#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 1.10 -4.18 0.00 0.11 -2.05 -3.37 132.00 123.60 2kh2 h PRO 2 Ca 0.00 -0.30 -0.75 0.00 0.11 0.00 0.00 66.00 65.06 2kh2 h PRO 2 Cb 0.00 -0.13 -0.23 0.00 0.11 0.00 0.00 31.00 30.75 2kh2 h PRO 2 CO 0.00 1.01 -0.01 0.54 -0.21 0.00 0.00 178.00 179.33 2kh2 s VAL 3 N -5.19 5.22 0.06 3.15 0.11 -1.26 -4.93 120.40 117.57 2kh2 s VAL 3 Ca -0.12 -1.69 -0.31 0.00 -2.93 0.00 0.00 61.98 56.94 2kh2 s VAL 3 Cb 0.14 -4.43 -0.06 0.00 -1.53 0.00 0.00 36.38 30.50 2kh2 s VAL 3 CO 0.85 -1.00 1.24 -0.13 -3.33 0.00 0.00 175.10 172.73 2kh2 s ARG 4 N 1.46 4.40 -0.10 1.54 0.52 -1.26 -4.91 118.95 120.60 2kh2 s ARG 4 Ca 0.11 1.83 -0.06 0.00 -0.52 0.00 0.00 55.73 57.08 2kh2 s ARG 4 Cb -0.22 -3.35 0.04 0.00 0.52 0.00 0.00 34.95 31.94 2kh2 s ARG 4 CO -0.00 -0.31 0.24 -1.12 0.02 0.00 0.00 175.30 174.12 2kh2 s SER 5 N 1.12 -0.26 0.29 0.23 0.01 -1.26 0.20 113.70 114.03 2kh2 s SER 5 Ca 0.60 0.50 0.03 0.00 1.31 0.00 0.00 55.95 58.39 2kh2 s SER 5 Cb -0.31 0.44 -0.06 0.00 0.21 0.00 0.00 66.02 66.30 2kh2 s SER 5 CO 0.29 -0.13 0.06 -1.48 0.41 0.00 0.00 173.24 172.39 2kh2 s LEU 6 N 0.82 2.01 -0.01 2.44 0.05 -1.08 -4.96 118.68 117.94 2kh2 s LEU 6 Ca -0.06 -1.36 0.06 0.00 0.05 0.00 0.00 54.13 52.83 2kh2 s LEU 6 Cb -0.07 -0.24 -0.03 0.00 -2.05 0.00 0.00 46.19 43.80 2kh2 s LEU 6 CO -0.05 -0.63 -0.20 0.20 -0.55 0.00 0.00 176.35 175.11 2kh2 s ASN 7 N -3.41 3.56 0.19 1.48 0.01 -1.26 -0.12 114.94 115.39 2kh2 s ASN 7 Ca 0.36 -0.38 -0.21 0.00 -0.71 0.00 0.00 52.86 51.92 2kh2 s ASN 7 Cb 0.08 -0.57 0.05 0.00 0.41 0.00 0.00 41.25 41.22 2kh2 s ASN 7 CO 0.14 0.31 0.60 0.00 -1.51 0.00 0.00 177.10 176.64 2kh2 s THR 9 N -3.81 2.54 -0.01 0.00 2.01 0.11 -0.60 115.64 115.88 2kh2 s THR 9 Ca 0.04 -1.09 0.03 0.00 0.31 0.00 0.00 61.69 60.98 2kh2 s THR 9 Cb -0.02 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 2kh2 s THR 9 CO -0.07 0.47 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.51 2kh2 s LEU 10 N -1.01 3.21 0.00 4.42 1.43 -1.26 -1.24 118.68 124.23 2kh2 s LEU 10 Ca 0.12 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 2kh2 s LEU 10 Cb -0.10 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 2kh2 s LEU 10 CO 0.02 0.30 -0.03 -0.13 0.23 0.00 0.00 176.35 176.73 2kh2 s ARG 11 N -1.32 0.26 0.90 1.70 0.52 -1.22 -3.99 118.95 115.80 2kh2 s ARG 11 Ca 0.16 -0.21 -0.15 0.00 -0.52 0.00 0.00 55.73 55.01 2kh2 s ARG 11 Cb -0.11 -0.19 0.21 0.00 0.52 0.00 0.00 34.95 35.38 2kh2 s ARG 11 CO 0.07 0.05 1.14 -0.40 0.02 0.00 0.00 175.30 176.18 2kh2 n ASP 12 N 2.73 -0.21 0.00 0.23 5.75 -1.04 -0.59 116.55 123.42 2kh2 n ASP 12 Ca -0.14 -1.38 0.04 0.00 -0.01 0.00 0.00 54.79 53.30 2kh2 n ASP 12 Cb 0.58 -0.90 0.19 0.00 -1.03 0.00 0.00 41.12 39.97 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2kh2 n SER 13 N -3.89 0.00 -1.02 -1.12 7.64 -1.24 -1.07 113.62 112.92 2kh2 n SER 13 Ca 0.14 0.47 0.10 0.00 1.01 0.00 0.00 58.87 60.60 2kh2 n SER 13 Cb 0.51 -0.48 0.20 0.00 -1.01 0.00 0.00 64.21 63.43 2kh2 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kh2 n GLN 14 N -1.48 2.38 -1.94 1.43 6.02 -1.26 -4.94 117.38 117.58 2kh2 n GLN 14 Ca 0.02 -2.18 -0.13 0.00 -0.01 0.00 0.00 57.00 54.70 2kh2 n GLN 14 Cb 0.10 -1.45 -0.02 0.00 1.02 0.00 0.00 30.24 29.89 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 1.27 -1.00 -2.73 -1.09 1.13 -0.24 -4.98 117.38 109.75 2kh2 n GLN 15 Ca 0.17 0.75 -0.33 0.00 -1.94 0.00 0.00 57.00 55.66 2kh2 n GLN 15 Cb 0.55 -4.91 -0.06 0.00 0.11 0.00 0.00 30.24 25.92 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 -4.10 4.12 0.06 -1.09 1.02 -1.26 -4.22 119.74 114.27 2kh2 s LYS 16 Ca 0.00 1.02 0.08 0.00 0.02 0.00 0.00 55.97 57.09 2kh2 s LYS 16 Cb 0.00 -2.19 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 2kh2 s LYS 16 CO 0.00 -0.08 -0.20 -1.12 -0.92 0.00 0.00 175.35 173.02 2kh2 s SER 17 N -2.47 3.67 -0.17 2.83 0.01 0.17 -2.51 113.70 115.23 2kh2 s SER 17 Ca 0.60 -0.51 -0.26 0.00 1.31 0.00 0.00 55.95 57.09 2kh2 s SER 17 Cb -0.09 -0.51 -0.01 0.00 0.21 0.00 0.00 66.02 65.61 2kh2 s SER 17 CO 0.19 0.23 0.88 -0.76 0.41 0.00 0.00 173.24 174.19 2kh2 s LEU 18 N -1.60 4.18 0.08 2.44 1.43 -1.26 -1.65 118.68 122.30 2kh2 s LEU 18 Ca 0.15 1.25 0.09 0.00 -1.03 0.00 0.00 54.13 54.58 2kh2 s LEU 18 Cb -0.10 -3.31 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 2kh2 s LEU 18 CO 0.06 -0.44 -0.23 0.68 0.23 0.00 0.00 176.35 176.66 2kh2 s VAL 19 N 2.24 1.85 -0.55 -1.59 -7.23 0.56 -2.90 120.40 112.79 2kh2 s VAL 19 Ca 0.40 -1.46 -0.28 0.00 -1.81 0.00 0.00 61.98 58.83 2kh2 s VAL 19 Cb -0.17 -1.64 0.02 0.00 0.56 0.00 0.00 36.38 35.15 2kh2 s VAL 19 CO 0.12 0.10 1.31 -0.04 -0.31 0.00 0.00 175.10 176.29 2kh2 s MET 20 N -1.63 3.44 0.00 4.82 -1.94 -1.26 -1.38 119.30 121.35 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 -4.06 0.00 0.00 2.01 0.00 0.00 34.83 32.69 2kh2 s MET 20 CO 0.04 -1.76 0.05 0.45 -0.01 0.00 0.00 175.02 173.78 2kh2 n SER 21 N 8.95 0.00 -5.01 3.03 2.88 -0.35 -4.97 113.62 118.16 2kh2 n SER 21 Ca 0.11 0.24 -0.20 0.00 -1.33 0.00 0.00 