#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kh2 h PRO 2 N 0.00 0.00 -5.23 0.00 0.13 -2.05 -3.42 132.00 121.42 2kh2 h PRO 2 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 2kh2 h PRO 2 Cb 0.00 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 30.91 2kh2 h PRO 2 CO 0.00 0.48 -0.67 0.54 -0.23 0.00 0.00 178.00 178.12 2kh2 s VAL 3 N -3.67 3.85 0.05 1.56 0.11 -1.26 -5.07 120.40 115.98 2kh2 s VAL 3 Ca -0.01 -0.36 -0.18 0.00 -2.93 0.00 0.00 61.98 58.50 2kh2 s VAL 3 Cb 0.12 -2.71 -0.06 0.00 -1.53 0.00 0.00 36.38 32.20 2kh2 s VAL 3 CO 0.72 0.47 0.53 -0.13 -3.33 0.00 0.00 175.10 173.36 2kh2 s ARG 4 N 0.60 4.12 -0.10 1.54 0.52 -1.26 -4.99 118.95 119.39 2kh2 s ARG 4 Ca -0.02 0.65 -0.09 0.00 -0.52 0.00 0.00 55.73 55.75 2kh2 s ARG 4 Cb -0.14 -3.23 0.02 0.00 0.52 0.00 0.00 34.95 32.12 2kh2 s ARG 4 CO 0.02 0.65 0.26 0.45 0.02 0.00 0.00 175.30 176.70 2kh2 s SER 5 N -1.11 -0.27 0.27 0.23 0.15 -1.26 -0.91 113.70 110.80 2kh2 s SER 5 Ca 0.28 0.51 0.05 0.00 0.70 0.00 0.00 55.95 57.49 2kh2 s SER 5 Cb -0.19 0.52 -0.06 0.00 -1.71 0.00 0.00 66.02 64.59 2kh2 s SER 5 CO 0.18 -0.09 -0.01 -1.48 1.20 0.00 0.00 173.24 173.04 2kh2 s LEU 6 N 0.14 2.29 0.11 3.45 0.05 -0.79 -4.95 118.68 118.98 2kh2 s LEU 6 Ca -0.00 -1.24 0.10 0.00 0.05 0.00 0.00 54.13 53.04 2kh2 s LEU 6 Cb -0.02 -0.42 -0.04 0.00 -2.05 0.00 0.00 46.19 43.66 2kh2 s LEU 6 CO 0.00 -0.47 -0.26 0.20 -0.55 0.00 0.00 176.35 175.27 2kh2 s ASN 7 N -3.39 3.21 0.07 1.48 0.01 -1.26 0.35 114.94 115.41 2kh2 s ASN 7 Ca 0.30 -0.70 -0.27 0.00 -0.71 0.00 0.00 52.86 51.49 2kh2 s ASN 7 Cb 0.06 -0.23 0.08 0.00 0.41 0.00 0.00 41.25 41.57 2kh2 s ASN 7 CO 0.11 0.19 0.86 0.00 -1.51 0.00 0.00 177.10 176.75 2kh2 s THR 9 N -3.29 4.33 -0.16 0.00 -4.23 -0.15 -1.00 115.64 111.14 2kh2 s THR 9 Ca 0.07 -0.32 -0.05 0.00 -1.18 0.00 0.00 61.69 60.20 2kh2 s THR 9 Cb -0.01 -2.86 -0.03 0.00 1.34 0.00 0.00 72.50 70.94 2kh2 s THR 9 CO -0.06 0.54 0.00 -0.76 -0.54 0.00 0.00 174.62 173.80 2kh2 s LEU 10 N -1.09 3.47 -0.01 4.79 1.43 -1.26 -1.18 118.68 124.82 2kh2 s LEU 10 Ca 0.15 -0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 2kh2 s LEU 10 Cb -0.11 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 2kh2 s LEU 10 CO 0.05 0.17 -0.12 -0.13 0.23 0.00 0.00 176.35 176.55 2kh2 s ARG 11 N 0.35 1.03 0.87 1.70 1.81 -1.08 -4.22 118.95 119.40 2kh2 s ARG 11 Ca -0.01 -0.43 -0.09 0.00 -1.72 0.00 0.00 55.73 53.47 2kh2 s ARG 11 Cb -0.13 -0.98 0.18 0.00 -0.45 0.00 0.00 34.95 33.56 2kh2 s ARG 11 CO 0.02 0.25 1.19 0.16 -0.68 0.00 0.00 175.30 176.24 2kh2 s ASP 12 N -0.22 3.54 0.09 0.23 1.47 -1.13 -0.88 116.67 119.77 2kh2 s ASP 12 Ca 0.03 -0.07 0.15 0.00 1.18 0.00 0.00 52.55 53.84 2kh2 s ASP 12 Cb -0.05 -0.07 0.66 0.00 -0.34 0.00 0.00 42.92 43.12 2kh2 s ASP 12 CO -0.00 -2.43 1.47 -1.54 0.68 0.00 0.00 175.17 173.35 2kh2 n SER 13 N -3.40 0.21 -0.46 2.11 3.41 -1.25 -1.32 113.62 112.93 2kh2 n SER 13 Ca 0.16 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 2kh2 n SER 13 Cb 0.60 -0.60 0.30 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.74 1.35 -1.83 4.33 1.13 -1.26 -4.93 117.38 114.42 2kh2 n GLN 14 Ca 0.02 -0.93 -0.07 0.00 -1.94 0.00 0.00 57.00 54.08 2kh2 n GLN 14 Cb 0.15 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 29.01 2kh2 n GLN 14 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2kh2 n GLN 15 N -0.01 -0.56 -3.31 -1.09 1.13 -0.43 -4.93 117.38 108.17 2kh2 n GLN 15 Ca 0.14 0.49 -0.32 0.00 -1.94 0.00 0.00 57.00 55.37 2kh2 n GLN 15 Cb 0.41 -4.37 -0.05 0.00 0.11 0.00 0.00 30.24 26.34 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 -3.79 3.83 0.18 -1.09 1.02 -1.26 -4.00 119.74 114.63 2kh2 s LYS 16 Ca 0.00 0.36 0.11 0.00 0.02 0.00 0.00 55.97 56.46 2kh2 s LYS 16 Cb 0.00 -2.58 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 2kh2 s LYS 16 CO 0.00 0.25 -0.23 -1.12 -0.92 0.00 0.00 175.35 173.32 2kh2 s SER 17 N -2.45 3.49 -0.17 2.83 0.01 0.14 -2.82 113.70 114.73 2kh2 s SER 17 Ca 0.49 -0.81 -0.23 0.00 1.31 0.00 0.00 55.95 56.71 2kh2 s SER 17 