 -1.26 -0.55 119.30 122.12 2kh2 s MET 20 Ca 0.09 0.44 0.00 0.00 -1.71 0.00 0.00 55.69 54.51 2kh2 s MET 20 Cb -0.10 -3.94 0.00 0.00 2.01 0.00 0.00 34.83 32.80 2kh2 s MET 20 CO 0.05 -1.45 0.12 0.45 -0.01 0.00 0.00 175.02 174.18 2kh2 n SER 21 N 7.94 0.00 -2.95 3.03 2.88 0.27 -4.94 113.62 119.85 2kh2 n SER 21 Ca 0.11 0.12 -0.07 0.00 -1.33 0.00 0.00 58.87 57.70 2kh2 n SER 21 Cb 0.49 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.96 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 2.30 0.26 0.46 0.00 -1.14 -4.93 105.19 103.86 2kh2 n GLY 22 Ca 0.00 -2.18 0.09 0.00 0.00 0.00 0.00 46.02 43.93 2kh2 n GLY 22 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kh2 h PRO 23 N 0.00 0.00 -0.08 1.61 0.11 -2.03 -2.87 132.00 128.74 2kh2 h PRO 23 Ca -0.10 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.88 2kh2 h PRO 23 Cb 0.41 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 31.30 2kh2 h PRO 23 CO 0.15 0.05 -0.79 0.66 -0.21 0.00 0.00 178.00 177.86 2kh2 n TYR 24 N -4.25 0.28 -4.16 0.65 4.01 -1.26 -4.99 117.16 107.44 2kh2 n TYR 24 Ca -0.03 -1.17 -0.16 0.00 -0.16 0.00 0.00 57.90 56.38 2kh2 n TYR 24 Cb 0.14 -0.21 -0.15 0.00 -0.31 0.00 0.00 39.34 38.81 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 -1.93 0.46 -0.03 -0.72 2.12 -1.08 -4.22 118.70 113.29 2kh2 s GLU 25 Ca 0.36 -0.18 0.06 0.00 0.36 0.00 0.00 54.97 55.58 2kh2 s GLU 25 Cb 0.38 -0.46 -0.01 0.00 0.26 0.00 0.00 34.13 34.30 2kh2 s GLU 25 CO -0.10 0.09 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.97 2kh2 s LEU 26 N -0.00 2.03 0.12 2.70 1.43 -1.26 -0.57 118.68 123.13 2kh2 s LEU 26 Ca 0.00 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 52.75 2kh2 s LEU 26 Cb -0.04 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 2kh2 s LEU 26 CO -0.00 0.25 -0.18 -0.54 0.23 0.00 0.00 176.35 176.11 2kh2 s LYS 27 N -0.34 1.12 -0.16 1.70 1.02 0.29 -0.99 119.74 122.38 2kh2 s LYS 27 Ca 0.03 -1.23 0.01 0.00 0.02 0.00 0.00 55.97 54.80 2kh2 s LYS 27 Cb -0.11 -1.22 0.01 0.00 -0.52 0.00 0.00 37.83 35.99 2kh2 s LYS 27 CO 0.01 0.26 -0.18 0.00 -0.92 0.00 0.00 175.35 174.52 2kh2 s ALA 28 N -1.64 2.39 0.08 5.17 0.00 0.81 -0.12 121.76 128.45 2kh2 s ALA 28 Ca 0.09 -1.11 -0.16 0.00 0.00 0.00 0.00 51.96 50.79 2kh2 s ALA 28 Cb -0.08 -1.17 0.03 0.00 0.00 0.00 0.00 23.12 21.91 2kh2 s ALA 28 CO 0.05 -0.13 0.36 -0.48 0.00 0.00 0.00 175.76 175.56 2kh2 s LEU 29 N 0.96 0.60 0.12 0.00 0.05 -0.71 -3.19 118.68 116.51 2kh2 s LEU 29 Ca -0.03 -0.22 -0.31 0.00 0.05 0.00 0.00 54.13 53.62 2kh2 s LEU 29 Cb -0.15 1.63 -0.10 0.00 -2.05 0.00 0.00 46.19 45.52 2kh2 s LEU 29 CO -0.04 -0.73 1.72 -1.00 -0.55 0.00 0.00 176.35 175.75 2kh2 s HIS 30 N -3.11 2.45 -0.12 3.48 3.76 -1.26 -0.01 115.29 120.47 2kh2 s HIS 30 Ca -0.01 0.23 -0.03 0.00 -0.15 0.00 0.00 55.06 55.09 2kh2 s HIS 30 Cb 0.01 -4.06 0.05 0.00 1.11 0.00 0.00 32.58 29.68 2kh2 s HIS 30 CO -0.07 -4.25 0.05 -1.17 -0.85 0.00 0.00 174.74 168.45 2kh2 s LEU 31 N 2.33 0.52 -0.21 0.89 2.96 -1.26 -4.86 118.68 119.05 2kh2 s LEU 31 Ca 0.76 -0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 54.21 2kh2 s LEU 31 Cb -0.44 -0.33 0.09 0.00 0.50 0.00 0.00 46.19 46.01 2kh2 s LEU 31 CO 0.34 -0.28 0.46 -1.58 -1.32 0.00 0.00 176.35 173.97 2kh2 s GLN 32 N 2.05 0.39 0.00 1.98 0.74 -1.26 -4.81 119.66 118.75 2kh2 s GLN 32 Ca 0.03 1.07 0.00 0.00 0.05 0.00 0.00 55.36 56.51 2kh2 s GLN 32 Cb -0.14 0.36 0.00 0.00 1.10 0.00 0.00 33.01 34.32 2kh2 s GLN 32 CO -0.07 -0.23 0.00 0.41 -0.55 0.00 0.00 175.29 174.86 2kh2 n GLY 33 N 5.19 0.33 0.01 2.59 0.00 -1.26 -4.75 105.19 107.30 2kh2 n GLY 33 Ca -0.12 -1.42 0.14 0.00 0.00 0.00 0.00 46.02 44.63 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 0.17 -0.09 1.61 -0.06 -1.26 -3.00 117.38 114.74 2kh2 n GLN 34 Ca 0.00 -0.02 0.11 0.00 -2.00 0.00 0.00 57.00 55.09 2kh2 n GLN 34 Cb 0.00 -1.50 0.33 0.00 -4.06 0.00 0.00 30.24 25.01 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 -1.39 2.21 0.17 1.69 9.92 -1.26 -4.21 116.55 123.67 2kh2 n ASP 35 Ca 0.09 -1.78 0.10 0.00 -0.53 0.00 0.00 54.79 52.67 2kh2 n ASP 35 Cb 0.31 -0.12 0.62 0.00 -0.64 0.00 0.00 41.12 41.29 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 3.00 0.07 0.00 -1.24 4.05 -1.87 -1.15 114.93 117.78 2kh2 h MET 36 Ca 0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kh2 h MET 36 Cb 0.65 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 2kh2 h MET 36 CO 0.00 0.04 0.00 0.93 0.23 0.00 0.00 176.91 178.11 2kh2 h GLU 37 N 0.07 0.00 -0.01 0.39 4.39 -1.86 -2.14 114.58 115.43 2kh2 h GLU 37 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2kh2 h GLU 37 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2kh2 h GLU 37 CO -0.01 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.88 2kh2 n GLN 38 N -2.37 1.15 -2.33 2.33 6.02 -0.44 -4.87 117.38 116.88 2kh2 n GLN 38 Ca -0.01 -0.22 -0.40 0.00 -0.01 0.00 0.00 57.00 56.36 2kh2 n GLN 38 Cb 0.11 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 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 -2.00 4.52 0.08 -1.09 -2.07 -0.81 -4.66 119.66 113.64 2kh2 s GLN 39 Ca 0.45 1.97 -0.25 0.00 -1.82 0.00 0.00 55.36 55.70 2kh2 s GLN 39 Cb 0.21 -3.13 -0.06 0.00 -1.09 0.00 0.00 33.01 28.94 2kh2 s GLN 39 CO 0.35 0.04 0.79 0.08 -1.32 0.00 0.00 175.29 175.23 2kh2 s VAL 40 N -1.16 4.62 -0.22 3.63 1.01 -0.30 -5.03 120.40 122.96 2kh2 s VAL 40 Ca 0.46 1.69 -0.08 0.00 0.00 0.00 0.00 61.98 64.05 2kh2 s VAL 40 Cb -0.35 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 2kh2 s VAL 40 CO 0.46 0.40 0.08 -0.69 0.00 0.00 0.00 175.10 175.35 2kh2 s VAL 41 N -0.31 4.67 -0.17 2.92 1.01 -1.26 -4.58 120.40 122.68 2kh2 s VAL 41 Ca 0.39 -0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.23 2kh2 s VAL 41 Cb -0.21 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2kh2 s VAL 41 CO 0.24 0.39 0.07 -0.36 0.00 0.00 0.00 175.10 175.44 2kh2 s PHE 42 N 1.00 3.29 -0.28 5.22 0.08 0.64 -1.69 117.98 126.23 2kh2 s PHE 42 Ca 0.04 0.15 -0.26 0.00 0.12 0.00 0.00 56.93 56.99 2kh2 s PHE 42 Cb -0.14 -2.04 0.00 0.00 -0.57 0.00 0.00 43.02 40.27 2kh2 s PHE 42 CO 0.03 0.26 0.89 -1.12 -0.10 0.00 0.00 175.22 175.18 2kh2 s SER 43 N 0.10 6.81 -0.46 1.36 0.01 0.13 -1.58 113.70 120.07 2kh2 s SER 43 Ca 0.06 0.92 -0.17 0.00 1.31 0.00 0.00 55.95 58.06 2kh2 s SER 43 Cb -0.12 -2.46 0.05 0.00 0.21 0.00 0.00 66.02 63.70 2kh2 s SER 43 CO 0.00 -0.65 0.49 -0.32 0.41 0.00 0.00 173.24 173.17 2kh2 s MET 44 N 3.10 3.08 -0.08 12.44 1.75 0.22 -2.26 119.30 137.55 2kh2 s MET 44 Ca 0.37 -0.93 -0.04 0.00 -1.25 0.00 0.00 55.69 53.83 2kh2 s MET 44 Cb -0.14 -4.05 -0.04 0.00 2.84 0.00 0.00 34.83 33.44 2kh2 s MET 44 CO 0.11 -1.01 0.10 -1.12 -0.65 0.00 0.00 175.02 172.45 2kh2 s SER 45 N 2.28 6.00 -0.26 1.11 0.01 -0.73 -0.57 113.70 121.53 2kh2 s SER 45 Ca 0.11 0.33 -0.20 0.00 1.31 0.00 0.00 55.95 57.51 2kh2 s SER 45 Cb -0.19 -1.85 -0.02 0.00 0.21 0.00 0.00 66.02 64.16 2kh2 s SER 45 CO 0.11 0.37 0.60 -0.36 0.41 0.00 0.00 173.24 174.37 2kh2 s PHE 46 N -1.05 3.27 0.00 2.43 0.08 0.26 -0.01 117.98 122.96 2kh2 s PHE 46 Ca 0.17 0.74 0.00 0.00 0.12 0.00 0.00 56.93 57.96 2kh2 s PHE 46 Cb -0.12 -2.82 0.00 0.00 -0.57 0.00 0.00 43.02 39.51 2kh2 s PHE 46 CO 0.07 -0.33 0.00 1.33 -0.10 0.00 0.00 175.22 176.19 2kh2 n VAL 47 N 5.21 0.00 -3.90 -0.44 0.24 -0.99 -4.42 118.33 114.02 2kh2 n VAL 47 Ca -0.02 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.93 2kh2 n VAL 47 Cb 0.49 -0.17 -0.06 0.00 -1.47 0.00 0.00 33.84 32.63 2kh2 n VAL 47 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2kh2 s GLN 48 N -1.27 3.42 0.00 7.34 2.00 -1.22 -4.76 119.66 125.17 2kh2 s GLN 48 Ca 0.00 -0.20 0.00 0.00 -2.00 0.00 0.00 55.36 53.16 2kh2 s GLN 48 Cb 0.00 -3.15 0.00 0.00 0.80 0.00 0.00 33.01 30.66 2kh2 s GLN 48 CO 0.00 0.75 0.00 0.41 -0.50 0.00 0.00 175.29 175.95 2kh2 n GLY 49 N 1.68 -0.60 3.59 2.59 0.00 -1.26 -4.95 105.19 106.23 2kh2 n GLY 49 Ca -0.17 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.47 3.29 -0.09 1.61 2.56 -1.26 -4.90 118.70 118.43 2kh2 s GLU 50 Ca 0.00 0.97 -0.00 0.00 0.00 0.00 0.00 54.97 55.93 2kh2 s GLU 50 Cb 0.00 -4.16 -0.03 0.00 2.00 0.00 0.00 34.13 31.94 2kh2 s GLU 50 CO 0.00 -1.93 -0.06 -2.00 -0.56 0.00 0.00 175.26 170.71 2kh2 s GLU 51 N 5.64 3.01 0.00 4.30 2.12 -1.26 -3.57 118.70 128.94 2kh2 s GLU 51 Ca 0.67 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.46 2kh2 s GLU 51 Cb -0.16 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.55 2kh2 s GLU 51 CO 0.30 0.54 0.00 -1.13 -0.54 0.00 0.00 175.26 174.43 2kh2 n SER 52 N 2.60 0.00 -0.44 -1.70 3.41 -0.56 -4.99 113.62 111.94 2kh2 n SER 52 Ca -0.18 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.56 2kh2 n SER 52 Cb 0.53 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.84 2kh2 n SER 52 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kh2 n ASN 53 N 0.00 1.53 0.00 4.04 5.15 -1.26 -4.50 115.26 120.22 2kh2 n ASN 53 Ca 0.00 -1.31 0.00 0.00 -0.60 0.00 0.00 54.58 52.67 2kh2 n ASN 53 Cb 