58.87 57.70 2kh2 n SER 21 Cb 0.49 -0.21 0.06 0.00 -0.75 0.00 0.00 64.21 63.80 2kh2 n SER 21 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2kh2 s GLY 22 N -1.35 1.75 0.57 0.46 0.00 -1.15 -4.94 107.32 102.67 2kh2 s GLY 22 Ca 0.00 -2.08 0.26 0.00 0.00 0.00 0.00 44.72 42.91 2kh2 s GLY 22 CO 0.00 -1.63 2.22 -0.56 0.00 0.00 0.00 173.10 173.12 2kh2 h PRO 23 N 0.18 0.00 -0.29 2.90 0.13 -2.03 -2.68 132.00 130.20 2kh2 h PRO 23 Ca -0.31 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.58 2kh2 h PRO 23 Cb 1.29 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.10 2kh2 h PRO 23 CO 0.41 0.00 -0.91 0.66 -0.23 0.00 0.00 178.00 177.94 2kh2 n TYR 24 N -4.03 0.96 -3.86 1.56 4.01 -1.26 -5.06 117.16 109.48 2kh2 n TYR 24 Ca -0.02 -1.56 -0.12 0.00 -0.16 0.00 0.00 57.90 56.04 2kh2 n TYR 24 Cb 0.11 -0.23 -0.13 0.00 -0.31 0.00 0.00 39.34 38.78 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 -2.56 0.15 -0.02 -0.72 2.12 -1.01 -4.51 118.70 112.14 2kh2 s GLU 25 Ca 0.36 -0.03 0.05 0.00 0.36 0.00 0.00 54.97 55.72 2kh2 s GLU 25 Cb 0.37 0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.81 2kh2 s GLU 25 CO -0.07 -0.02 -0.16 -0.51 -0.54 0.00 0.00 175.26 173.96 2kh2 s LEU 26 N -0.26 1.99 0.13 2.70 1.43 -1.26 -1.21 118.68 122.20 2kh2 s LEU 26 Ca -0.03 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 2kh2 s LEU 26 Cb -0.02 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 2kh2 s LEU 26 CO 0.00 0.18 -0.14 -0.54 0.23 0.00 0.00 176.35 176.08 2kh2 s LYS 27 N -0.27 1.05 -0.17 1.70 1.02 -0.48 -2.31 119.74 120.28 2kh2 s LYS 27 Ca 0.04 -1.28 -0.01 0.00 0.02 0.00 0.00 55.97 54.74 2kh2 s LYS 27 Cb -0.07 -0.90 -0.00 0.00 -0.52 0.00 0.00 37.83 36.33 2kh2 s LYS 27 CO -0.00 0.17 -0.12 0.00 -0.92 0.00 0.00 175.35 174.48 2kh2 s ALA 28 N -2.28 2.60 0.13 5.17 0.00 -0.50 -0.32 121.76 126.56 2kh2 s ALA 28 Ca 0.10 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 2kh2 s ALA 28 Cb -0.04 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 2kh2 s ALA 28 CO 0.03 -0.11 0.05 -0.48 0.00 0.00 0.00 175.76 175.25 2kh2 s LEU 29 N 0.95 1.83 -0.12 0.00 0.05 -0.66 -3.42 118.68 117.30 2kh2 s LEU 29 Ca -0.02 -1.19 -0.29 0.00 0.05 0.00 0.00 54.13 52.67 2kh2 s LEU 29 Cb -0.15 0.27 -0.03 0.00 -2.05 0.00 0.00 46.19 44.24 2kh2 s LEU 29 CO -0.01 -0.71 1.37 -1.00 -0.55 0.00 0.00 176.35 175.45 2kh2 s HIS 30 N -4.02 2.62 -0.30 3.48 3.76 -1.26 0.41 115.29 119.98 2kh2 s HIS 30 Ca 0.23 0.78 0.03 0.00 -0.15 0.00 0.00 55.06 55.96 2kh2 s HIS 30 Cb 0.07 -3.62 0.08 0.00 1.11 0.00 0.00 32.58 30.22 2kh2 s HIS 30 CO 0.01 -2.31 -0.03 -1.17 -0.85 0.00 0.00 174.74 170.39 2kh2 s LEU 31 N 3.54 4.08 0.00 0.89 2.96 -1.26 -4.88 118.68 124.01 2kh2 s LEU 31 Ca 0.60 -1.75 0.11 0.00 -0.22 0.00 0.00 54.13 52.88 2kh2 s LEU 31 Cb -0.25 -1.59 0.18 0.00 0.50 0.00 0.00 46.19 45.03 2kh2 s LEU 31 CO 0.19 -0.28 1.02 0.00 -1.32 0.00 0.00 176.35 175.96 2kh2 n GLN 32 N 4.36 0.00 -0.83 1.98 1.13 -1.26 -4.92 117.38 117.84 2kh2 n GLN 32 Ca -0.06 -1.32 0.00 0.00 -1.94 0.00 0.00 57.00 53.68 2kh2 n GLN 32 Cb 0.42 -0.08 0.00 0.00 0.11 0.00 0.00 30.24 30.69 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kh2 n GLY 33 N 0.21 6.19 0.26 1.08 0.00 -1.26 -5.01 105.19 106.67 2kh2 n GLY 33 Ca -0.02 -2.05 0.17 0.00 0.00 0.00 0.00 46.02 44.13 2kh2 n GLY 33 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2kh2 h GLN 34 N 0.00 0.00 -0.63 1.61 5.75 -2.03 -1.81 115.11 118.00 2kh2 h GLN 34 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2kh2 h GLN 34 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2kh2 h GLN 34 CO 0.00 0.00 0.00 -0.25 -2.65 0.00 0.00 178.83 175.93 2kh2 n ASP 35 N -2.85 1.85 0.26 -0.69 9.92 -1.26 -4.08 116.55 119.70 2kh2 n ASP 35 Ca -0.00 -2.16 0.12 0.00 -0.53 0.00 0.00 54.79 52.21 2kh2 n ASP 35 Cb 0.19 -0.40 0.71 0.00 -0.64 0.00 0.00 41.12 40.99 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 1.13 0.00 0.00 -1.24 4.05 -1.69 -1.63 114.93 115.56 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 0.67 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 2kh2 h MET 36 CO 0.09 0.11 0.00 0.39 0.23 0.00 0.00 176.91 177.73 2kh2 n GLU 37 N -3.83 0.82 -0.05 0.39 -0.58 -1.26 -2.74 120.64 113.40 2kh2 n GLU 37 Ca -0.02 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.82 2kh2 n GLU 37 Cb 0.21 -1.35 0.43 0.00 -0.57 0.00 0.00 31.44 30.16 2kh2 n GLU 37 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2kh2 n GLN 38 N -0.85 1.48 -1.88 3.49 7.27 -0.61 -4.90 117.38 121.38 2kh2 n GLN 38 Ca 0.14 -0.72 -0.41 0.00 0.07 0.00 0.00 57.00 56.08 2kh2 n GLN 38 Cb 0.06 -1.36 -0.02 0.00 2.41 0.00 0.00 30.24 31.34 2kh2 n GLN 38 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 2kh2 s GLN 39 N -1.86 4.18 0.17 3.69 -2.07 -1.11 -4.68 119.66 117.98 2kh2 s GLN 39 Ca 0.31 2.47 -0.26 0.00 -1.82 0.00 0.00 55.36 56.05 2kh2 s GLN 39 Cb 0.16 -3.04 -0.08 0.00 -1.09 0.00 0.00 33.01 28.95 2kh2 s GLN 39 CO 0.24 -0.52 0.82 0.08 -1.32 0.00 0.00 175.29 174.59 2kh2 s VAL 40 N -0.27 4.34 -0.26 3.63 1.01 -1.14 -5.04 120.40 122.67 