Cb -0.11 -0.29 -0.02 0.00 0.21 0.00 0.00 66.02 65.81 2kh2 s SER 17 CO 0.22 0.13 0.71 -0.76 0.41 0.00 0.00 173.24 173.95 2kh2 s LEU 18 N -2.55 4.18 0.19 2.44 1.43 -1.26 -1.35 118.68 121.77 2kh2 s LEU 18 Ca 0.20 1.01 0.10 0.00 -1.03 0.00 0.00 54.13 54.41 2kh2 s LEU 18 Cb -0.08 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 2kh2 s LEU 18 CO 0.09 -0.29 -0.21 0.68 0.23 0.00 0.00 176.35 176.86 2kh2 s VAL 19 N 1.80 2.12 -0.61 -1.59 -7.23 0.86 -0.69 120.40 115.06 2kh2 s VAL 19 Ca 0.33 -2.02 -0.27 0.00 -1.81 0.00 0.00 61.98 58.21 2kh2 s VAL 19 Cb -0.16 -2.02 0.01 0.00 0.56 0.00 0.00 36.38 34.77 2kh2 s VAL 19 CO 0.12 -0.23 1.50 -0.04 -0.31 0.00 0.00 175.10 176.14 2kh2 s MET 20 N -2.80 3.11 0.00 4.82 -1.94 -1.26 -1.25 119.30 119.97 2kh2 s MET 20 Ca 0.19 0.35 0.00 0.00 -1.71 0.00 0.00 55.69 54.52 2kh2 s MET 20 Cb -0.07 -4.20 0.00 0.00 2.01 0.00 0.00 34.83 32.57 2kh2 s MET 20 CO 0.09 -2.18 0.05 0.45 -0.01 0.00 0.00 175.02 173.42 2kh2 n SER 21 N 10.32 0.00 -0.13 3.03 2.88 0.00 -4.95 113.62 124.77 2kh2 n SER 21 Ca 0.12 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 2kh2 n SER 21 Cb 0.50 0.00 0.00 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 1.91 1.83 0.17 0.46 0.00 -1.22 -4.94 105.19 103.41 2kh2 n GLY 22 Ca 0.00 -1.94 -0.01 0.00 0.00 0.00 0.00 46.02 44.07 2kh2 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kh2 h PRO 23 N 0.00 0.10 -0.35 1.61 0.13 -2.04 -3.32 132.00 128.14 2kh2 h PRO 23 Ca 0.00 -0.06 -0.24 0.00 -0.87 0.00 0.00 66.00 64.83 2kh2 h PRO 23 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 2kh2 h PRO 23 CO 0.00 0.59 -1.07 0.66 -0.23 0.00 0.00 178.00 177.96 2kh2 n TYR 24 N -3.94 1.06 -4.26 1.56 4.01 -1.26 -5.09 117.16 109.25 2kh2 n TYR 24 Ca -0.02 -1.77 -0.17 0.00 -0.16 0.00 0.00 57.90 55.78 2kh2 n TYR 24 Cb 0.54 -0.22 -0.13 0.00 -0.31 0.00 0.00 39.34 39.21 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 -2.95 0.70 -0.03 -0.72 2.12 -1.25 -4.37 118.70 112.19 2kh2 s GLU 25 Ca 0.31 -0.53 0.05 0.00 0.36 0.00 0.00 54.97 55.16 2kh2 s GLU 25 Cb 0.34 -0.64 -0.01 0.00 0.26 0.00 0.00 34.13 34.09 2kh2 s GLU 25 CO -0.06 0.16 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.11 2kh2 s LEU 26 N -0.79 1.99 0.14 2.70 1.43 -1.26 -0.82 118.68 122.07 2kh2 s LEU 26 Ca -0.00 -0.39 0.10 0.00 -1.03 0.00 0.00 54.13 52.81 2kh2 s LEU 26 Cb -0.06 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 2kh2 s LEU 26 CO 0.00 0.21 -0.25 -0.54 0.23 0.00 0.00 176.35 176.01 2kh2 s LYS 27 N -0.21 1.35 -0.22 1.70 1.02 -0.38 -2.38 119.74 120.61 2kh2 s LYS 27 Ca 0.01 -1.34 -0.02 0.00 0.02 0.00 0.00 55.97 54.64 2kh2 s LYS 27 Cb -0.10 -1.75 0.01 0.00 -0.52 0.00 0.00 37.83 35.47 2kh2 s LYS 27 CO 0.01 0.40 -0.09 0.00 -0.92 0.00 0.00 175.35 174.76 2kh2 s ALA 28 N -1.23 2.67 0.06 5.17 0.00 1.00 -0.10 121.76 129.33 2kh2 s ALA 28 Ca 0.13 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 50.73 2kh2 s ALA 28 Cb -0.09 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.46 2kh2 s ALA 28 CO 0.06 -0.49 0.25 -0.48 0.00 0.00 0.00 175.76 175.10 2kh2 s LEU 29 N 1.40 1.11 0.20 0.00 0.05 -0.46 -2.76 118.68 118.23 2kh2 s LEU 29 Ca 0.04 -0.35 -0.32 0.00 0.05 0.00 0.00 54.13 53.55 2kh2 s LEU 29 Cb -0.14 1.20 -0.13 0.00 -2.05 0.00 0.00 46.19 45.07 2kh2 s LEU 29 CO -0.06 -0.64 1.63 1.41 -0.55 0.00 0.00 176.35 178.14 2kh2 n HIS 30 N 0.43 2.54 -3.71 3.48 8.25 -1.26 0.27 115.22 125.21 2kh2 n HIS 30 Ca -0.18 0.18 -0.26 0.00 -0.26 0.00 0.00 57.72 57.21 2kh2 n HIS 30 Cb 0.60 -2.60 -0.17 0.00 1.12 0.00 0.00 29.99 28.94 2kh2 n HIS 30 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2kh2 s LEU 31 N 0.81 0.76 0.00 2.41 2.96 -1.26 -4.85 118.68 119.52 2kh2 s LEU 31 Ca 0.75 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 54.13 2kh2 s LEU 31 Cb -0.58 -0.44 0.00 0.00 0.50 0.00 0.00 46.19 45.67 2kh2 s LEU 31 CO 0.37 -0.29 0.00 0.00 -1.32 0.00 0.00 176.35 175.12 2kh2 n GLN 32 N 5.15 0.29 0.00 1.98 6.02 -1.26 -4.85 117.38 124.71 2kh2 n GLN 32 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 