0.00 0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.35 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2kh2 n ASP 54 N -0.05 0.13 -4.62 1.20 5.75 -1.26 -5.05 116.55 112.65 2kh2 n ASP 54 Ca 0.15 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.53 2kh2 n ASP 54 Cb 0.39 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.41 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 -1.03 4.08 -0.04 0.11 2.20 -1.25 -3.65 119.74 120.15 2kh2 s LYS 55 Ca 0.00 0.30 0.02 0.00 -0.36 0.00 0.00 55.97 55.93 2kh2 s LYS 55 Cb 0.00 -3.64 0.01 0.00 -1.51 0.00 0.00 37.83 32.69 2kh2 s LYS 55 CO 0.00 -0.32 -0.09 0.42 -0.36 0.00 0.00 175.35 175.00 2kh2 s ILE 56 N 2.19 0.87 -0.30 5.43 -1.09 -0.70 -1.50 121.20 126.10 2kh2 s ILE 56 Ca 0.21 -0.37 -0.29 0.00 -2.23 0.00 0.00 60.65 57.97 2kh2 s ILE 56 Cb -0.16 -0.79 0.01 0.00 -1.58 0.00 0.00 42.46 39.94 2kh2 s ILE 56 CO 0.09 0.28 1.16 -2.16 -1.23 0.00 0.00 174.94 173.08 2kh2 s PRO 57 N 0.44 4.04 0.11 2.79 0.04 -1.23 -0.92 135.00 140.26 2kh2 s PRO 57 Ca -0.08 1.18 0.03 0.00 0.04 0.00 0.00 61.00 62.17 2kh2 s PRO 57 Cb -0.12 -3.78 -0.04 0.00 0.04 0.00 0.00 34.50 30.60 2kh2 s PRO 57 CO 0.01 -0.95 -0.09 0.14 0.04 0.00 0.00 177.00 176.16 2kh2 s VAL 58 N 3.85 0.89 0.11 -0.36 -7.23 0.48 -2.36 120.40 115.78 2kh2 s VAL 58 Ca 0.49 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 2kh2 s VAL 58 Cb -0.14 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 2kh2 s VAL 58 CO 0.17 -0.74 0.14 0.00 -0.31 0.00 0.00 175.10 174.37 2kh2 s ALA 59 N -3.15 3.70 -0.20 1.32 0.00 0.98 -0.01 121.76 124.39 2kh2 s ALA 59 Ca 0.11 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 2kh2 s ALA 59 Cb 0.02 -1.53 0.05 0.00 0.00 0.00 0.00 23.12 21.66 2kh2 s ALA 59 CO -0.02 0.67 -0.04 -0.51 0.00 0.00 0.00 175.76 175.86 2kh2 s LEU 60 N -2.70 2.02 0.32 0.00 1.43 -1.26 -1.78 118.68 116.71 2kh2 s LEU 60 Ca 0.31 -0.93 0.03 0.00 -1.03 0.00 0.00 54.13 52.51 2kh2 s LEU 60 Cb -0.12 -1.01 -0.05 0.00 0.03 0.00 0.00 46.19 45.05 2kh2 s LEU 60 CO 0.24 -0.22 0.09 -0.83 0.23 0.00 0.00 176.35 175.86 2kh2 s GLY 61 N 1.54 2.09 0.26 -3.19 0.00 -0.96 -1.10 107.32 105.96 2kh2 s GLY 61 Ca -0.03 -1.84 -0.22 0.00 0.00 0.00 0.00 44.72 42.63 2kh2 s GLY 61 CO -0.07 -1.75 0.81 1.08 0.00 0.00 0.00 173.10 173.17 2kh2 s LEU 62 N -3.46 4.35 -0.32 0.66 1.02 -0.38 0.21 118.68 120.75 2kh2 s LEU 62 Ca 0.34 1.59 -0.36 0.00 0.02 0.00 0.00 54.13 55.73 2kh2 s LEU 62 Cb 0.07 -3.74 -0.12 0.00 0.02 0.00 0.00 46.19 42.42 2kh2 s LEU 62 CO 0.15 0.00 2.12 1.17 0.02 0.00 0.00 176.35 179.80 2kh2 n LYS 63 N 0.69 1.16 -3.46 1.70 4.81 -0.68 -1.45 118.16 120.93 2kh2 n LYS 63 Ca -0.01 0.34 -0.25 0.00 -0.87 0.00 0.00 58.31 57.53 2kh2 n LYS 63 Cb 0.51 -2.42 -0.00 0.00 0.02 0.00 0.00 35.03 33.13 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 7.76 -3.66 -4.51 1.64 0.28 -1.26 -4.97 120.64 115.92 2kh2 n GLU 64 Ca 0.38 0.50 -0.22 0.00 -0.16 0.00 0.00 57.16 57.67 2kh2 n GLU 64 Cb 0.22 -5.24 -0.14 0.00 1.43 0.00 0.00 31.44 27.71 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 -6.12 1.10 -0.13 3.44 -0.14 -0.53 -5.03 119.74 112.33 2kh2 s LYS 65 Ca 0.45 -0.74 -0.03 0.00 -1.36 0.00 0.00 55.97 54.30 2kh2 s LYS 65 Cb -0.23 -1.12 -0.03 0.00 -1.68 0.00 0.00 37.83 34.77 2kh2 s LYS 65 CO 0.55 0.29 2.59 0.27 -0.76 0.00 0.00 175.35 178.29 2kh2 n ASN 66 N 2.11 5.71 -4.02 2.83 6.94 -1.26 -4.24 115.26 123.32 2kh2 n ASN 66 Ca -0.17 -2.68 -0.28 0.00 -0.02 0.00 0.00 54.58 51.43 2kh2 n ASN 66 Cb 0.54 -1.22 -0.17 0.00 -2.36 0.00 0.00 39.78 36.58 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 -0.68 1.63 0.13 -4.53 1.43 -1.26 -0.97 118.68 114.43 2kh2 s LEU 67 Ca 0.34 -0.41 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 2kh2 s LEU 67 Cb 0.20 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 2kh2 s LEU 67 CO -0.03 -0.01 -0.20 -0.31 0.23 0.00 0.00 176.35 176.03 2kh2 s TYR 68 N 1.14 1.80 -0.08 0.29 1.51 -0.67 -1.25 117.35 120.09 2kh2 s TYR 68 Ca -0.04 -0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 55.28 2kh2 s TYR 68 Cb -0.14 -0.95 -0.04 0.00 -0.11 0.00 0.00 41.96 40.72 2kh2 s TYR 68 CO -0.03 0.26 1.35 -0.51 -1.11 0.00 0.00 175.55 175.50 2kh2 s LEU 69 N -2.24 4.26 -0.04 -1.29 1.43 -0.26 -0.82 118.68 119.72 2kh2 s LEU 69 Ca 0.10 1.93 0.07 0.00 -1.03 0.00 0.00 54.13 55.20 2kh2 s LEU 69 Cb -0.08 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 2kh2 s LEU 69 CO 0.05 -0.74 -0.25 -0.55 0.23 0.00 0.00 176.35 175.10 2kh2 s SER 70 N 