2kh2 s VAL 40 Ca 0.59 1.80 -0.10 0.00 0.00 0.00 0.00 61.98 64.27 2kh2 s VAL 40 Cb -0.45 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.70 2kh2 s VAL 40 CO 0.49 0.50 0.15 -0.69 0.00 0.00 0.00 175.10 175.55 2kh2 s VAL 41 N -1.01 5.09 -0.19 2.92 1.01 -1.26 -4.61 120.40 122.35 2kh2 s VAL 41 Ca 0.38 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.37 2kh2 s VAL 41 Cb -0.24 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2kh2 s VAL 41 CO 0.27 0.30 0.08 -0.36 0.00 0.00 0.00 175.10 175.40 2kh2 s PHE 42 N 1.48 3.29 -0.25 5.22 0.40 0.23 -1.47 117.98 126.89 2kh2 s PHE 42 Ca 0.07 0.14 -0.24 0.00 -0.60 0.00 0.00 56.93 56.30 2kh2 s PHE 42 Cb -0.15 -2.10 -0.01 0.00 0.51 0.00 0.00 43.02 41.28 2kh2 s PHE 42 CO 0.07 0.20 0.80 -1.12 0.70 0.00 0.00 175.22 175.87 2kh2 s SER 43 N 0.34 6.78 -0.73 1.36 0.01 0.95 -1.37 113.70 121.04 2kh2 s SER 43 Ca 0.04 0.96 -0.13 0.00 1.31 0.00 0.00 55.95 58.13 2kh2 s SER 43 Cb -0.12 -2.42 0.19 0.00 0.21 0.00 0.00 66.02 63.88 2kh2 s SER 43 CO -0.00 -0.50 0.67 -0.32 0.41 0.00 0.00 173.24 173.49 2kh2 s MET 44 N 2.80 3.35 0.13 12.44 1.75 0.84 -2.56 119.30 138.04 2kh2 s MET 44 Ca 0.33 -2.28 -0.25 0.00 -1.25 0.00 0.00 55.69 52.25 2kh2 s MET 44 Cb -0.15 -4.33 -0.07 0.00 2.84 0.00 0.00 34.83 33.12 2kh2 s MET 44 CO 0.08 -1.29 0.75 -1.12 -0.65 0.00 0.00 175.02 172.80 2kh2 s SER 45 N 2.39 7.31 -0.79 1.11 0.01 -1.13 -2.64 113.70 119.97 2kh2 s SER 45 Ca 0.14 1.56 -0.23 0.00 1.31 0.00 0.00 55.95 58.73 2kh2 s SER 45 Cb -0.16 -2.48 0.07 0.00 0.21 0.00 0.00 66.02 63.66 2kh2 s SER 45 CO -0.06 0.17 1.16 -0.36 0.41 0.00 0.00 173.24 174.56 2kh2 s PHE 46 N -0.86 2.62 0.81 2.43 0.40 0.13 -0.88 117.98 122.63 2kh2 s PHE 46 Ca 0.36 -0.61 -0.12 0.00 -0.60 0.00 0.00 56.93 55.96 2kh2 s PHE 46 Cb -0.22 -4.45 0.08 0.00 0.51 0.00 0.00 43.02 38.93 2kh2 s PHE 46 CO 0.25 -1.79 1.14 0.14 0.70 0.00 0.00 175.22 175.66 2kh2 s VAL 47 N 4.44 2.47 -0.99 -0.44 -7.23 -1.01 -4.46 120.40 113.18 2kh2 s VAL 47 Ca 0.31 0.15 -0.18 0.00 -1.81 0.00 0.00 61.98 60.46 2kh2 s VAL 47 Cb -0.10 -3.06 0.13 0.00 0.56 0.00 0.00 36.38 33.91 2kh2 s VAL 47 CO 0.05 -0.20 1.21 -1.58 -0.31 0.00 0.00 175.10 174.26 2kh2 s GLN 48 N -5.41 3.69 0.00 4.82 2.00 -0.35 -4.79 119.66 119.63 2kh2 s GLN 48 Ca 0.61 -1.87 0.00 0.00 -2.00 0.00 0.00 55.36 52.10 2kh2 s GLN 48 Cb -0.12 -4.98 0.00 0.00 0.80 0.00 0.00 33.01 28.71 2kh2 s GLN 48 CO 0.51 -1.80 0.00 0.41 -0.50 0.00 0.00 175.29 173.91 2kh2 n GLY 49 N 5.34 2.05 2.56 2.59 0.00 -1.26 -4.91 105.19 111.56 2kh2 n GLY 49 Ca 0.27 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 1.61 0.90 -0.84 1.61 2.56 -1.26 -5.07 118.70 118.22 2kh2 s GLU 50 Ca 0.00 -1.69 -0.25 0.00 0.00 0.00 0.00 54.97 53.03 2kh2 s GLU 50 Cb 0.00 -1.75 -0.02 0.00 2.00 0.00 0.00 34.13 34.35 2kh2 s GLU 50 CO 0.00 -1.21 1.83 -1.21 -0.56 0.00 0.00 175.26 174.11 2kh2 s GLU 51 N 0.67 2.74 0.79 4.30 2.02 -1.26 -4.27 118.70 123.69 2kh2 s GLU 51 Ca 0.19 -0.18 -0.03 0.00 0.02 0.00 0.00 54.97 54.97 2kh2 s GLU 51 Cb -0.21 -4.89 0.16 0.00 0.10 0.00 0.00 34.13 29.29 2kh2 s GLU 51 CO -0.01 -3.00 1.08 -1.12 0.02 0.00 0.00 175.26 172.23 2kh2 s SER 52 N 7.42 3.95 0.49 -0.19 0.01 0.04 -4.98 113.70 120.44 2kh2 s SER 52 Ca 0.64 -0.39 0.28 0.00 1.31 0.00 0.00 55.95 57.79 2kh2 s SER 52 Cb -0.07 0.18 1.13 0.00 0.21 0.00 0.00 66.02 67.46 2kh2 s SER 52 CO 0.04 -2.15 1.90 -1.13 0.41 0.00 0.00 173.24 172.31 2kh2 h ASN 53 N -0.80 0.00 0.00 2.44 -0.00 -2.01 -3.38 115.58 111.82 2kh2 h ASN 53 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.94 2kh2 h ASN 53 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.57 2kh2 h ASN 53 CO 0.36 0.11 -0.45 -0.90 -0.00 0.00 0.00 177.43 176.55 2kh2 n ASP 54 N -3.26 1.85 -4.57 1.15 5.75 -1.26 -5.02 116.55 111.19 2kh2 n ASP 54 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 2kh2 n ASP 54 Cb 0.37 0.02 -0.05 0.00 -1.03 0.00 0.00 41.12 40.43 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2kh2 s LYS 55 N -1.45 3.66 -0.20 0.11 1.02 -1.26 -2.84 119.74 118.78 2kh2 s LYS 55 Ca 0.00 0.18 -0.03 0.00 0.02 0.00 0.00 55.97 56.14 2kh2 s LYS 55 Cb 0.00 -3.84 -0.01 0.00 -0.52 0.00 0.00 37.83 33.46 2kh2 s LYS 55 CO 0.00 -0.91 -0.05 0.42 -0.92 0.00 0.00 175.35 173.89 2kh2 s ILE 56 N 3.12 3.38 -0.37 2.17 -1.09 -0.34 -0.78 121.20 127.30 2kh2 s ILE 56 Ca 0.30 -0.50 -0.29 0.00 -2.23 0.00 0.00 60.65 57.93 2kh2 s ILE 56 Cb -0.13 -2.52 0.02 0.00 -1.58 0.00 0.00 42.46 38.25 2kh2 s ILE 56 CO 0.18 0.44 1.17 -2.16 -1.23 0.00 0.00 174.94 173.34 2kh2 s PRO 57 N 1.25 3.89 0.16 2.79 0.04 -1.26 -0.55 135.00 141.32 2kh2 s PRO 57 Ca 0.03 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2kh2 s PRO 57 Cb -0.14 -3.84 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 2kh2 s PRO 57 CO -0.02 -1.14 0.04 0.14 0.04 0.00 0.00 177.00 176.06 2kh2 s VAL 58 N 4.18 0.32 0.16 -0.36 -7.23 -0.03 -2.42 120.40 115.02 2kh2 s VAL 58 Ca 0.50 -1.94 0.05 0.00 -1.81 0.00 0.00 61.98 58.78 2kh2 s VAL 58 Cb -0.12 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 2kh2 s VAL 58 CO 0.23 -0.41 0.11 0.00 -0.31 0.00 0.00 175.10 174.72 2kh2 s ALA 59 N -3.90 3.51 -0.26 1.32 0.00 -0.05 -0.07 121.76 122.30 2kh2 s ALA 59 Ca 0.26 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 51.01 2kh2 s ALA 59 Cb 0.07 -1.31 0.07 0.00 0.00 0.00 0.00 23.12 21.95 2kh2 s ALA 59 CO 0.04 0.52 -0.02 -0.51 0.00 0.00 0.00 175.76 175.79 2kh2 s LEU 60 N -3.01 2.87 0.35 0.00 1.43 -1.26 -2.82 118.68 116.24 2kh2 s LEU 60 Ca 0.30 -1.