2kh2 n GLN 32 Cb 0.48 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.74 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kh2 n GLY 33 N 0.37 1.45 1.02 1.08 0.00 -1.26 -2.90 105.19 104.94 2kh2 n GLY 33 Ca 0.00 -0.56 0.11 0.00 0.00 0.00 0.00 46.02 45.56 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 3.38 2.32 -0.43 1.61 -0.06 -1.26 -3.96 117.38 118.97 2kh2 n GLN 34 Ca 0.00 -2.01 0.09 0.00 -2.00 0.00 0.00 57.00 53.08 2kh2 n GLN 34 Cb 0.00 -1.47 0.29 0.00 -4.06 0.00 0.00 30.24 24.99 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 1.18 3.72 0.00 1.69 9.92 -1.14 -4.33 116.55 127.58 2kh2 n ASP 35 Ca 0.19 -2.22 0.04 0.00 -0.53 0.00 0.00 54.79 52.27 2kh2 n ASP 35 Cb 0.52 -0.48 0.18 0.00 -0.64 0.00 0.00 41.12 40.70 2kh2 n ASP 35 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 2kh2 n MET 36 N 1.05 0.08 -0.70 -1.24 1.56 -1.23 -2.12 117.12 114.52 2kh2 n MET 36 Ca 0.21 0.26 0.06 0.00 -0.27 0.00 0.00 57.70 57.96 2kh2 n MET 36 Cb 0.66 -1.50 0.33 0.00 2.15 0.00 0.00 33.22 34.86 2kh2 n MET 36 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2kh2 n GLU 37 N -1.34 4.05 0.00 2.12 1.02 -1.26 -4.01 120.64 121.21 2kh2 n GLU 37 Ca 0.03 -2.58 0.07 0.00 -0.02 0.00 0.00 57.16 54.66 2kh2 n GLU 37 Cb 0.07 -2.07 0.04 0.00 -0.02 0.00 0.00 31.44 29.47 2kh2 n GLU 37 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2kh2 n GLN 38 N 0.61 1.07 -2.42 3.49 7.27 -0.90 -5.01 117.38 121.49 2kh2 n GLN 38 Ca 0.23 -1.18 -0.34 0.00 0.07 0.00 0.00 57.00 55.78 2kh2 n GLN 38 Cb 0.98 -1.24 -0.02 0.00 2.41 0.00 0.00 30.24 32.37 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 -1.21 3.67 0.10 3.69 -2.07 -1.26 -4.71 119.66 117.86 2kh2 s GLN 39 Ca 0.15 1.35 -0.26 0.00 -1.82 0.00 0.00 55.36 54.78 2kh2 s GLN 39 Cb 0.11 -2.07 -0.06 0.00 -1.09 0.00 0.00 33.01 29.89 2kh2 s GLN 39 CO 0.20 -0.54 0.81 0.08 -1.32 0.00 0.00 175.29 174.52 2kh2 s VAL 40 N -2.06 4.57 -0.14 3.63 1.01 0.13 -5.02 120.40 122.52 2kh2 s VAL 40 Ca 0.67 1.75 -0.06 0.00 0.00 0.00 0.00 61.98 64.35 2kh2 s VAL 40 Cb -0.17 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2kh2 s VAL 40 CO 0.24 0.40 0.05 -0.69 0.00 0.00 0.00 175.10 175.10 2kh2 s VAL 41 N -0.37 4.73 -0.06 2.92 1.01 -1.26 -4.54 120.40 122.83 2kh2 s VAL 41 Ca 0.39 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 2kh2 s VAL 41 Cb -0.22 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 2kh2 s VAL 41 CO 0.25 0.53 0.00 -0.36 0.00 0.00 0.00 175.10 175.52 2kh2 s PHE 42 N -0.21 3.13 -0.23 5.22 0.40 -0.17 -1.01 117.98 125.12 2kh2 s PHE 42 Ca 0.07 0.16 -0.11 0.00 -0.60 0.00 0.00 56.93 56.45 2kh2 s PHE 42 Cb -0.12 -1.75 -0.05 0.00 0.51 0.00 0.00 43.02 41.61 2kh2 s PHE 42 CO 0.01 0.46 0.19 0.45 0.70 0.00 0.00 175.22 177.04 2kh2 s SER 43 N -1.07 6.18 -0.45 1.36 0.15 0.44 -1.39 113.70 118.92 2kh2 s SER 43 Ca 0.15 0.19 -0.09 0.00 0.70 0.00 0.00 55.95 56.91 2kh2 s SER 43 Cb -0.11 -2.12 0.10 0.00 -1.71 0.00 0.00 66.02 62.18 2kh2 s SER 43 CO 0.05 0.06 0.30 -0.04 1.20 0.00 0.00 173.24 174.81 2kh2 s MET 44 N 0.99 2.50 0.14 5.44 -1.94 0.16 -2.88 119.30 123.71 2kh2 s MET 44 Ca 0.09 -1.65 -0.18 0.00 -1.71 0.00 0.00 55.69 52.25 2kh2 s MET 44 Cb -0.13 -3.85 -0.07 0.00 2.01 0.00 0.00 34.83 32.78 2kh2 s MET 44 CO 0.04 -1.10 0.61 -1.12 -0.01 0.00 0.00 175.02 173.45 2kh2 s SER 45 N 2.41 6.98 -0.71 3.03 0.01 -1.21 -1.88 113.70 122.34 2kh2 s SER 45 Ca 0.05 1.25 -0.26 0.00 1.31 0.00 0.00 55.95 58.30 2kh2 s SER 45 Cb -0.25 -2.35 0.04 0.00 0.21 0.00 0.00 66.02 63.67 2kh2 s SER 45 CO 0.00 0.14 1.18 -0.36 0.41 0.00 0.00 173.24 174.62 2kh2 s PHE 46 N -1.35 2.40 0.48 2.43 0.08 -0.09 -2.01 117.98 119.92 2kh2 s PHE 46 Ca 0.36 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 57.25 2kh2 s PHE 46 Cb -0.17 -4.53 0.02 0.00 -0.57 0.00 0.00 43.02 37.77 2kh2 s PHE 46 CO 0.20 -1.95 0.67 0.14 -0.10 0.00 0.00 175.22 174.18 2kh2 s VAL 47 N 5.23 3.00 -0.11 -0.44 -7.23 -1.20 -4.70 120.40 114.95 2kh2 s VAL 47 Ca 0.31 -0.80 -0.06 0.00 -1.81 0.00 0.00 61.98 59.62 2kh2 s VAL 