2.04 3.13 -0.33 2.29 0.15 0.11 -4.46 113.70 116.64 2kh2 s SER 70 Ca 0.60 -0.48 -0.06 0.00 0.70 0.00 0.00 55.95 56.72 2kh2 s SER 70 Cb -0.27 -0.67 0.03 0.00 -1.71 0.00 0.00 66.02 63.40 2kh2 s SER 70 CO 0.22 0.28 0.09 0.00 1.20 0.00 0.00 173.24 175.02 2kh2 s VAL 72 N 1.41 0.76 -0.35 0.00 -7.23 -1.09 -4.68 120.40 109.22 2kh2 s VAL 72 Ca -0.01 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 57.98 2kh2 s VAL 72 Cb -0.19 -2.08 -0.00 0.00 0.56 0.00 0.00 36.38 34.67 2kh2 s VAL 72 CO 0.02 -0.52 0.56 -0.76 -0.31 0.00 0.00 175.10 174.09 2kh2 s LEU 73 N -3.18 4.32 -0.15 1.32 1.43 -1.26 0.05 118.68 121.22 2kh2 s LEU 73 Ca 0.23 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2kh2 s LEU 73 Cb 0.06 -2.66 0.02 0.00 0.03 0.00 0.00 46.19 43.64 2kh2 s LEU 73 CO 0.03 -0.53 -0.17 -0.54 0.23 0.00 0.00 176.35 175.38 2kh2 s LYS 74 N 2.51 2.57 -1.21 1.70 1.02 0.06 -4.74 119.74 121.64 2kh2 s LYS 74 Ca 0.21 -0.67 -0.02 0.00 0.02 0.00 0.00 55.97 55.51 2kh2 s LYS 74 Cb -0.15 -2.25 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 2kh2 s LYS 74 CO 0.14 -0.18 0.87 -3.47 -0.92 0.00 0.00 175.35 171.78 2kh2 n ASP 75 N 4.58 -2.59 -1.64 2.83 4.64 -1.26 -1.96 116.55 121.14 2kh2 n ASP 75 Ca -0.19 -0.73 -0.21 0.00 -1.38 0.00 0.00 54.79 52.29 2kh2 n ASP 75 Cb 0.50 -4.66 -0.08 0.00 -1.04 0.00 0.00 41.12 35.84 2kh2 n ASP 75 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2kh2 n ASP 76 N -3.09 -5.48 -3.72 1.67 10.43 -1.26 -4.96 116.55 110.13 2kh2 n ASP 76 Ca -0.25 0.48 -0.14 0.00 2.57 0.00 0.00 54.79 57.46 2kh2 n ASP 76 Cb 0.66 -4.83 -0.14 0.00 1.84 0.00 0.00 41.12 38.65 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 -3.83 0.12 0.01 -1.24 2.47 -0.83 -5.11 119.74 111.33 2kh2 s LYS 77 Ca 0.00 0.48 -0.30 0.00 -1.56 0.00 0.00 55.97 54.59 2kh2 s LYS 77 Cb 0.00 -0.16 -0.09 0.00 -1.46 0.00 0.00 37.83 36.12 2kh2 s LYS 77 CO 0.00 -0.20 2.00 -2.30 0.16 0.00 0.00 175.35 175.01 2kh2 n PRO 78 N 4.49 2.77 -4.72 4.03 -0.02 -1.26 -0.76 135.00 139.53 2kh2 n PRO 78 Ca -0.21 1.00 -0.25 0.00 -2.02 0.00 0.00 63.50 62.02 2kh2 n PRO 78 Cb 0.52 -3.02 -0.16 0.00 -0.02 0.00 0.00 33.50 30.82 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 4.79 1.28 0.28 3.45 2.01 0.11 -4.70 115.64 122.86 2kh2 s THR 79 Ca 0.90 -0.61 -0.28 0.00 0.31 0.00 0.00 61.69 62.01 2kh2 s THR 79 Cb -0.44 -1.12 -0.09 0.00 0.01 0.00 0.00 72.50 70.86 2kh2 s THR 79 CO 0.42 0.38 0.96 -0.22 -0.69 0.00 0.00 174.62 175.47 2kh2 s LEU 80 N 0.23 4.51 0.28 4.42 2.96 -1.26 -2.65 118.68 127.16 2kh2 s LEU 80 Ca -0.07 1.95 -0.14 0.00 -0.22 0.00 0.00 54.13 55.65 2kh2 s LEU 80 Cb -0.12 -3.78 0.01 0.00 0.50 0.00 0.00 46.19 42.80 2kh2 s LEU 80 CO 0.03 0.02 0.57 0.00 -1.32 0.00 0.00 176.35 175.65 2kh2 s GLN 81 N -1.56 1.72 -0.21 1.98 -2.07 -0.11 -4.88 119.66 114.53 2kh2 s GLN 81 Ca 0.45 -1.26 -0.06 0.00 -1.82 0.00 0.00 55.36 52.67 2kh2 s GLN 81 Cb -0.24 0.52 -0.03 0.00 -1.09 0.00 0.00 33.01 32.17 2kh2 s GLN 81 CO 0.30 -0.75 0.04 -0.51 -1.32 0.00 0.00 175.29 173.05 2kh2 s LEU 82 N -3.02 3.49 -0.12 2.60 2.01 -1.26 0.04 118.68 122.42 2kh2 s LEU 82 Ca 0.20 -0.11 -0.00 0.00 0.01 0.00 0.00 54.13 54.23 2kh2 s LEU 82 Cb -0.02 -1.90 -0.02 0.00 0.01 0.00 0.00 46.19 44.26 2kh2 s LEU 82 CO 0.10 0.08 -0.12 -1.61 1.01 0.00 0.00 176.35 175.80 2kh2 s GLU 83 N 0.95 3.29 0.01 1.70 2.02 -0.00 -4.91 118.70 121.75 2kh2 s GLU 83 Ca 0.03 -0.67 -0.30 0.00 0.02 0.00 0.00 54.97 54.05 2kh2 s GLU 83 Cb -0.14 -2.63 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 2kh2 s GLU 83 CO 0.02 0.28 1.12 -1.12 0.02 0.00 0.00 175.26 175.58 2kh2 s SER 84 N 0.18 7.18 0.26 -0.19 0.01 -1.26 -1.67 113.70 118.22 2kh2 s SER 84 Ca -0.07 1.84 0.09 0.00 1.31 0.00 0.00 55.95 59.12 2kh2 s SER 84 Cb -0.15 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.46 2kh2 s SER 84 CO 0.05 -0.42 -0.14 0.68 0.41 0.00 0.00 173.24 173.82 2kh2 s VAL 85 N 1.30 2.03 -0.15 3.43 -7.23 -0.14 -5.00 120.40 114.63 2kh2 s VAL 85 Ca 0.55 -2.26 -0.29 0.00 -1.81 0.00 0.00 61.98 58.18 2kh2 s VAL 85 Cb -0.25 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 2kh2 s VAL 85 CO 0.27 -0.41 1.89 -0.62 -0.31 0.00 0.00 175.10 175.91 2kh2 s ASP 86 N -3.45 6.12 0.39 4.85 3.68 -1.26 -4.80 116.67 122.20 2kh2 s ASP 86 Ca 0.28 1.97 0.28 0.00 2.13 0.00 0.00 52.55 57.21 2kh2 s ASP 86 Cb -0.01 -2.53 1.31 0.00 -1.45 0.00 0.00 42.92 40.25 2kh2 s ASP 86 CO 0.12 -1.41 1.84 1.55 0.13 0.00 0.00 175.17 177.39 2kh2 h PRO 87 N 11.98 0.00 0.00 4.34 0.13 -1.92 -1.33 132.00 