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.06 2kh2 s LEU 60 Cb -0.10 -1.22 -0.05 0.00 0.03 0.00 0.00 46.19 44.85 2kh2 s LEU 60 CO 0.22 -0.27 0.09 -0.83 0.23 0.00 0.00 176.35 175.79 2kh2 s GLY 61 N 1.34 2.26 -0.10 -3.19 0.00 -1.06 -0.83 107.32 105.74 2kh2 s GLY 61 Ca -0.02 -1.69 -0.12 0.00 0.00 0.00 0.00 44.72 42.90 2kh2 s GLY 61 CO -0.09 -1.80 0.28 1.08 0.00 0.00 0.00 173.10 172.57 2kh2 s LEU 62 N -3.52 4.35 0.08 0.66 1.02 -0.72 -0.03 118.68 120.51 2kh2 s LEU 62 Ca 0.31 0.62 -0.30 0.00 0.02 0.00 0.00 54.13 54.78 2kh2 s LEU 62 Cb 0.06 -2.34 -0.10 0.00 0.02 0.00 0.00 46.19 43.83 2kh2 s LEU 62 CO 0.15 0.25 1.92 1.17 0.02 0.00 0.00 176.35 179.86 2kh2 n LYS 63 N 2.63 2.87 -1.04 1.70 4.81 -0.54 -1.31 118.16 127.27 2kh2 n LYS 63 Ca -0.15 1.05 -0.02 0.00 -0.87 0.00 0.00 58.31 58.32 2kh2 n LYS 63 Cb 0.53 -2.98 -0.01 0.00 0.02 0.00 0.00 35.03 32.59 2kh2 n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2kh2 n GLU 64 N 6.74 -0.46 -4.36 1.64 1.02 -1.26 -4.98 120.64 118.97 2kh2 n GLU 64 Ca 0.19 0.29 -0.21 0.00 -0.02 0.00 0.00 57.16 57.41 2kh2 n GLU 64 Cb 0.40 -3.76 -0.13 0.00 -0.02 0.00 0.00 31.44 27.92 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2kh2 s LYS 65 N -1.06 0.99 -0.32 3.49 1.02 -0.43 -5.02 119.74 118.40 2kh2 s LYS 65 Ca 0.00 -0.83 0.02 0.00 0.02 0.00 0.00 55.97 55.18 2kh2 s LYS 65 Cb 0.00 -1.03 0.40 0.00 -0.52 0.00 0.00 37.83 36.68 2kh2 s LYS 65 CO 0.00 0.25 1.70 0.27 -0.92 0.00 0.00 175.35 176.65 2kh2 n ASN 66 N 1.77 4.29 -4.42 2.83 0.23 -1.26 -4.30 115.26 114.39 2kh2 n ASN 66 Ca -0.18 -3.10 -0.35 0.00 -0.53 0.00 0.00 54.58 50.42 2kh2 n ASN 66 Cb 0.54 -0.79 -0.13 0.00 -2.08 0.00 0.00 39.78 37.32 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 -2.21 3.18 0.15 -4.53 1.43 -1.26 -1.18 118.68 114.26 2kh2 s LEU 67 Ca 0.38 -0.23 0.09 0.00 -1.03 0.00 0.00 54.13 53.33 2kh2 s LEU 67 Cb 0.31 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 2kh2 s LEU 67 CO 0.05 0.06 -0.20 -0.31 0.23 0.00 0.00 176.35 176.18 2kh2 s TYR 68 N 1.05 1.87 -0.21 0.29 1.51 -0.34 -1.76 117.35 119.75 2kh2 s TYR 68 Ca 0.02 -0.44 -0.29 0.00 -1.01 0.00 0.00 57.07 55.34 2kh2 s TYR 68 Cb -0.14 -0.96 -0.01 0.00 -0.11 0.00 0.00 41.96 40.74 2kh2 s TYR 68 CO 0.01 0.32 1.32 -0.51 -1.11 0.00 0.00 175.55 175.58 2kh2 s LEU 69 N -2.46 4.06 -0.09 -1.29 1.43 -0.01 -0.50 118.68 119.81 2kh2 s LEU 69 Ca 0.14 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 2kh2 s LEU 69 Cb -0.07 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 2kh2 s LEU 69 CO 0.06 -0.92 -0.08 -0.55 0.23 0.00 0.00 176.35 175.10 2kh2 s SER 70 N 2.49 4.51 -0.35 2.29 0.15 0.73 -4.47 113.70 119.05 2kh2 s SER 70 Ca 0.57 -0.11 -0.07 0.00 0.70 0.00 0.00 55.95 57.04 2kh2 s SER 70 Cb -0.21 -1.32 0.04 0.00 -1.71 0.00 0.00 66.02 62.82 2kh2 s SER 70 CO 0.19 0.29 0.14 0.00 1.20 0.00 0.00 173.24 175.06 2kh2 s VAL 72 N 1.42 0.53 -0.28 0.00 -7.23 -0.85 -4.64 120.40 109.36 2kh2 s VAL 72 Ca -0.00 -1.98 -0.19 0.00 -1.81 0.00 0.00 61.98 58.00 2kh2 s VAL 72 Cb -0.20 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 2kh2 s VAL 72 CO 0.03 -0.28 0.54 -0.76 -0.31 0.00 0.00 175.10 174.33 2kh2 s LEU 73 N -3.21 4.11 -0.15 1.32 1.43 -1.26 0.12 118.68 121.04 2kh2 s LEU 73 Ca 0.30 0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 53.83 2kh2 s LEU 73 Cb 0.07 -2.69 0.04 0.00 0.03 0.00 0.00 46.19 43.64 2kh2 s LEU 73 CO 0.08 -0.36 -0.03 -0.75 0.23 0.00 0.00 176.35 175.52 2kh2 s LYS 74 N 2.39 1.15 -0.90 1.70 2.20 0.23 -4.80 119.74 121.71 2kh2 s LYS 74 Ca 0.22 -0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 55.45 2kh2 s LYS 74 Cb -0.15 -1.82 0.00 0.00 -1.51 0.00 0.00 37.83 34.35 2kh2 s LYS 74 CO 0.10 -0.44 0.76 -3.47 -0.36 0.00 0.00 175.35 171.94 2kh2 n ASP 75 N 4.96 -2.40 -1.12 1.43 4.64 -1.26 -2.76 116.55 120.04 2kh2 n ASP 75 Ca -0.10 -0.45 -0.15 0.00 -1.38 0.00 0.00 54.79 52.71 2kh2 n ASP 75 Cb 0.48 -3.91 -0.06 0.00 -1.04 0.00 0.00 41.12 36.58 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 -2.49 -5.31 -3.76 1.67 9.92 -1.26 -4.97 116.55 110.35 2kh2 n ASP 76 Ca -0.19 0.36 -0.13 0.00 -0.53 0.00 0.00 54.79 54.30 2kh2 n ASP 76 Cb 0.62 -4.10 -0.14 0.00 -0.64 0.00 0.00 41.12 36.86 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2kh2 s LYS 77 N -3.19 0.12 0.05 -1.24 2.47 -1.11 -5.12 119.74 111.72 2kh2 s LYS 77 Ca 0.00 0.37 -0.30 0.00 -1.56 0.00 0.00 55.97 54.47 2kh2 s LYS 77 Cb 0.00 -0.13 -0.08 0.00 -1.46 0.00 0.00 37.83 36.16 2kh2 s LYS 77 CO 0.00 -0.14 1.71 -2.14 0.16 0.00 0.00 175.35 174.94 2kh2 s PRO 78 N 1.01 4.18 0.15 4.03 0.02 -1.26 -0.60 135.00 142.54 2kh2 s PRO 78 Ca -0.08 2.37 0.07 0.00 