47 Cb -0.11 -3.07 -0.04 0.00 0.56 0.00 0.00 36.38 33.73 2kh2 s VAL 47 CO 0.14 -0.04 0.11 -1.58 -0.31 0.00 0.00 175.10 173.41 2kh2 s GLN 48 N -4.55 3.33 0.00 4.82 0.74 -1.13 -4.78 119.66 118.09 2kh2 s GLN 48 Ca 0.55 -0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.76 2kh2 s GLN 48 Cb -0.10 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.92 2kh2 s GLN 48 CO 0.36 0.76 0.00 0.41 -0.55 0.00 0.00 175.29 176.27 2kh2 n GLY 49 N 2.01 -0.55 3.52 2.59 0.00 -1.26 -4.85 105.19 106.65 2kh2 n GLY 49 Ca -0.20 0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 3.95 -0.09 1.61 2.56 -1.26 -4.98 118.70 120.49 2kh2 s GLU 50 Ca 0.00 -2.12 -0.15 0.00 0.00 0.00 0.00 54.97 52.69 2kh2 s GLU 50 Cb 0.00 -5.26 -0.05 0.00 2.00 0.00 0.00 34.13 30.82 2kh2 s GLU 50 CO 0.00 -2.00 0.39 -1.21 -0.56 0.00 0.00 175.26 171.88 2kh2 s GLU 51 N 3.06 4.13 0.02 4.30 2.02 -1.26 -3.85 118.70 127.13 2kh2 s GLU 51 Ca 0.46 0.32 -0.01 0.00 0.02 0.00 0.00 54.97 55.76 2kh2 s GLU 51 Cb -0.00 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.88 2kh2 s GLU 51 CO 0.01 0.39 0.04 -1.13 0.02 0.00 0.00 175.26 174.60 2kh2 n SER 52 N 2.92 -0.12 0.01 -0.19 3.41 -0.65 -5.01 113.62 113.99 2kh2 n SER 52 Ca -0.11 -1.10 -0.08 0.00 -0.26 0.00 0.00 58.87 57.31 2kh2 n SER 52 Cb 0.52 0.20 -0.13 0.00 -0.26 0.00 0.00 64.21 64.54 2kh2 n SER 52 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2kh2 h ASN 53 N 0.12 0.01 0.00 4.04 -0.73 -2.01 -3.40 115.58 113.61 2kh2 h ASN 53 Ca -0.02 -0.02 -0.30 0.00 1.87 0.00 0.00 56.30 57.84 2kh2 h ASN 53 Cb 0.07 -0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.61 2kh2 h ASN 53 CO 0.02 1.01 -2.12 -0.90 -0.37 0.00 0.00 177.43 175.08 2kh2 n ASP 54 N -3.17 2.20 -4.52 1.15 5.75 -1.26 -4.89 116.55 111.82 2kh2 n ASP 54 Ca -0.11 -0.09 -0.42 0.00 -0.01 0.00 0.00 54.79 54.17 2kh2 n ASP 54 Cb 1.01 -0.09 -0.09 0.00 -1.03 0.00 0.00 41.12 40.92 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 -2.39 3.36 -0.21 0.11 1.02 -1.26 -2.22 119.74 118.15 2kh2 s LYS 55 Ca -0.23 -0.62 -0.03 0.00 0.02 0.00 0.00 55.97 55.11 2kh2 s LYS 55 Cb 0.06 -3.87 -0.01 0.00 -0.52 0.00 0.00 37.83 33.50 2kh2 s LYS 55 CO 0.49 -0.62 -0.06 0.42 -0.92 0.00 0.00 175.35 174.66 2kh2 s ILE 56 N 1.96 3.31 -0.32 2.17 -1.09 -0.57 -1.64 121.20 125.01 2kh2 s ILE 56 Ca 0.10 -0.52 -0.27 0.00 -2.23 0.00 0.00 60.65 57.73 2kh2 s ILE 56 Cb -0.17 -2.49 0.01 0.00 -1.58 0.00 0.00 42.46 38.23 2kh2 s ILE 56 CO 0.12 0.44 0.99 -2.16 -1.23 0.00 0.00 174.94 173.10 2kh2 s PRO 57 N 1.32 4.01 0.08 2.79 0.04 -1.25 -0.01 135.00 141.98 2kh2 s PRO 57 Ca 0.04 0.90 0.01 0.00 0.04 0.00 0.00 61.00 61.98 2kh2 s PRO 57 Cb -0.14 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.61 2kh2 s PRO 57 CO -0.03 -0.86 -0.05 0.14 0.04 0.00 0.00 177.00 176.24 2kh2 s VAL 58 N 3.48 0.52 0.08 -0.36 -7.23 -0.25 -3.20 120.40 113.43 2kh2 s VAL 58 Ca 0.42 -1.79 -0.07 0.00 -1.81 0.00 0.00 61.98 58.72 2kh2 s VAL 58 Cb -0.13 -1.49 -0.05 0.00 0.56 0.00 0.00 36.38 35.27 2kh2 s VAL 58 CO 0.15 -0.86 0.36 0.00 -0.31 0.00 0.00 175.10 174.45 2kh2 s ALA 59 N -3.45 3.78 -0.32 1.32 0.00 -0.85 -1.10 121.76 121.14 2kh2 s ALA 59 Ca 0.08 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.59 2kh2 s ALA 59 Cb 0.04 -2.18 0.09 0.00 0.00 0.00 0.00 23.12 21.08 2kh2 s ALA 59 CO -0.06 0.62 0.01 -0.51 0.00 0.00 0.00 175.76 175.82 2kh2 s LEU 60 N -2.11 4.22 0.15 0.00 1.43 -1.25 -3.29 118.68 117.83 2kh2 s LEU 60 Ca 0.34 -1.92 0.05 0.00 -1.03 0.00 0.00 54.13 51.58 2kh2 s LEU 60 Cb -0.13 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 2kh2 s LEU 60 CO 0.20 -0.33 -0.11 -0.83 0.23 0.00 0.00 176.35 175.50 2kh2 s GLY 61 N 1.01 1.13 0.19 -3.19 0.00 -1.14 -0.87 107.32 104.46 2kh2 s GLY 61 Ca 0.06 -1.49 -0.30 0.00 0.00 0.00 0.00 44.72 42.99 2kh2 s GLY 61 CO -0.08 -1.59 1.06 1.08 0.00 0.00 0.00 173.10 173.57 2kh2 s LEU 62 N -3.09 4.52 0.40 0.66 1.02 0.39 -0.42 118.68 122.16 2kh2 s LEU 62 Ca 0.17 2.06 -0.27 0.00 0.02 0.00 0.00 54.13 56.11 2kh2 s LEU 62 Cb 0.01 -3.61 -0.10 0.00 0.02 