145.19 2kh2 h PRO 87 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2kh2 h PRO 87 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kh2 h PRO 87 CO 0.97 0.00 -1.21 0.36 -0.23 0.00 0.00 178.00 177.89 2kh2 n LYS 88 N -2.51 0.34 -0.06 0.86 2.85 -1.26 -4.18 118.16 114.21 2kh2 n LYS 88 Ca 0.00 -0.03 0.04 0.00 -1.05 0.00 0.00 58.31 57.27 2kh2 n LYS 88 Cb 0.16 -1.58 0.07 0.00 -0.65 0.00 0.00 35.03 33.03 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 -2.01 2.13 -4.11 -5.58 3.02 -0.87 -4.99 115.26 102.85 2kh2 n ASN 89 Ca 0.01 -1.65 -0.20 0.00 -0.03 0.00 0.00 54.58 52.71 2kh2 n ASN 89 Cb 0.46 -0.08 -0.14 0.00 -0.61 0.00 0.00 39.78 39.41 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 -0.82 1.13 0.78 3.10 1.51 -0.56 -4.34 117.35 118.16 2kh2 s TYR 90 Ca 0.13 -0.28 -0.12 0.00 -1.01 0.00 0.00 57.07 55.79 2kh2 s TYR 90 Cb 0.07 -0.70 0.18 0.00 -0.11 0.00 0.00 41.96 41.40 2kh2 s TYR 90 CO 0.10 0.00 1.06 -0.35 -1.11 0.00 0.00 175.55 175.26 2kh2 n PRO 91 N 2.33 -0.92 -3.93 -1.71 -0.04 -1.26 -4.77 135.00 124.70 2kh2 n PRO 91 Ca -0.16 -1.79 -0.09 0.00 -0.04 0.00 0.00 63.50 61.42 2kh2 n PRO 91 Cb 0.55 -1.05 -0.07 0.00 -0.04 0.00 0.00 33.50 32.89 2kh2 n PRO 91 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2kh2 s LYS 92 N -5.30 0.98 0.01 0.54 -2.85 -1.26 -5.01 119.74 106.85 2kh2 s LYS 92 Ca 0.61 -1.09 -0.25 0.00 -1.00 0.00 0.00 55.97 54.24 2kh2 s LYS 92 Cb -0.02 0.35 -0.18 0.00 -2.06 0.00 0.00 37.83 35.92 2kh2 s LYS 92 CO 0.43 -0.33 1.36 -0.22 0.10 0.00 0.00 175.35 176.69 2kh2 h LYS 93 N 2.68 -0.08 -4.13 1.78 3.64 -1.87 -3.37 116.57 115.21 2kh2 h LYS 93 Ca -0.33 0.01 -0.76 0.00 -1.27 0.00 0.00 60.65 58.29 2kh2 h LYS 93 Cb 1.21 0.02 -0.24 0.00 -0.41 0.00 0.00 32.23 32.81 2kh2 h LYS 93 CO 0.53 0.27 0.08 0.21 -2.27 0.00 0.00 179.45 178.26 2kh2 s LYS 94 N -4.75 3.35 0.67 1.90 2.47 -1.26 -3.45 119.74 118.67 2kh2 s LYS 94 Ca -0.15 -2.03 -0.01 0.00 -1.56 0.00 0.00 55.97 52.22 2kh2 s LYS 94 Cb 0.03 -4.42 0.09 0.00 -1.46 0.00 0.00 37.83 32.07 2kh2 s LYS 94 CO 0.64 -1.38 0.93 -1.64 0.16 0.00 0.00 175.35 174.06 2kh2 s MET 95 N 1.15 2.01 0.41 4.03 -1.94 -1.26 -5.06 119.30 118.63 2kh2 s MET 95 Ca 0.14 -0.90 -0.25 0.00 -1.71 0.00 0.00 55.69 52.98 2kh2 s MET 95 Cb -0.17 -2.36 -0.08 0.00 2.01 0.00 0.00 34.83 34.23 2kh2 s MET 95 CO -0.04 -1.19 1.15 -1.21 -0.01 0.00 0.00 175.02 173.72 2kh2 s GLU 96 N -5.04 4.03 0.63 2.03 8.01 -1.26 -4.91 118.70 122.19 2kh2 s GLU 96 Ca 0.63 1.78 0.37 0.00 0.01 0.00 0.00 54.97 57.76 2kh2 s GLU 96 Cb -0.08 -2.62 2.13 0.00 -4.31 0.00 0.00 34.13 29.26 2kh2 s GLU 96 CO 0.42 -0.32 2.32 -0.22 0.01 0.00 0.00 175.26 177.47 2kh2 h LYS 97 N 2.54 0.00 0.00 1.61 3.64 -1.97 0.10 116.57 122.49 2kh2 h LYS 97 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2kh2 h LYS 97 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2kh2 h LYS 97 CO 0.62 0.00 0.00 2.89 -2.27 0.00 0.00 179.45 180.69 2kh2 n ARG 98 N -3.46 0.04 -0.00 1.90 1.85 -1.26 -2.80 116.66 112.92 2kh2 n ARG 98 Ca -0.03 0.04 0.05 0.00 -1.00 0.00 0.00 57.85 56.91 2kh2 n ARG 98 Cb 0.08 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.03 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 -1.48 0.01 -3.59 2.89 3.72 0.32 -0.87 117.46 118.46 2kh2 n PHE 99 Ca 0.07 -0.02 -0.37 0.00 -0.05 0.00 0.00 57.45 57.08 2kh2 n PHE 99 Cb 0.31 -0.00 -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 -0.83 5.31 0.06 -4.37 1.01 -1.02 -4.11 120.40 116.45 2kh2 s VAL 100 Ca 0.12 0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.40 2kh2 s VAL 100 Cb 0.08 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2kh2 s VAL 100 CO 0.12 0.29 -0.07 -0.36 0.00 0.00 0.00 175.10 175.09 2kh2 s PHE 101 N 1.42 2.85 -0.49 5.22 0.08 0.98 -1.74 117.98 126.30 2kh2 s PHE 101 Ca 0.09 -0.08 -0.14 0.00 0.12 0.00 0.00 56.93 56.91 2kh2 s PHE 101 Cb -0.15 -1.52 0.10 0.00 -0.57 0.00 0.00 43.02 40.88 2kh2 s PHE 101 CO 0.08 0.42 0.41 -0.80 -0.10 0.00 0.00 175.22 175.23 2kh2 s ASN 102 N -1.92 6.06 -0.56 1.36 0.02 0.26 -0.39 114.94 119.77 2kh2 s ASN 102 Ca 0.21 -1.59 -0.28 0.00 -1.02 0.00 0.00 52.86 50.17 2kh2 s ASN 102 Cb -0.11 -2.15 0.02 0.00 0.02 0.00 0.00 41.25 39.03 2kh2 s ASN 102 CO 0.12 -0.72 1.26 -0.75 0.02 0.00 0.00 177.10 177.03 2kh2 s LYS 103 N 1.57 3.47 0.08 -0.60 2.20 -0.10 -1.05 119.74 125.32 2kh2 s LYS 103 Ca 0.04 0.36 -0.06 0.00 -0.36 0.00 0.00 55.97 55.95 2kh2 s LYS 103 Cb -0.27 -4.04 -0.05 0.00 -1.51 0.00 0.00 37.83 31.96 2kh2 s LYS 103 CO 