0.02 0.00 0.00 61.00 63.38 2kh2 s PRO 78 Cb -0.10 -3.74 -0.04 0.00 0.02 0.00 0.00 34.50 30.64 2kh2 s PRO 78 CO -0.05 -0.79 -0.15 0.99 -0.33 0.00 0.00 177.00 176.66 2kh2 s THR 79 N 3.13 1.56 -0.03 0.99 2.01 0.12 -4.65 115.64 118.77 2kh2 s THR 79 Ca 0.76 -1.88 -0.03 0.00 0.31 0.00 0.00 61.69 60.85 2kh2 s THR 79 Cb -0.40 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 2kh2 s THR 79 CO 0.33 -0.42 0.15 -0.22 -0.69 0.00 0.00 174.62 173.77 2kh2 s LEU 80 N -2.69 4.26 0.32 4.42 2.96 -1.26 -2.00 118.68 124.68 2kh2 s LEU 80 Ca 0.14 0.32 -0.17 0.00 -0.22 0.00 0.00 54.13 54.21 2kh2 s LEU 80 Cb -0.04 -2.42 0.03 0.00 0.50 0.00 0.00 46.19 44.25 2kh2 s LEU 80 CO 0.05 0.30 0.69 0.00 -1.32 0.00 0.00 176.35 176.06 2kh2 s GLN 81 N -1.70 1.91 -0.33 1.98 -2.07 -0.56 -4.88 119.66 114.02 2kh2 s GLN 81 Ca 0.24 -1.24 -0.11 0.00 -1.82 0.00 0.00 55.36 52.43 2kh2 s GLN 81 Cb -0.12 0.58 -0.01 0.00 -1.09 0.00 0.00 33.01 32.37 2kh2 s GLN 81 CO 0.14 -0.87 0.19 -0.51 -1.32 0.00 0.00 175.29 172.93 2kh2 s LEU 82 N -3.01 4.33 -0.18 2.60 2.01 -1.26 -0.19 118.68 122.98 2kh2 s LEU 82 Ca 0.16 -0.52 -0.05 0.00 0.01 0.00 0.00 54.13 53.73 2kh2 s LEU 82 Cb -0.04 -2.06 -0.03 0.00 0.01 0.00 0.00 46.19 44.06 2kh2 s LEU 82 CO 0.10 -0.23 0.00 -0.70 1.01 0.00 0.00 176.35 176.54 2kh2 s GLU 83 N 1.65 3.75 -0.27 1.70 2.12 0.34 -4.89 118.70 123.11 2kh2 s GLU 83 Ca 0.05 -0.46 -0.24 0.00 0.36 0.00 0.00 54.97 54.68 2kh2 s GLU 83 Cb -0.17 -3.05 -0.00 0.00 0.26 0.00 0.00 34.13 31.16 2kh2 s GLU 83 CO 0.08 0.19 0.80 -1.12 -0.54 0.00 0.00 175.26 174.67 2kh2 s SER 84 N 0.53 6.73 0.40 -1.70 0.01 -1.26 -1.20 113.70 117.21 2kh2 s SER 84 Ca -0.01 0.83 0.08 0.00 1.31 0.00 0.00 55.95 58.16 2kh2 s SER 84 Cb -0.14 -2.42 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 2kh2 s SER 84 CO 0.02 -0.56 0.12 0.68 0.41 0.00 0.00 173.24 173.92 2kh2 s VAL 85 N 2.89 2.31 -0.07 3.43 -7.23 -0.33 -5.02 120.40 116.38 2kh2 s VAL 85 Ca 0.33 -1.79 -0.34 0.00 -1.81 0.00 0.00 61.98 58.37 2kh2 s VAL 85 Cb -0.15 -2.97 -0.12 0.00 0.56 0.00 0.00 36.38 33.71 2kh2 s VAL 85 CO 0.10 -0.03 1.88 -0.67 -0.31 0.00 0.00 175.10 176.06 2kh2 n ASP 86 N -1.14 3.50 0.21 4.85 2.03 -1.26 -4.86 116.55 119.87 2kh2 n ASP 86 Ca -0.02 0.97 0.15 0.00 0.52 0.00 0.00 54.79 56.41 2kh2 n ASP 86 Cb 0.65 -1.39 0.62 0.00 -0.72 0.00 0.00 41.12 40.28 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 9.19 0.00 0.00 -0.67 0.13 -1.92 -1.99 132.00 136.74 2kh2 h PRO 87 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.95 0.00 -1.62 0.36 -0.23 0.00 0.00 178.00 177.46 2kh2 n LYS 88 N -2.64 0.65 0.00 0.86 2.85 -1.26 -4.31 118.16 114.30 2kh2 n LYS 88 Ca 0.01 -0.13 0.12 0.00 -1.05 0.00 0.00 58.31 57.26 2kh2 n LYS 88 Cb 0.24 -1.37 0.20 0.00 -0.65 0.00 0.00 35.03 33.46 2kh2 n LYS 88 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2kh2 n ASN 89 N -1.98 2.35 -4.06 -5.58 3.02 -1.13 -4.91 115.26 102.99 2kh2 n ASN 89 Ca -0.02 -1.73 -0.13 0.00 -0.03 0.00 0.00 54.58 52.67 2kh2 n ASN 89 Cb 0.40 0.09 -0.12 0.00 -0.61 0.00 0.00 39.78 39.54 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 -2.11 0.66 0.88 3.10 1.51 -0.76 -4.50 117.35 116.13 2kh2 s TYR 90 Ca 0.28 -0.48 -0.12 0.00 -1.01 0.00 0.00 57.07 55.75 2kh2 s TYR 90 Cb 0.20 -0.40 0.17 0.00 -0.11 0.00 0.00 41.96 41.82 2kh2 s TYR 90 CO 0.37 -0.08 1.22 -1.25 -1.11 0.00 0.00 175.55 174.70 2kh2 s PRO 91 N -1.50 1.05 0.14 -1.71 0.04 -1.26 -4.74 135.00 127.02 2kh2 s PRO 91 Ca -0.09 -0.52 -0.09 0.00 0.04 0.00 0.00 61.00 60.34 2kh2 s PRO 91 Cb -0.10 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 2kh2 s PRO 91 CO 0.00 -2.08 0.26 -1.59 0.04 0.00 0.00 177.00 173.64 2kh2 s LYS 92 N -5.67 1.06 0.02 4.56 -2.85 -1.26 -5.07 119.74 110.52 2kh2 s LYS 92 Ca 0.71 -1.08 -0.22 0.00 -1.00 0.00 0.00 55.97 54.38 2kh2 s LYS 92 Cb -0.05 0.37 -0.16 0.00 -2.06 0.00 0.00 37.83 35.93 2kh2 s LYS 92 CO 0.50 -0.38 1.30 -0.22 0.10 0.00 0.00 175.35 176.66 2kh2 h LYS 93 N 2.59 0.28 -4.31 1.78 3.64 -1.91 -3.36 116.57 115.29 2kh2 h LYS 93 Ca -0.32 -0.16 -0.75 0.00 -1.27 0.00 0.00 60.65 58.14 2kh2 h LYS 93 Cb 1.22 0.01 -0.22 0.00 -0.41 0.00 0.00 32.23 32.83 2kh2 h LYS 93 CO 0.50 0.72 0.75 0.21 -2.27 0.00 0.00 179.45 179.36 2kh2 s LYS 94 N -4.17 3.92 0.79 1.90 2.47 -1.26 -1.21 119.74 122.18 2kh2 s LYS 94 Ca -0.15 -2.56 -0.11 0.00 -1.56 0.00 0.00 55.97 51.60 2kh2 s LYS 94 Cb 0.04 -4.77 0.08 0.00 -1.46 0.00 0.00 37.83 31.72 2kh2 s LYS 94 CO 0.74 -1.53 1.14 -1.64 0.16 0.00 0.00 175.35 174.22 2kh2 s MET 95 N 0.76 1.97 0.59 4.03 -1.94 -1.26 -5.02 119.30 118.42 2kh2 s MET 95 Ca 0.32 -0.02 -0.18 0.00 -1.71 0.00 0.00 55.69 54.10 2kh2 s MET 95 Cb -0.07 -2.01 -0.03 0.00 2.01 0.00 0.00 34.83 34.73 2kh2 s MET 95 CO -0.06 -1.54 1.15 -1.21 -0.01 0.00 0.00 175.02 173.35 2kh2 s GLU 96 N -5.50 3.07 0.56 2.03 8.01 -1.26 -4.87 118.70 120.74 2kh2 s GLU 96 Ca 0.62 1.61 0.25 0.00 0.01 0.00 0.00 54.97 57.46 2kh2 s GLU 96 Cb -0.11 -1.97 1.52 0.00 -4.31 0.00 0.00 34.13 29.27 2kh2 s GLU 96 CO 0.48 -1.08 2.10 -0.22 0.01 0.00 0.00 175.26 176.56 2kh2 h LYS 97 N 0.76 0.00 0.00 1.61 1.63 -1.96 0.92 116.57 119.54 2kh2 h LYS 97 Ca -0.49 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 2kh2 h LYS 97 Cb 1.