0.00 0.00 46.19 42.51 2kh2 s LEU 62 CO 0.02 -0.14 1.45 1.17 0.02 0.00 0.00 176.35 178.88 2kh2 n LYS 63 N 2.12 2.50 -2.32 1.70 4.81 -0.18 -2.44 118.16 124.34 2kh2 n LYS 63 Ca 0.01 0.88 -0.11 0.00 -0.87 0.00 0.00 58.31 58.22 2kh2 n LYS 63 Cb 0.46 -2.63 -0.01 0.00 0.02 0.00 0.00 35.03 32.87 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 0.24 -2.18 -3.94 1.64 0.00 -1.26 -4.93 120.64 110.21 2kh2 n GLU 64 Ca 0.03 0.55 -0.08 0.00 0.00 0.00 0.00 57.16 57.66 2kh2 n GLU 64 Cb 0.39 -5.10 -0.08 0.00 0.00 0.00 0.00 31.44 26.65 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2kh2 s LYS 65 N -4.80 0.76 -0.42 3.44 1.02 -1.02 -5.04 119.74 113.68 2kh2 s LYS 65 Ca 0.00 -1.06 0.04 0.00 0.02 0.00 0.00 55.97 54.97 2kh2 s LYS 65 Cb 0.00 0.29 0.63 0.00 -0.52 0.00 0.00 37.83 38.23 2kh2 s LYS 65 CO 0.00 -0.21 1.86 0.27 -0.92 0.00 0.00 175.35 176.35 2kh2 n ASN 66 N 0.00 3.72 -4.54 2.83 6.94 -1.26 -4.56 115.26 118.38 2kh2 n ASN 66 Ca -0.15 -3.49 -0.37 0.00 -0.02 0.00 0.00 54.58 50.55 2kh2 n ASN 66 Cb 0.62 -0.82 -0.11 0.00 -2.36 0.00 0.00 39.78 37.11 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 -3.07 3.79 0.08 -4.53 1.43 -1.26 -1.60 118.68 113.51 2kh2 s LEU 67 Ca 0.53 -0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.64 2kh2 s LEU 67 Cb 0.45 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 2kh2 s LEU 67 CO 0.10 -0.02 -0.21 -0.31 0.23 0.00 0.00 176.35 176.14 2kh2 s TYR 68 N 1.53 1.85 -0.16 0.29 1.51 -0.85 -0.46 117.35 121.06 2kh2 s TYR 68 Ca 0.06 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.43 2kh2 s TYR 68 Cb -0.15 -1.05 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 2kh2 s TYR 68 CO 0.07 0.17 1.56 -0.51 -1.11 0.00 0.00 175.55 175.73 2kh2 s LEU 69 N -1.60 4.08 -0.13 -1.29 1.43 -0.05 -1.19 118.68 119.94 2kh2 s LEU 69 Ca 0.08 1.83 -0.02 0.00 -1.03 0.00 0.00 54.13 54.98 2kh2 s LEU 69 Cb -0.10 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 2kh2 s LEU 69 CO 0.03 -1.06 -0.07 -0.55 0.23 0.00 0.00 176.35 174.93 2kh2 s SER 70 N 3.55 4.55 -0.39 2.29 0.15 0.11 -4.40 113.70 119.55 2kh2 s SER 70 Ca 0.69 -0.16 -0.12 0.00 0.70 0.00 0.00 55.95 57.06 2kh2 s SER 70 Cb -0.27 -1.60 0.03 0.00 -1.71 0.00 0.00 66.02 62.47 2kh2 s SER 70 CO 0.27 0.21 0.23 0.00 1.20 0.00 0.00 173.24 175.15 2kh2 s VAL 72 N 1.57 0.82 -0.29 0.00 -7.23 -0.83 -4.70 120.40 109.74 2kh2 s VAL 72 Ca 0.03 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.03 2kh2 s VAL 72 Cb -0.20 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.69 2kh2 s VAL 72 CO 0.07 -0.57 0.49 -0.76 -0.31 0.00 0.00 175.10 174.02 2kh2 s LEU 73 N -3.17 4.14 -0.17 1.32 1.43 -1.26 0.13 118.68 121.10 2kh2 s LEU 73 Ca 0.21 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 2kh2 s LEU 73 Cb 0.05 -2.59 0.03 0.00 0.03 0.00 0.00 46.19 43.70 2kh2 s LEU 73 CO 0.03 -0.33 -0.14 -0.54 0.23 0.00 0.00 176.35 175.59 2kh2 s LYS 74 N 2.30 2.36 -1.26 1.70 1.02 0.69 -4.76 119.74 121.78 2kh2 s LYS 74 Ca 0.19 -0.67 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 2kh2 s LYS 74 Cb -0.16 -2.26 -0.01 0.00 -0.52 0.00 0.00 37.83 34.89 2kh2 s LYS 74 CO 0.11 -0.28 0.77 -3.47 -0.92 0.00 0.00 175.35 171.56 2kh2 n ASP 75 N 4.72 -1.94 -1.30 2.83 4.64 -1.26 -1.80 116.55 122.46 2kh2 n ASP 75 Ca -0.17 -0.79 -0.17 0.00 -1.38 0.00 0.00 54.79 52.28 2kh2 n ASP 75 Cb 0.49 -4.27 -0.07 0.00 -1.04 0.00 0.00 41.12 36.23 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 -3.06 -5.03 -3.76 1.67 9.92 -1.26 -4.99 116.55 110.05 2kh2 n ASP 76 Ca -0.27 0.41 -0.14 0.00 -0.53 0.00 0.00 54.79 54.26 2kh2 n ASP 76 Cb 0.67 -4.01 -0.15 0.00 -0.64 0.00 0.00 41.12 36.99 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 -3.44 0.06 0.01 -1.24 2.47 -0.74 -5.12 119.74 111.74 2kh2 s LYS 77 Ca 0.00 0.31 -0.30 0.00 -1.56 0.00 0.00 55.97 54.42 2kh2 s LYS 77 Cb 0.00 -0.18 -0.08 0.00 -1.46 0.00 0.00 37.83 36.11 2kh2 s LYS 77 CO 0.00 -0.16 1.84 -2.14 0.16 0.00 0.00 175.35 175.05 2kh2 s PRO 78 N 1.08 4.16 0.04 4.03 0.02 -1.26 -0.22 135.00 142.84 2kh2 s PRO 78 Ca -0.08 2.45 0.06 0.00 0.02 0.00 0.00 61.00 63.44 2kh2 s PRO 78 Cb -0.11 -4.05 -0.02 0.00 0.02 0.00 0.00 34.50 30.33 2kh2 s PRO 78 CO -0.05 -0.90 -0.17 0.99 -0.33 0.00 0.00 177.00 176.54 2kh2 s THR 79 N 4.15 1.34 0.08 0.99 2.01 0.12 -4.70 115.64 119.64 2kh2 s THR 79 Ca 0.82 -1.10 -0.09 0.00 0.31 0.00 0.00 61.69 61.63 2kh2 s THR 79 Cb -0.39 -1.19 -0.06 0.00 0.01 0.00 0.00 72.50 70.86 2kh2 s THR 79 CO 0.37 0.07 0.39 -0.22 -0.69 0.00 0.00 174.62 174.54 2kh2 s LEU 80 N -1.19 4.34 0.35 4.42 2.96 -1.26 -1.97 118.68 126.32 2kh2 s LEU 80 Ca 0.04 0.76 -0.14 0.00 -0.22 0.00 0.00 54.13 54.57 2kh2 s LEU 80 Cb -0.08 -3.01 0.04 0.00 0.50 0.00 0.00 46.19 43.64 2kh2 s LEU 80 CO 0.02 0.16 0.70 0.00 -1.32 0.00 0.00 176.35 175.91 2kh2 s GLN 81 N -1.99 2.07 -0.22 1.98 -2.07 -0.42 -4.90 119.66 114.11 2kh2 s GLN 81 Ca 0.34 -1.43 -0.04 0.00 -1.82 0.00 0.00 55.36 52.40 2kh2 s GLN 81 Cb -0.14 0.58 -0.01 0.00 -1.09 0.00 0.00 33.01 32.35 2kh2 s GLN 81 CO 0.19 -0.94 -0.02 -0.51 -1.32 0.00 0.00 175.29 172.68 2kh2 s LEU 82 N -3.08 3.00 -0.11 2.60 2.01 -1.26 0.03 118.68 121.87 2kh2 s LEU 82 Ca 0.18 -0.35 -0.03 0.00 0.01 0.00 0.00 54.13 53.94 2kh2 s LEU 82 Cb -0.04 -1.77 -0.03 0.00 0.01 0.00 0.00 46.19 44.36 2kh2 s LEU 82 CO 0.12 -0.01 0.02 -0.70 1.01 0.00 0.00 176.35 176.79 2kh2 s GLU 83 N 1.45 3.26 -0.97 1.70 2.12 -0.33 -4.90 118.70 121.04 2kh2 s GLU 83 Ca 0.05 -0.38 -0.18 0.00 0.36 0.00 0.00 54.97 54.82 2kh2 s GLU 83 Cb -0.14 -2.91 0.13 0.00 0.26 0.00 0.00 34.13 31.46 2kh2 s GLU 83 CO -0.02 0.60 1.18 -1.12 -0.54 0.00 0.00 175.26 175.36 2kh2 s SER 84 N -0.57 6.67 0.55 -1.70 0.01 -1.26 -2.00 113.70 115.39 2kh2 s SER 84 Ca 0.10 -2.12 -0.10 0.00 1.31 0.00 0.00 55.95 55.15 2kh2 s SER 84 Cb -0.12 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 2kh2 s SER 84 CO 0.02 -1.05 0.92 0.68 0.41 0.00 0.00 173.24 174.22 2kh2 s VAL 85 N 2.70 4.76 -0.18 3.43 -7.23 -0.63 -4.97 120.40 118.28 2kh2 s VAL 85 Ca 0.35 0.67 -0.28 0.00 -1.81 0.00 0.00 61.98 60.91 2kh2 s VAL 85 Cb -0.04 -3.84 -0.05 0.00 0.56 0.00 0.00 36.38 33.00 2kh2 s VAL 85 CO -0.08 -0.95 2.13 -0.62 -0.31 0.00 0.00 175.10 175.26 2kh2 s ASP 86 N -3.95 5.68 0.59 4.85 3.68 -1.26 -4.82 116.67 121.44 2kh2 s ASP 86 Ca 0.53 1.98 0.35 0.00 2.13 0.00 0.00 52.55 57.54 2kh2 s ASP 86 Cb -0.11 -2.52 1.80 0.00 -1.45 0.00 0.00 42.92 40.65 2kh2 s ASP 86 CO 0.47 -1.76 2.17 1.55 0.13 0.00 0.00 175.17 177.72 2kh2 h PRO 87 N 14.00 0.00 0.00 4.34 0.13 -1.91 -2.09 132.00 146.47 2kh2 h PRO 87 Ca -0.42 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.68 2kh2 h PRO 87 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2kh2 h PRO 87 CO 0.96 0.04 -0.45 1.57 -0.23 0.00 0.00 178.00 179.90 2kh2 h LYS 88 N 0.00 0.00 -0.24 0.86 2.10 -2.00 -3.30 116.57 113.99 2kh2 h LYS 88 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kh2 h LYS 88 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2kh2 h LYS 88 CO 0.01 0.13 0.00 0.09 -2.00 0.00 0.00 179.45 177.68 2kh2 n ASN 89 N -3.02 2.60 -4.15 7.07 3.02 -0.98 -4.98 115.26 114.83 2kh2 n ASN 89 Ca 0.02 -1.90 -0.20 0.00 -0.03 0.00 0.00 54.58 52.47 2kh2 n ASN 89 Cb 0.60 -0.16 -0.13 0.00 -0.61 0.00 0.00 39.78 39.48 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 -0.96 1.25 0.65 3.10 1.51 -0.83 -4.44 117.35 117.63 2kh2 s TYR 90 Ca 0.18 -0.36 -0.09 0.00 -1.01 0.00 0.00 57.07 55.80 2kh2 s TYR 90 Cb 0.10 -0.74 0.14 0.00 -0.11 0.00 0.00 41.96 41.35 2kh2 s TYR 90 CO 0.13 0.04 0.88 -0.35 -1.11 0.00 0.00 175.55 175.14 2kh2 n PRO 91 N 1.89 -0.65 -3.90 -1.71 -0.04 -1.26 -4.78 135.00 124.56 2kh2 n PRO 91 Ca -0.18 -1.59 -0.09 0.00 -0.04 0.00 0.00 63.50 61.60 2kh2 n PRO 91 Cb 0.55 -0.84 -0.06 0.00 -0.04 0.00 0.00 33.50 33.11 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 -4.86 1.27 0.04 0.54 -2.85 -1.26 -5.07 119.74 107.55 2kh2 s LYS 92 Ca 0.52 -1.09 -0.24 0.00 -1.00 0.00 0.00 55.97 54.16 2kh2 s LYS 92 Cb -0.02 0.43 -0.17 0.00 -2.06 0.00 0.00 37.83 36.02 2kh2 s LYS 92 CO 0.36 -0.50 1.53 -0.22 0.10 0.00 0.00 175.35 176.63 2kh2 h