0.04 -1.73 0.33 0.42 -0.36 0.00 0.00 175.35 174.06 2kh2 s ILE 104 N 5.24 5.21 -0.66 5.43 1.01 0.47 -1.72 121.20 136.18 2kh2 s ILE 104 Ca 0.47 0.12 0.05 0.00 0.00 0.00 0.00 60.65 61.29 2kh2 s ILE 104 Cb -0.09 -3.61 0.18 0.00 0.01 0.00 0.00 42.46 38.95 2kh2 s ILE 104 CO 0.26 0.19 0.51 -0.62 0.00 0.00 0.00 174.94 175.28 2kh2 n GLU 105 N 0.57 1.72 0.00 2.79 1.02 -1.24 -1.49 120.64 124.00 2kh2 n GLU 105 Ca -0.06 -4.35 0.00 0.00 -0.02 0.00 0.00 57.16 52.73 2kh2 n GLU 105 Cb 0.52 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 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 1.92 0.00 0.00 -3.67 -5.35 -1.22 -4.95 119.36 106.09 2kh2 n ILE 106 Ca 0.22 1.38 0.00 0.00 -0.27 0.00 0.00 62.75 64.08 2kh2 n ILE 106 Cb 0.37 -2.37 0.00 0.00 -1.74 0.00 0.00 39.64 35.90 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 -1.83 0.00 -0.19 7.28 0.23 -1.26 -4.96 115.26 114.52 2kh2 n ASN 107 Ca 0.00 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.15 2kh2 n ASN 107 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 2kh2 n ASN 107 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2kh2 n ASN 108 N 0.00 1.37 -4.72 0.53 2.85 -1.26 -4.92 115.26 109.12 2kh2 n ASN 108 Ca 0.00 -1.17 -0.31 0.00 -0.11 0.00 0.00 54.58 52.99 2kh2 n ASN 108 Cb 0.00 0.77 -0.08 0.00 1.24 0.00 0.00 39.78 41.72 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2kh2 s LYS 109 N -2.80 2.69 0.03 1.20 -0.14 -1.26 -4.86 119.74 114.60 2kh2 s LYS 109 Ca 0.12 -0.76 0.07 0.00 -1.36 0.00 0.00 55.97 54.04 2kh2 s LYS 109 Cb 0.17 -2.62 -0.03 0.00 -1.68 0.00 0.00 37.83 33.67 2kh2 s LYS 109 CO 0.75 0.56 -0.19 -0.48 -0.76 0.00 0.00 175.35 175.23 2kh2 s LEU 110 N -2.25 2.55 0.13 3.17 2.34 0.07 -3.42 118.68 121.26 2kh2 s LEU 110 Ca 0.26 -0.42 0.10 0.00 0.06 0.00 0.00 54.13 54.13 2kh2 s LEU 110 Cb -0.12 -1.49 -0.04 0.00 -0.56 0.00 0.00 46.19 43.98 2kh2 s LEU 110 CO 0.19 0.27 -0.21 -1.61 -1.06 0.00 0.00 176.35 173.93 2kh2 s GLU 111 N -1.30 1.65 -0.34 1.48 2.02 -0.56 -0.66 118.70 120.99 2kh2 s GLU 111 Ca 0.14 -1.27 -0.00 0.00 0.02 0.00 0.00 54.97 53.86 2kh2 s GLU 111 Cb -0.10 -2.03 0.08 0.00 0.10 0.00 0.00 34.13 32.18 2kh2 s GLU 111 CO 0.04 0.46 0.06 -0.06 0.02 0.00 0.00 175.26 175.78 2kh2 s PHE 112 N -1.18 3.47 0.28 1.61 0.08 -1.26 -0.40 117.98 120.58 2kh2 s PHE 112 Ca 0.17 -2.33 -0.07 0.00 0.12 0.00 0.00 56.93 54.82 2kh2 s PHE 112 Cb -0.10 -2.59 -0.06 0.00 -0.57 0.00 0.00 43.02 39.69 2kh2 s PHE 112 CO 0.09 -0.89 0.57 -2.00 -0.10 0.00 0.00 175.22 172.88 2kh2 s GLU 113 N 1.13 3.71 -0.06 0.44 2.12 -0.21 -1.68 118.70 124.14 2kh2 s GLU 113 Ca 0.02 0.15 -0.21 0.00 0.36 0.00 0.00 54.97 55.29 2kh2 s GLU 113 Cb -0.21 -2.63 -0.04 0.00 0.26 0.00 0.00 34.13 31.52 2kh2 s GLU 113 CO -0.04 0.23 0.59 0.45 -0.54 0.00 0.00 175.26 175.96 2kh2 s SER 114 N -2.85 6.88 0.17 -1.70 0.15 0.31 0.91 113.70 117.58 2kh2 s SER 114 Ca 0.46 1.06 -0.06 0.00 0.70 0.00 0.00 55.95 58.10 2kh2 s SER 114 Cb -0.11 -2.36 0.06 0.00 -1.71 0.00 0.00 66.02 61.91 2kh2 s SER 114 CO 0.27 -0.01 1.50 0.00 1.20 0.00 0.00 173.24 176.20 2kh2 h ALA 115 N 6.40 0.66 -0.48 5.45 0.00 -1.51 -3.03 119.26 126.76 2kh2 h ALA 115 Ca -0.42 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 53.92 2kh2 h ALA 115 Cb 1.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2kh2 h ALA 115 CO 0.74 0.67 -0.08 0.37 0.00 0.00 0.00 179.25 180.95 2kh2 h GLN 116 N 0.59 0.85 -4.11 0.00 5.75 -1.74 -3.39 115.11 113.05 2kh2 h GLN 116 Ca 0.04 -0.27 -0.63 0.00 -0.15 0.00 0.00 58.65 57.63 2kh2 h GLN 116 Cb 1.02 -0.07 -0.40 0.00 1.07 0.00 0.00 27.48 29.09 2kh2 h GLN 116 CO 0.10 0.90 -0.73 -0.06 -2.65 0.00 0.00 178.83 176.38 2kh2 s PHE 117 N -4.86 2.86 0.40 3.99 0.08 -1.15 -5.07 117.98 114.23 2kh2 s PHE 117 Ca -0.10 -2.49 -0.27 0.00 0.12 0.00 0.00 56.93 54.19 2kh2 s PHE 117 Cb 0.14 -2.40 -0.09 0.00 -0.57 0.00 0.00 43.02 40.09 2kh2 s PHE 117 CO 0.83 -0.91 1.38 -2.14 -0.10 0.00 0.00 175.22 174.28 2kh2 s PRO 118 N 1.10 3.99 0.00 0.24 0.02 -1.22 -2.32 135.00 136.82 2kh2 s PRO 118 Ca 0.11 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.46 2kh2 s PRO 118 Cb -0.19 -2.83 0.00 0.00 0.02 0.00 0.00 34.50 31.50 2kh2 s PRO 118 CO -0.14 -0.54 0.00 0.09 -0.33 0.00 0.00 177.00 176.08 2kh2 n ASN 119 N 0.24 -2.24 -4.32 2.53 5.03 -1.26 -4.98 115.26 110.26 2kh2 n ASN 119 Ca 0.03 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.10 2kh2 n ASN 119 Cb 0.42 -1.09 -0.12 0.00 -1.02 0.00 0.00 39.78 37.96 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 -2.31 3.19 0.24 3.10 0.52 -0.98 -4.33 118.94 118.37 2kh2 s TRP 120 Ca 0.00 -1.16 0.10 0.00 0.02 0.00 0.00 56.10 55.06 2kh2 s TRP 120 Cb 0.00 -2.27 -0.04 0.00 -1.15 0.00 0.00 33.47 30.01 2kh2 s TRP 120 CO 0.00 -0.64 -0.07 0.71 0.02 0.00 0.00 176.95 176.97 2kh2 s TYR 121 N 1.46 2.59 -0.06 -1.98 1.51 0.78 -0.53 117.35 121.13 2kh2 s TYR 121 Ca 0.01 -0.25 -0.30 0.00 -1.01 0.00 0.00 57.07 55.53 2kh2 s TYR 121 Cb -0.18 -1.18 -0.06 0.00 -0.11 0.00 0.00 41.96 40.43 2kh2 s TYR 121 CO 0.03 0.61 1.72 0.42 -1.11 0.00 0.00 175.55 177.21 2kh2 s ILE 122 N -2.18 3.49 0.16 2.71 1.01 -0.68 -0.54 121.20 125.17 2kh2 s ILE 122 Ca 0.29 0.59 0.10 0.00 0.00 0.00 0.00 60.65 61.63 2kh2 s ILE 122 Cb -0.07 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 2kh2 s ILE 122 CO 0.17 -0.08 -0.18 -0.44 0.00 0.00 0.00 174.94 174.42 2kh2 s SER 123 N 3.77 3.81 0.10 3.58 0.01 0.80 -4.34 113.70 121.44 2kh2 s SER 123 Ca 0.76 -0.67 0.05 0.00 1.31 0.00 0.00 55.95 57.41 2kh2 s SER 123 Cb -0.34 -0.48 -0.04 0.00 0.21 0.00 0.00 66.02 65.37 2kh2 s SER 123 CO 0.31 0.14 -0.12 0.42 0.41 0.00 0.00 173.24 174.40 2kh2 s THR 124 N -1.43 1.13 0.44 1.44 -4.23 -0.13 -2.09 115.64 110.77 2kh2 s THR 124 Ca 0.20 -1.61 -0.03 0.00 -1.18 0.00 0.00 61.69 59.08 2kh2 s THR 124 Cb -0.09 -1.37 -0.03 0.00 1.34 0.00 0.00 72.50 72.35 2kh2 s THR 124 CO 0.11 -0.44 0.70 -0.44 -0.54 0.00 0.00 174.62 174.01 2kh2 s SER 125 N -2.32 6.14 0.41 3.99 0.01 -1.26 -0.54 113.70 120.13 2kh2 s SER 125 Ca 0.05 0.65 0.22 0.00 1.31 0.00 0.00 55.95 58.19 2kh2 s SER 125 Cb -0.05 -2.01 0.57 0.00 0.21 0.00 0.00 66.02 64.73 2kh2 s SER 125 CO 0.02 -0.55 1.68 1.56 0.41 0.00 0.00 173.24 176.35 2kh2 h GLN 126 N 0.38 0.00 -7.34 12.44 1.08 -1.97 -3.46 115.11 116.25 2kh2 h GLN 126 Ca -0.48 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.21 2kh2 h GLN 126 Cb 1.22 0.00 0.10 0.00 -0.05 0.00 0.00 27.48 28.75 2kh2 h GLN 126 CO 0.61 0.21 0.37 0.00 -0.95 0.00 0.00 178.83 179.06 2kh2 s ALA 127 N -3.33 2.65 0.21 3.87 0.00 -1.26 -5.04 121.76 118.87 2kh2 s ALA 127 Ca 0.03 0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.88 2kh2 s ALA 127 Cb 0.08 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.95 2kh2 s ALA 127 CO 0.67 -1.26 0.69 -2.00 0.00 0.00 0.00 175.76 173.86 2kh2 s GLU 128 N -5.05 4.18 -1.03 0.00 2.56 -1.26 -4.08 118.70 114.02 2kh2 s GLU 128 Ca 0.58 0.78 -0.03 0.00 0.00 0.00 0.00 54.97 56.30 2kh2 s GLU 128 Cb -0.14 -2.87 0.00 0.00 2.00 0.00 0.00 34.13 33.13 2kh2 s GLU 128 CO 0.55 0.40 0.35 -1.71 -0.56 0.00 0.00 175.26 174.29 2kh2 n ASN 129 N 0.68 -4.48 -4.80 -1.70 5.15 -1.20 -5.01 115.26 103.90 2kh2 n ASN 129 Ca -0.03 -0.17 -0.36 0.00 -0.60 0.00 0.00 54.58 53.43 2kh2 n ASN 129 Cb 0.51 -3.39 -0.07 0.00 -0.53 0.00 0.00 39.78 36.30 2kh2 n ASN 129 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2kh2 s MET 130 N -5.21 3.39 1.13 1.20 -1.94 -1.19 -4.88 119.30 111.80 2kh2 s MET 130 Ca 0.17 -0.23 -0.15 0.00 -1.71 0.00 0.00 55.69 53.77 2kh2 s MET 130 Cb -0.08 -3.09 0.25 0.00 2.01 0.00 0.00 34.83 33.93 2kh2 s MET 130 CO 0.21 0.69 1.07 -2.14 -0.01 0.00 0.00 175.02 174.84 2kh2 s PRO 131 N -0.80 -0.66 -0.16 2.03 0.02 -1.26 -0.13 135.00 134.03 2kh2 s PRO 131 Ca 0.13 0.37 -0.07 0.00 0.02 0.00 0.00 61.00 61.45 2kh2 s PRO 131 Cb -0.12 -1.62 -0.04 0.00 0.02 0.00 0.00 34.50 32.74 2kh2 s PRO 131 CO 0.03 -3.43 0.06 0.08 -0.33 0.00 0.00 177.00 173.41 2kh2 s VAL 132 N -2.81 4.83 0.34 3.83 1.01 -0.16 -4.48 120.40 122.95 2kh2 s VAL 132 Ca 0.68 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.71 2kh2 s VAL 132 Cb -0.17 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2kh2 s VAL 132 CO 0.59 0.50 0.27 2.22 0.00 0.00 0.00 175.10 178.67 2kh2 n PHE 133 N 3.16 -0.69 -3.65 5.22 1.16 -0.89 -4.83 117.46 116.93 2kh2 n PHE 133 Ca -0.17 -2.80 -0.37 0.00 -1.87 0.00 0.00 57.45 52.24 2kh2 n PHE 133 Cb 0.53 0.26 -0.09 0.00 -1.61 0.00 0.00 39.48 38.56 2kh2 n PHE 133 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2kh2 s LEU 134 N 0.00 4.11 0.14 5.98 2.96 -1.26 -0.14 118.68 130.47 2kh2 s LEU 134 Ca 0.38 0.12 0.10 0.00 -0.22 0.00 0.00 54.13 54.51 2kh2 s LEU 134 Cb 0.02 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 2kh2 s LEU 134 CO 0.27 0.06 -0.24 -0.83 -1.32 0.00 0.00 176.35 174.29 2kh2 s GLY 135 N 1.08 1.50 0.00 7.98 0.00 0.30 -4.86 107.32 113.32 2kh2 s GLY 135 Ca 0.08 -1.45 0.07 0.00 0.00 0.00 0.00 44.72 43.42 2kh2 s GLY 135 CO 0.05 -1.45 1.08 0.61 0.00 0.00 0.00 173.10 