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 2kh2 h LYS 97 CO 0.55 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 179.44 2kh2 n ARG 98 N -4.12 0.19 -0.01 1.90 1.85 -1.26 -2.70 116.66 112.51 2kh2 n ARG 98 Ca 0.02 0.06 0.04 0.00 -1.00 0.00 0.00 57.85 56.97 2kh2 n ARG 98 Cb 0.31 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.26 2kh2 n ARG 98 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2kh2 n PHE 99 N -1.39 0.02 -3.40 2.89 3.72 0.29 -1.20 117.46 118.40 2kh2 n PHE 99 Ca 0.09 -0.04 -0.40 0.00 -0.05 0.00 0.00 57.45 57.05 2kh2 n PHE 99 Cb 0.24 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.69 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 -0.63 5.17 0.11 -4.37 1.01 -1.05 -4.00 120.40 116.64 2kh2 s VAL 100 Ca 0.09 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.27 2kh2 s VAL 100 Cb 0.06 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2kh2 s VAL 100 CO 0.09 -0.05 -0.04 -0.36 0.00 0.00 0.00 175.10 174.74 2kh2 s PHE 101 N 2.03 2.87 -0.49 5.22 0.40 0.90 -2.17 117.98 126.74 2kh2 s PHE 101 Ca 0.12 -0.10 -0.11 0.00 -0.60 0.00 0.00 56.93 56.25 2kh2 s PHE 101 Cb -0.16 -1.47 0.12 0.00 0.51 0.00 0.00 43.02 42.02 2kh2 s PHE 101 CO 0.11 0.47 0.38 -0.80 0.70 0.00 0.00 175.22 176.08 2kh2 s ASN 102 N -2.38 5.82 -0.68 1.36 0.02 0.28 -0.86 114.94 118.50 2kh2 s ASN 102 Ca 0.24 -1.89 -0.27 0.00 -1.02 0.00 0.00 52.86 49.92 2kh2 s ASN 102 Cb -0.11 -2.06 0.01 0.00 0.02 0.00 0.00 41.25 39.11 2kh2 s ASN 102 CO 0.17 -0.73 1.48 -0.75 0.02 0.00 0.00 177.10 177.29 2kh2 s LYS 103 N 1.41 3.02 0.39 -0.60 2.20 0.28 -1.48 119.74 124.98 2kh2 s LYS 103 Ca 0.05 0.12 -0.23 0.00 -0.36 0.00 0.00 55.97 55.56 2kh2 s LYS 103 Cb -0.27 -4.24 -0.11 0.00 -1.51 0.00 0.00 37.83 31.70 2kh2 s LYS 103 CO 0.00 -2.31 0.94 0.42 -0.36 0.00 0.00 175.35 174.04 2kh2 s ILE 104 N 6.84 4.34 -0.56 5.43 1.01 0.79 -1.20 121.20 137.85 2kh2 s ILE 104 Ca 0.47 1.59 0.06 0.00 0.00 0.00 0.00 60.65 62.77 2kh2 s ILE 104 Cb -0.10 -3.73 0.20 0.00 0.01 0.00 0.00 42.46 38.84 2kh2 s ILE 104 CO 0.18 -0.16 0.52 -0.62 0.00 0.00 0.00 174.94 174.86 2kh2 n GLU 105 N -0.24 1.38 0.00 2.79 1.02 -1.13 -2.24 120.64 122.22 2kh2 n GLU 105 Ca 0.05 -3.97 0.00 0.00 -0.02 0.00 0.00 57.16 53.22 2kh2 n GLU 105 Cb 0.53 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 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 1.82 0.00 0.00 -3.67 -5.35 -1.24 -4.87 119.36 106.05 2kh2 n ILE 106 Ca 0.25 1.23 0.00 0.00 -0.27 0.00 0.00 62.75 63.96 2kh2 n ILE 106 Cb 0.43 -2.19 0.00 0.00 -1.74 0.00 0.00 39.64 36.14 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 -1.62 0.00 -0.77 7.28 0.23 -1.26 -4.97 115.26 114.15 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 0.08 0.00 -2.08 0.00 0.00 39.78 37.78 2kh2 n ASN 107 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2kh2 n ASN 108 N 0.00 2.61 -4.35 0.53 5.03 -1.26 -4.93 115.26 112.88 2kh2 n ASN 108 Ca 0.00 -1.80 -0.30 0.00 0.87 0.00 0.00 54.58 53.35 2kh2 n ASN 108 Cb 0.00 -0.01 -0.14 0.00 -1.02 0.00 0.00 39.78 38.61 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2kh2 s LYS 109 N -1.57 1.79 -0.07 3.52 -0.14 -1.26 -4.99 119.74 117.03 2kh2 s LYS 109 Ca 0.23 -1.12 0.02 0.00 -1.36 0.00 0.00 55.97 53.74 2kh2 s LYS 109 Cb 0.16 -1.99 -0.03 0.00 -1.68 0.00 0.00 37.83 34.30 2kh2 s LYS 109 CO 0.24 0.51 -0.11 -0.48 -0.76 0.00 0.00 175.35 174.75 2kh2 s LEU 110 N -1.30 2.93 0.11 3.17 2.34 -0.86 -3.59 118.68 121.48 2kh2 s LEU 110 Ca 0.12 -0.13 0.08 0.00 0.06 0.00 0.00 54.13 54.26 2kh2 s LEU 110 Cb -0.10 -1.62 -0.04 0.00 -0.56 0.00 0.00 46.19 43.87 2kh2 s LEU 110 CO 0.02 0.34 -0.11 -1.61 -1.06 0.00 0.00 176.35 173.93 2kh2 s GLU 111 N -0.66 2.07 -0.39 1.48 2.02 -0.95 -0.12 118.70 122.15 2kh2 s GLU 111 Ca 0.10 -1.07 -0.04 0.00 0.02 0.00 0.00 54.97 53.98 2kh2 s GLU 111 Cb -0.11 -2.27 0.09 0.00 0.10 0.00 0.00 34.13 31.94 2kh2 s GLU 111 CO 0.01 0.50 0.17 -0.06 0.02 0.00 0.00 175.26 175.90 2kh2 s PHE 112 N -1.25 3.48 0.04 1.61 0.08 -1.26 -0.15 117.98 120.53 2kh2 s PHE 112 Ca 0.21 -2.15 -0.04 0.00 0.12 0.00 0.00 56.93 55.07 2kh2 s PHE 112 Cb -0.11 -2.94 -0.05 0.00 -0.57 0.00 0.00 43.02 39.36 2kh2 s PHE 112 CO 0.13 -0.91 0.26 -2.00 -0.10 0.00 0.00 175.22 172.60 2kh2 s GLU 113 N 1.21 3.54 -0.06 0.44 2.12 -0.55 -1.02 118.70 124.38 2kh2 s GLU 113 Ca 0.04 -0.19 -0.24 0.00 0.36 0.00 0.00 54.97 54.94 2kh2 s GLU 113 Cb -0.22 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 2kh2 s GLU 113 CO -0.02 0.61 0.75 0.45 -0.54 0.00 0.00 175.26 176.50 2kh2 s SER 114 N -2.06 7.05 0.20 -1.70 0.15 0.27 0.10 113.70 117.71 2kh2 s SER 114 Ca 0.32 1.26 -0.04 0.00 0.70 0.00 0.00 55.95 58.19 2kh2 s SER 114 Cb -0.13 -2.44 0.16 0.00 -1.71 0.00 0.00 66.02 61.90 2kh2 s SER 114 CO 0.21 -0.15 1.57 0.00 1.20 0.00 0.00 173.24 176.08 2kh2 h ALA 115 N 6.78 0.80 -0.77 5.45 0.00 -1.69 -2.99 119.26 126.84 2kh2 h ALA 115 Ca -0.41 