LYS 93 N 2.41 0.03 -4.13 1.78 1.63 -1.97 -3.37 116.57 112.95 2kh2 h LYS 93 Ca -0.30 -0.01 -0.76 0.00 -0.85 0.00 0.00 60.65 58.73 2kh2 h LYS 93 Cb 1.24 -0.00 -0.24 0.00 -0.60 0.00 0.00 32.23 32.63 2kh2 h LYS 93 CO 0.43 0.24 -0.03 0.21 -3.45 0.00 0.00 179.45 176.86 2kh2 s LYS 94 N -5.33 3.22 0.75 1.90 2.47 -1.26 -2.86 119.74 118.64 2kh2 s LYS 94 Ca -0.14 -1.91 -0.02 0.00 -1.56 0.00 0.00 55.97 52.34 2kh2 s LYS 94 Cb 0.04 -4.36 0.14 0.00 -1.46 0.00 0.00 37.83 32.19 2kh2 s LYS 94 CO 0.67 -1.37 1.03 -1.64 0.16 0.00 0.00 175.35 174.21 2kh2 s MET 95 N 1.32 1.55 0.47 4.03 -1.94 -1.26 -5.07 119.30 118.40 2kh2 s MET 95 Ca 0.10 -1.05 -0.20 0.00 -1.71 0.00 0.00 55.69 52.83 2kh2 s MET 95 Cb -0.22 -2.28 -0.09 0.00 2.01 0.00 0.00 34.83 34.25 2kh2 s MET 95 CO -0.01 -1.57 1.00 -1.21 -0.01 0.00 0.00 175.02 173.22 2kh2 s GLU 96 N -5.23 3.96 0.57 2.03 8.01 -1.26 -4.94 118.70 121.84 2kh2 s GLU 96 Ca 0.67 1.24 0.29 0.00 0.01 0.00 0.00 54.97 57.18 2kh2 s GLU 96 Cb -0.05 -2.13 1.69 0.00 -4.31 0.00 0.00 34.13 29.33 2kh2 s GLU 96 CO 0.45 -0.28 2.19 -0.22 0.01 0.00 0.00 175.26 177.42 2kh2 h LYS 97 N 1.62 0.00 -0.00 1.61 3.64 -1.97 -0.11 116.57 121.36 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 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2kh2 h LYS 97 CO 0.60 0.05 -0.01 2.89 -2.27 0.00 0.00 179.45 180.70 2kh2 n ARG 98 N -3.77 0.86 -0.01 1.90 1.85 -1.26 -3.01 116.66 113.21 2kh2 n ARG 98 Ca -0.03 -0.10 0.01 0.00 -1.00 0.00 0.00 57.85 56.73 2kh2 n ARG 98 Cb 0.14 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.06 2kh2 n ARG 98 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2kh2 n PHE 99 N -0.98 0.02 -3.67 2.89 3.72 -0.08 -0.88 117.46 118.48 2kh2 n PHE 99 Ca 0.20 -0.13 -0.37 0.00 -0.05 0.00 0.00 57.45 57.10 2kh2 n PHE 99 Cb 0.18 -0.01 -0.11 0.00 -0.94 0.00 0.00 39.48 38.60 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 -0.37 5.04 0.08 -4.37 1.01 -1.07 -3.96 120.40 116.78 2kh2 s VAL 100 Ca 0.03 0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.14 2kh2 s VAL 100 Cb 0.02 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2kh2 s VAL 100 CO 0.02 0.30 -0.08 -0.36 0.00 0.00 0.00 175.10 174.99 2kh2 s PHE 101 N 1.51 2.80 -0.61 5.22 0.40 -0.26 -2.64 117.98 124.39 2kh2 s PHE 101 Ca 0.07 -0.12 -0.14 0.00 -0.60 0.00 0.00 56.93 56.13 2kh2 s PHE 101 Cb -0.15 -1.48 0.15 0.00 0.51 0.00 0.00 43.02 42.06 2kh2 s PHE 101 CO 0.07 0.42 0.56 -0.80 0.70 0.00 0.00 175.22 176.17 2kh2 s ASN 102 N -2.08 6.27 -0.65 1.36 0.02 0.25 -1.09 114.94 119.01 2kh2 s ASN 102 Ca 0.21 -2.08 -0.27 0.00 -1.02 0.00 0.00 52.86 49.70 2kh2 s ASN 102 Cb -0.11 -2.18 0.01 0.00 0.02 0.00 0.00 41.25 38.99 2kh2 s ASN 102 CO 0.13 -0.75 1.47 -0.75 0.02 0.00 0.00 177.10 177.23 2kh2 s LYS 103 N 1.13 3.07 0.22 -0.60 2.20 0.99 -1.64 119.74 125.11 2kh2 s LYS 103 Ca 0.08 0.18 -0.14 0.00 -0.36 0.00 0.00 55.97 55.73 2kh2 s LYS 103 Cb -0.24 -4.22 -0.08 0.00 -1.51 0.00 0.00 37.83 31.79 2kh2 s LYS 103 CO -0.01 -2.24 0.62 0.42 -0.36 0.00 0.00 175.35 173.78 2kh2 s ILE 104 N 6.71 4.80 -0.62 5.43 1.01 0.53 -1.51 121.20 137.54 2kh2 s ILE 104 Ca 0.48 0.81 0.06 0.00 0.00 0.00 0.00 60.65 62.01 2kh2 s ILE 104 Cb -0.10 -3.69 0.24 0.00 0.01 0.00 0.00 42.46 38.92 2kh2 s ILE 104 CO 0.19 0.04 0.68 -0.62 0.00 0.00 0.00 174.94 175.23 2kh2 n GLU 105 N 0.23 2.17 0.11 2.79 1.02 -0.94 -1.88 120.64 124.14 2kh2 n GLU 105 Ca -0.01 -4.45 -0.04 0.00 -0.02 0.00 0.00 57.16 52.64 2kh2 n GLU 105 Cb 0.52 -2.13 -0.02 0.00 -0.02 0.00 0.00 31.44 29.79 2kh2 n GLU 105 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 2kh2 h ILE 106 N 3.25 0.00 0.00 -3.67 3.07 -1.90 -3.48 117.51 114.79 2kh2 h ILE 106 Ca 0.18 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.56 2kh2 h ILE 106 Cb 0.71 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.26 2kh2 h ILE 106 CO 0.77 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.41 2kh2 n ASN 107 N -2.84 0.00 -0.00 2.16 0.23 -1.26 -4.99 115.26 108.57 2kh2 n ASN 107 Ca -0.04 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.11 