173.39 2kh2 n GLY 136 N 0.79 2.21 3.28 0.20 0.00 -1.26 -0.15 105.19 110.26 2kh2 n GLY 136 Ca -0.17 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 2kh2 n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kh2 s THR 137 N -0.92 4.20 -0.11 2.61 -4.23 -1.26 -4.86 115.64 111.07 2kh2 s THR 137 Ca 0.13 -1.31 -0.09 0.00 -1.18 0.00 0.00 61.69 59.25 2kh2 s THR 137 Cb 0.07 -3.52 -0.04 0.00 1.34 0.00 0.00 72.50 70.34 2kh2 s THR 137 CO 0.09 -0.43 0.19 -0.54 -0.54 0.00 0.00 174.62 173.39 2kh2 s LYS 138 N 1.43 3.61 0.00 3.99 1.02 -1.26 -4.17 119.74 124.37 2kh2 s LYS 138 Ca 0.02 -0.05 0.00 0.00 0.02 0.00 0.00 55.97 55.97 2kh2 s LYS 138 Cb -0.22 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 2kh2 s LYS 138 CO 0.03 0.70 0.00 0.41 -0.92 0.00 0.00 175.35 175.57 2kh2 n GLY 139 N 2.15 0.52 0.00 -3.33 0.00 -1.26 -5.04 105.19 98.23 2kh2 n GLY 139 Ca -0.18 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.83 1.95 0.16 -0.02 0.00 -1.26 -5.02 105.19 98.17 2kh2 n GLY 140 Ca 0.00 -1.90 -0.15 0.00 0.00 0.00 0.00 46.02 43.97 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 0.46 -7.31 1.61 7.50 -1.96 -3.46 115.11 111.95 2kh2 h GLN 141 Ca 0.00 -0.52 -0.49 0.00 0.50 0.00 0.00 58.65 58.14 2kh2 h GLN 141 Cb 0.00 0.15 0.15 0.00 0.05 0.00 0.00 27.48 27.84 2kh2 h GLN 141 CO 0.00 1.17 0.24 -0.51 -1.50 0.00 0.00 178.83 178.23 2kh2 s ASP 142 N -7.14 3.43 -0.18 1.46 1.01 -1.26 -4.65 116.67 109.34 2kh2 s ASP 142 Ca -0.06 1.64 -0.05 0.00 0.71 0.00 0.00 52.55 54.79 2kh2 s ASP 142 Cb 0.08 -2.30 -0.03 0.00 1.01 0.00 0.00 42.92 41.68 2kh2 s ASP 142 CO 0.88 -2.69 0.00 -0.63 0.21 0.00 0.00 175.17 172.94 2kh2 s ILE 143 N -2.86 4.16 -0.06 0.77 1.01 0.30 -4.80 121.20 119.72 2kh2 s ILE 143 Ca 0.64 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 61.05 2kh2 s ILE 143 Cb -0.19 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 2kh2 s ILE 143 CO 0.57 0.46 0.07 0.35 0.00 0.00 0.00 174.94 176.40 2kh2 n THR 144 N 3.75 0.00 -3.61 2.92 -2.24 -1.26 -0.95 114.28 112.89 2kh2 n THR 144 Ca -0.17 -0.29 -0.36 0.00 -2.27 0.00 0.00 64.05 60.96 2kh2 n THR 144 Cb 0.52 0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 69.47 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 -1.63 6.64 0.18 3.42 -4.77 -1.26 -4.29 116.67 114.97 2kh2 s ASP 145 Ca 0.00 0.78 -0.01 0.00 -3.30 0.00 0.00 52.55 50.02 2kh2 s ASP 145 Cb 0.02 -2.17 -0.04 0.00 -1.09 0.00 0.00 42.92 39.63 2kh2 s ASP 145 CO 0.09 0.25 0.10 -0.36 0.70 0.00 0.00 175.17 175.95 2kh2 s PHE 146 N -1.25 1.12 0.35 2.11 0.08 0.16 -3.56 117.98 117.00 2kh2 s PHE 146 Ca 0.28 -1.30 0.07 0.00 0.12 0.00 0.00 56.93 56.10 2kh2 s PHE 146 Cb -0.14 -0.58 -0.02 0.00 -0.57 0.00 0.00 43.02 41.70 2kh2 s PHE 146 CO 0.15 -0.55 0.37 0.95 -0.10 0.00 0.00 175.22 176.05 2kh2 s THR 147 N -4.05 3.56 -0.19 0.64 -4.23 0.13 -0.75 115.64 110.74 2kh2 s THR 147 Ca 0.34 -1.23 0.01 0.00 -1.18 0.00 0.00 61.69 59.62 2kh2 s THR 147 Cb 0.07 -3.22 0.04 0.00 1.34 0.00 0.00 72.50 70.73 2kh2 s THR 147 CO 0.09 -0.14 -0.11 -0.32 -0.54 0.00 0.00 174.62 173.60 2kh2 s MET 148 N -4.09 2.07 -0.22 3.99 1.75 -1.26 -3.63 119.30 117.92 2kh2 s MET 148 Ca 0.44 -0.77 0.01 0.00 -1.25 0.00 0.00 55.69 54.12 2kh2 s MET 148 Cb -0.07 -2.34 0.05 0.00 2.84 0.00 0.00 34.83 35.31 2kh2 s MET 148 CO 0.28 -0.39 -0.10 -0.65 -0.65 0.00 0.00 175.02 173.51 2kh2 s GLN 149 N 1.42 2.10 0.21 4.11 1.11 -0.84 -4.98 119.66 122.79 2kh2 s GLN 149 Ca 0.00 -1.00 -0.17 0.00 0.01 0.00 0.00 55.36 54.20 2kh2 s GLN 149 Cb -0.15 -2.58 -0.08 0.00 -1.01 0.00 0.00 33.01 29.19 2kh2 s GLN 149 CO -0.09 -0.47 0.67 -0.06 0.01 0.00 0.00 175.29 175.35 2kh2 s PHE 150 N 1.31 3.60 0.52 0.91 0.40 -1.26 0.21 117.98 123.68 2kh2 s PHE 150 Ca -0.03 1.27 0.01 0.00 -0.60 0.00 0.00 56.93 57.57 2kh2 s PHE 150 Cb -0.17 -2.54 -0.01 0.00 0.51 0.00 0.00 43.02 40.82 2kh2 s PHE 150 CO -0.07 0.34 0.00 0.14 0.70 0.00 0.00 175.22 176.32 2kh2 s VAL 151 N -1.56 1.07 -0.61 -0.44 -7.23 -0.94 -4.95 120.40 105.75 2kh2 s VAL 151 Ca 0.43 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.51 2kh2 s VAL 151 Cb -0.15 -2.07 0.16 0.00 0.56 0.00 0.00 36.38 34.87 2kh2 s VAL 151 CO 0.20 0.00 0.48 -0.44 -0.31 0.00 0.00 175.10 175.03 2kh2 s SER 152 N -3.90 5.82 0.00 4.85 0.01 -1.26 -4.75 113.70 114.47 2kh2 s SER 152 Ca 0.03 -2.39 0.00 0.00 1.31 0.00 0.00 55.95 54.89 2kh2 s SER 152 Cb 0.01 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.23 2kh2 s SER 152 CO 0.01 -0.57 0.00 -1.20 0.41 0.00 0.00 173.24 171.90