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.03 2kh2 h ALA 115 Cb 1.20 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2kh2 h ALA 115 CO 0.75 0.65 0.33 0.37 0.00 0.00 0.00 179.25 181.35 2kh2 h GLN 116 N 0.57 1.13 -3.78 0.00 5.75 -1.76 -3.38 115.11 113.64 2kh2 h GLN 116 Ca 0.05 -0.19 -0.62 0.00 -0.15 0.00 0.00 58.65 57.75 2kh2 h GLN 116 Cb 0.89 -0.19 -0.40 0.00 1.07 0.00 0.00 27.48 28.85 2kh2 h GLN 116 CO 0.08 0.90 -0.73 -0.06 -2.65 0.00 0.00 178.83 176.37 2kh2 s PHE 117 N -5.55 2.59 0.49 3.99 0.08 -1.13 -5.11 117.98 113.33 2kh2 s PHE 117 Ca -0.12 -2.45 -0.24 0.00 0.12 0.00 0.00 56.93 54.25 2kh2 s PHE 117 Cb 0.16 -2.26 -0.07 0.00 -0.57 0.00 0.00 43.02 40.28 2kh2 s PHE 117 CO 0.83 -0.87 1.36 -2.14 -0.10 0.00 0.00 175.22 174.30 2kh2 s PRO 118 N 0.91 3.49 0.00 0.24 0.02 -1.22 -2.34 135.00 136.10 2kh2 s PRO 118 Ca 0.13 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.40 2kh2 s PRO 118 Cb -0.20 -2.47 0.00 0.00 0.02 0.00 0.00 34.50 31.84 2kh2 s PRO 118 CO -0.11 -0.92 0.00 0.09 -0.33 0.00 0.00 177.00 175.73 2kh2 n ASN 119 N -0.54 -1.16 -4.31 2.53 5.03 -1.26 -4.99 115.26 110.54 2kh2 n ASN 119 Ca 0.07 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.16 2kh2 n ASN 119 Cb 0.44 -0.53 -0.13 0.00 -1.02 0.00 0.00 39.78 38.54 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 -3.01 3.09 0.24 3.10 0.52 -0.99 -4.47 118.94 117.42 2kh2 s TRP 120 Ca 0.00 -1.05 0.11 0.00 0.02 0.00 0.00 56.10 55.18 2kh2 s TRP 120 Cb 0.00 -2.18 -0.05 0.00 -1.15 0.00 0.00 33.47 30.09 2kh2 s TRP 120 CO 0.00 -0.59 -0.19 0.71 0.02 0.00 0.00 176.95 176.91 2kh2 s TYR 121 N 1.47 2.36 0.01 -1.98 1.51 0.08 -0.56 117.35 120.24 2kh2 s TYR 121 Ca 0.03 -0.32 -0.30 0.00 -1.01 0.00 0.00 57.07 55.47 2kh2 s TYR 121 Cb -0.16 -1.09 -0.07 0.00 -0.11 0.00 0.00 41.96 40.53 2kh2 s TYR 121 CO -0.00 0.61 1.55 0.42 -1.11 0.00 0.00 175.55 177.02 2kh2 s ILE 122 N -2.12 3.43 0.19 2.71 1.01 -0.19 -0.31 121.20 125.92 2kh2 s ILE 122 Ca 0.26 0.79 0.06 0.00 0.00 0.00 0.00 60.65 61.76 2kh2 s ILE 122 Cb -0.07 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 2kh2 s ILE 122 CO 0.14 -0.02 -0.11 -0.44 0.00 0.00 0.00 174.94 174.51 2kh2 s SER 123 N 2.36 2.25 -0.10 3.58 0.01 0.65 -4.47 113.70 117.97 2kh2 s SER 123 Ca 0.69 -1.05 -0.09 0.00 1.31 0.00 0.00 55.95 56.82 2kh2 s SER 123 Cb -0.35 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 65.83 2kh2 s SER 123 CO 0.29 -0.27 0.27 -0.89 0.41 0.00 0.00 173.24 173.05 2kh2 s THR 124 N -3.14 -0.01 1.01 1.44 2.01 -0.95 -2.25 115.64 113.76 2kh2 s THR 124 Ca 0.21 0.03 -0.14 0.00 0.31 0.00 0.00 61.69 62.10 2kh2 s THR 124 Cb 0.01 -0.39 0.19 0.00 0.01 0.00 0.00 72.50 72.33 2kh2 s THR 124 CO 0.05 0.01 1.13 -0.44 -0.69 0.00 0.00 174.62 174.68 2kh2 s SER 125 N 0.37 2.58 0.08 3.53 0.01 -1.26 -0.22 113.70 118.78 2kh2 s SER 125 Ca -0.02 0.90 -0.16 0.00 1.31 0.00 0.00 55.95 57.99 2kh2 s SER 125 Cb -0.03 -1.40 -0.12 0.00 0.21 0.00 0.00 66.02 64.67 2kh2 s SER 125 CO -0.02 -3.13 1.35 1.56 0.41 0.00 0.00 173.24 173.42 2kh2 h GLN 126 N -1.89 0.64 -7.25 12.44 1.08 -1.97 -3.45 115.11 114.71 2kh2 h GLN 126 Ca -0.50 -0.41 -0.52 0.00 -1.45 0.00 0.00 58.65 55.77 2kh2 h GLN 126 Cb 1.32 0.05 0.18 0.00 -0.05 0.00 0.00 27.48 28.98 2kh2 h GLN 126 CO 0.53 1.02 0.27 0.00 -0.95 0.00 0.00 178.83 179.70 2kh2 s ALA 127 N -4.10 1.69 0.43 3.87 0.00 -1.26 -5.01 121.76 117.37 2kh2 s ALA 127 Ca -0.12 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 52.38 2kh2 s ALA 127 Cb 0.08 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 2kh2 s ALA 127 CO 0.83 -2.49 0.81 -2.00 0.00 0.00 0.00 175.76 172.91 2kh2 s GLU 128 N -4.48 3.78 -0.62 0.00 2.56 -1.26 -4.04 118.70 114.63 2kh2 s GLU 128 Ca 0.68 0.53 0.00 0.00 0.00 0.00 0.00 54.97 56.18 2kh2 s GLU 128 Cb -0.24 -2.35 0.00 0.00 2.00 0.00 0.00 34.13 33.54 2kh2 s GLU 128 CO 0.55 -0.09 0.00 -1.71 -0.56 0.00 0.00 175.26 173.44 2kh2 n ASN 129 N -1.44 -3.54 -4.79 -1.70 5.15 -1.22 -5.01 115.26 102.71 2kh2 n ASN 129 Ca 0.03 0.13 -0.37 0.00 -0.60 0.00 0.00 54.58 53.77 2kh2 n ASN 129 Cb 0.54 -1.77 -0.06 0.00 -0.53 0.00 0.00 39.78 37.96 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 -2.77 4.03 1.05 1.20 -1.94 -1.25 -4.91 119.30 114.71 2kh2 s MET 130 Ca 0.00 0.20 -0.16 0.00 -1.71 0.00 0.00 55.69 54.02 2kh2 s MET 130 Cb 0.00 -3.32 0.22 0.00 2.01 0.00 0.00 34.83 33.73 2kh2 s MET 130 CO 0.00 0.46 1.15 -1.25 -0.01 0.00 0.00 175.02 175.37 2kh2 s PRO 131 N -0.25 -0.03 -0.20 2.03 0.04 -1.26 -1.42 135.00 133.92 2kh2 s PRO 131 Ca 0.20 0.06 -0.08 0.00 0.04 0.00 0.00 61.00 61.21 2kh2 s PRO 131 Cb -0.14 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2kh2 s PRO 131 CO 0.08 -2.94 0.09 0.08 0.04 0.00 0.00 177.00 174.35 2kh2 s VAL 132 N -3.22 4.99 0.34 -0.36 1.01 -0.98 -4.63 120.40 117.55 2kh2 s VAL 132 Ca 0.69 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.77 2kh2 s VAL 132 Cb -0.12 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 2kh2 s VAL 132 CO 0.55 0.44 0.32 0.72 0.00 0.00 0.00 175.10 177.13 2kh2 s PHE 133 N 0.51 1.64 -0.20 5.22 -0.12 -0.95 -4.83 117.98 119.25 2kh2 s PHE 133 Ca 0.05 -1.61 -0.12 0.00 -0.05 0.00 0.00 56.93 55.20 2kh2 s PHE 133 Cb -0.12 -0.59 -0.05 0.00 -0.63 0.00 0.00 43.02 41.63 2kh2 s PHE 133 CO 0.00 -0.94 0.23 -1.17 -0.05 0.00 0.00 175.22 173.30 2kh2 s LEU 134 N -3.35 4.18 0.16 -1.99 2.96 -1.26 -0.25 118.68 119.12 2kh2 s LEU 134 Ca 0.39 0.32 0.08 0.00 -0.22 0.00 0.00 54.13 54.70 2kh2 s LEU 134 Cb 0.02 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 2kh2 s LEU 134 CO 0.27 0.08 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.38 2kh2 s GLY 135 N 0.71 1.30 -0.11 7.98 0.00 0.57 -4.85 107.32 112.93 2kh2 s GLY 135 Ca 0.12 -1.46 0.14 0.00 0.00 0.00 0.00 44.72 43.53 2kh2 s GLY 135 CO 0.03 -1.52 1.35 0.61 0.00 0.00 0.00 173.10 173.57 2kh2 n GLY 136 N 0.26 3.54 3.20 0.20 0.00 -1.26 -0.75 105.19 110.39 2kh2 n GLY 136 Ca -0.13 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.09 4.75 -0.27 2.61 2.01 -1.26 -4.94 115.64 116.45 2kh2 s THR 137 Ca 0.34 -3.07 -0.27 0.00 0.31 0.00 0.00 61.69 59.00 2kh2 s THR 137 Cb 0.25 -3.97 0.01 0.00 0.01 0.00 0.00 72.50 68.80 2kh2 s THR 137 CO 0.11 -1.01 0.95 -0.75 -0.69 0.00 0.00 174.62 173.23 2kh2 s LYS 138 N -0.44 4.14 0.00 4.92 2.20 -1.26 -3.37 119.74 125.93 2kh2 s LYS 138 Ca 0.21 1.05 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 2kh2 s LYS 138 Cb -0.13 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 2kh2 s LYS 138 CO -0.08 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.64 2kh2 n GLY 139 N 3.73 0.43 0.00 5.54 0.00 -1.26 -5.04 105.19 108.59 2kh2 n GLY 139 Ca 0.09 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.30 1.44 0.13 -0.02 0.00 -1.22 -5.01 105.19 98.22 2kh2 n GLY 140 Ca 0.00 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 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 0.41 -6.81 1.61 7.50 -1.96 -3.45 115.11 112.40 2kh2 h GLN 141 Ca 0.00 -0.70 -0.50 0.00 0.50 0.00 0.00 58.65 57.95 2kh2 h GLN 141 Cb 0.00 0.26 0.01 0.00 0.05 0.00 0.00 27.48 27.80 2kh2 h GLN 141 CO 0.00 1.34 0.45 -0.51 -1.50 0.00 0.00 178.83 178.60 2kh2 s ASP 142 N -7.26 7.28 0.05 1.46 1.01 -1.26 -4.46 116.67 113.48 2kh2 s ASP 142 Ca -0.12 2.19 -0.30 0.00 0.71 0.00 0.00 52.55 55.03 2kh2 s ASP 142 Cb 0.02 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 2kh2 s ASP 142 CO 0.88 -0.13 1.11 -0.63 0.21 0.00 0.00 175.17 176.62 2kh2 s ILE 143 N -1.22 4.32 -0.01 0.77 1.09 0.69 -4.57 121.20 122.27 2kh2 s ILE 143 Ca 0.45 1.68 0.05 0.00 -1.10 0.00 0.00 60.65 61.74 2kh2 s ILE 143 Cb -0.30 -4.08 -0.08 0.00 -1.06 0.00 0.00 42.46 36.95 2kh2 s ILE 143 CO 0.38 0.14 0.11 0.35 -0.10 0.00 0.00 174.94 175.82 2kh2 n THR 144 N 3.81 0.01 -3.44 2.92 -2.24 -1.26 -2.23 114.28 111.85 2kh2 n THR 144 Ca 0.07 -0.11 -0.37 0.00 -2.27 0.00 0.00 64.05 61.37 2kh2 n THR 144 Cb 0.48 0.37 -0.06 0.00 -2.10 0.00 0.00 70.33 69.02 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 -2.58 6.84 0.31 3.42 -4.77 -1.26 -4.15 116.67 114.48 2kh2 s ASP 145 Ca -0.02 1.02 0.03 0.00 -3.30 0.00 0.00 52.55 50.28 2kh2 s ASP 145 Cb 0.03 -2.27 -0.04 0.00 -1.09 0.00 0.00 42.92 39.55 2kh2 s ASP 145 CO 0.20 0.26 0.13 -0.36 0.70 0.00 0.00 175.17 176.10 2kh2 s PHE 146 N -1.20 1.64 0.11 2.11 0.08 0.83 -3.63 117.98 117.94 2kh2 s PHE 146 Ca 0.28 -1.29 0.09 0.00 0.12 0.00 0.00 56.93 56.14 2kh2 s PHE 146 Cb -0.17 -0.94 -0.04 0.00 -0.57 0.00 0.00 43.02 41.30 2kh2 s PHE 146 CO 0.16 -0.41 -0.18 0.95 -0.10 0.00 0.00 175.22 175.64 2kh2 s THR 147 N -3.56 2.85 -0.32 0.64 -4.23 0.24 -2.03 115.64 109.24 2kh2 s THR 147 Ca 0.35 -1.49 -0.08 0.00 -1.18 0.00 0.00 61.69 59.28 2kh2 s THR 147 Cb 0.06 -2.31 0.01 0.00 1.34 0.00 0.00 72.50 71.60 2kh2 s THR 147 CO 0.16 0.11 0.12 -0.32 -0.54 0.00 0.00 174.62 174.15 2kh2 s MET 148 N -2.13 3.07 -0.40 3.99 1.75 -1.26 -3.37 119.30 120.96 2kh2 s MET 148 Ca 0.18 -0.88 -0.03 0.00 -1.25 0.00 0.00 55.69 53.70 2kh2 s MET 148 Cb -0.11 -3.49 0.10 0.00 2.84 0.00 0.00 34.83 34.18 2kh2 s MET 148 CO 0.10 -0.50 0.18 -0.65 -0.65 0.00 0.00 175.02 173.51 2kh2 s GLN 149 N 1.53 2.12 0.03 4.11 1.11 -0.37 -4.96 119.66 123.23 2kh2 s GLN 149 Ca 0.03 -1.71 -0.30 0.00 0.01 0.00 0.00 55.36 53.38 2kh2 s GLN 149 Cb -0.18 -3.55 -0.07 0.00 -1.01 0.00 0.00 33.01 28.20 2kh2 s GLN 149 CO 0.04 -1.00 1.49 -0.06 0.01 0.00 0.00 175.29 175.77 2kh2 s PHE 150 N 1.19 2.72 0.32 0.91 0.40 -1.26 -0.71 117.98 121.54 2kh2 s PHE 150 Ca 0.06 0.64 0.06 0.00 -0.60 0.00 0.00 56.93 57.10 2kh2 s PHE 150 Cb -0.22 -3.78 -0.02 0.00 0.51 0.00 0.00 43.02 39.51 2kh2 s PHE 150 CO -0.03 -2.96 0.41 0.14 0.70 0.00 0.00 175.22 173.48 2kh2 s VAL 151 N 2.40 4.21 -1.36 -0.44 -7.23 -1.18 -4.96 120.40 111.83 2kh2 s VAL 151 Ca 0.68 -1.07 -0.12 0.00 -1.81 0.00 0.00 61.98 59.65 2kh2 s VAL 151 Cb -0.35 -3.45 0.10 0.00 0.56 0.00 0.00 36.38 33.24 2kh2 s VAL 151 CO 0.29 -0.20 2.01 -1.20 -0.31 0.00 0.00 175.10 175.69 2kh2 n SER 152 N -1.54 4.51 0.00 4.85 7.64 -1.26 -4.85 113.62 122.97 2kh2 n SER 152 Ca -0.02 -2.96 0.00 0.00 1.01 0.00 0.00 58.87 56.89 2kh2 n SER 152 Cb 0.58 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83