2kh2 n ASN 107 Cb 0.11 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.69 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 0.93 -4.82 0.53 5.03 -1.26 -4.93 115.26 110.74 2kh2 n ASN 108 Ca 0.00 -0.93 -0.30 0.00 0.87 0.00 0.00 54.58 54.21 2kh2 n ASN 108 Cb 0.00 1.06 -0.06 0.00 -1.02 0.00 0.00 39.78 39.76 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 -3.01 3.04 -0.09 3.52 -0.14 -1.26 -4.97 119.74 116.83 2kh2 s LYS 109 Ca 0.07 -0.62 -0.01 0.00 -1.36 0.00 0.00 55.97 54.04 2kh2 s LYS 109 Cb 0.16 -2.81 -0.03 0.00 -1.68 0.00 0.00 37.83 33.46 2kh2 s LYS 109 CO 0.86 0.58 -0.03 -0.51 -0.76 0.00 0.00 175.35 175.49 2kh2 s LEU 110 N -2.46 3.39 0.06 3.17 1.43 0.35 -3.93 118.68 120.70 2kh2 s LEU 110 Ca 0.31 0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.53 2kh2 s LEU 110 Cb -0.12 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 2kh2 s LEU 110 CO 0.24 0.34 -0.18 -1.61 0.23 0.00 0.00 176.35 175.37 2kh2 s GLU 111 N -0.63 2.00 -0.46 1.70 2.02 -0.78 -0.24 118.70 122.30 2kh2 s GLU 111 Ca 0.10 -1.03 -0.02 0.00 0.02 0.00 0.00 54.97 54.04 2kh2 s GLU 111 Cb -0.12 -2.17 0.12 0.00 0.10 0.00 0.00 34.13 32.06 2kh2 s GLU 111 CO 0.02 0.52 0.25 -0.06 0.02 0.00 0.00 175.26 176.02 2kh2 s PHE 112 N -0.99 3.54 0.00 1.61 0.08 -1.26 -0.35 117.98 120.62 2kh2 s PHE 112 Ca 0.16 -2.56 -0.16 0.00 0.12 0.00 0.00 56.93 54.49 2kh2 s PHE 112 Cb -0.11 -3.19 -0.06 0.00 -0.57 0.00 0.00 43.02 39.10 2kh2 s PHE 112 CO 0.07 -0.93 0.46 -2.00 -0.10 0.00 0.00 175.22 172.71 2kh2 s GLU 113 N 0.79 4.05 0.10 0.44 2.12 -0.65 -1.64 118.70 123.91 2kh2 s GLU 113 Ca 0.11 0.50 -0.30 0.00 0.36 0.00 0.00 54.97 55.64 2kh2 s GLU 113 Cb -0.22 -3.25 -0.06 0.00 0.26 0.00 0.00 34.13 30.86 2kh2 s GLU 113 CO -0.04 0.61 1.04 0.45 -0.54 0.00 0.00 175.26 176.78 2kh2 s SER 114 N -0.86 7.34 0.22 -1.70 0.15 0.07 0.87 113.70 119.79 2kh2 s SER 114 Ca 0.25 1.89 0.05 0.00 0.70 0.00 0.00 55.95 58.84 2kh2 s SER 114 Cb -0.17 -2.59 0.19 0.00 -1.71 0.00 0.00 66.02 61.74 2kh2 s SER 114 CO 0.14 -0.21 1.52 0.00 1.20 0.00 0.00 173.24 175.89 2kh2 h ALA 115 N 5.84 0.78 -0.44 5.45 0.00 -1.76 -3.09 119.26 126.05 2kh2 h ALA 115 Ca -0.43 -0.59 -0.14 0.00 0.00 0.00 0.00 54.91 53.75 2kh2 h ALA 115 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2kh2 h ALA 115 CO 0.74 0.79 -0.29 0.37 0.00 0.00 0.00 179.25 180.86 2kh2 h GLN 116 N 0.14 0.96 -4.26 0.00 5.75 -1.78 -3.40 115.11 112.53 2kh2 h GLN 116 Ca -0.02 -0.45 -0.63 0.00 -0.15 0.00 0.00 58.65 57.41 2kh2 h GLN 116 Cb 1.21 -0.01 -0.40 0.00 1.07 0.00 0.00 27.48 29.35 2kh2 h GLN 116 CO 0.10 1.11 -0.74 -0.06 -2.65 0.00 0.00 178.83 176.60 2kh2 s PHE 117 N -4.55 2.95 0.27 3.99 0.08 -1.17 -5.10 117.98 114.45 2kh2 s PHE 117 Ca -0.11 -2.49 -0.30 0.00 0.12 0.00 0.00 56.93 54.15 2kh2 s PHE 117 Cb 0.12 -2.43 -0.11 0.00 -0.57 0.00 0.00 43.02 40.03 2kh2 s PHE 117 CO 0.87 -0.92 1.59 -2.14 -0.10 0.00 0.00 175.22 174.53 2kh2 s PRO 118 N 1.18 4.14 0.00 0.24 0.02 -1.23 -2.14 135.00 137.22 2kh2 s PRO 118 Ca 0.10 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.66 2kh2 s PRO 118 Cb -0.18 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.29 2kh2 s PRO 118 CO -0.14 -0.62 0.00 -1.71 -0.33 0.00 0.00 177.00 174.19 2kh2 n ASN 119 N 2.54 -2.07 -4.32 2.53 4.05 -1.26 -4.99 115.26 111.74 2kh2 n ASN 119 Ca 0.09 0.00 -0.41 0.00 0.45 0.00 0.00 54.58 54.71 2kh2 n ASN 119 Cb 0.37 -0.69 -0.10 0.00 1.23 0.00 0.00 39.78 40.60 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 2kh2 s TRP 120 N -2.54 3.29 0.18 1.20 0.52 -0.91 -4.52 118.94 116.17 2kh2 s TRP 120 Ca 0.00 -1.26 0.05 0.00 0.02 0.00 0.00 56.10 54.91 2kh2 s TRP 120 Cb 0.00 -2.91 -0.04 0.00 -1.15 0.00 0.00 33.47 29.38 2kh2 s TRP 120 CO 0.00 -0.80 0.20 0.71 0.02 0.00 0.00 176.95 177.09 2kh2 s TYR 121 N 1.51 3.25 -0.06 -1.98 1.51 -0.39 -0.75 117.35 120.44 2kh2 s TYR 121 Ca 0.03 0.00 -0.30 0.00 -1.01 0.00 0.00 57.07 55.80 2kh2 s TYR 121 Cb -0.23 -1.54 -0.05 0.00 -0.11 0.00 0.00 41.96 40.04 2kh2 s TYR 121 CO 0.04 0.51 1.56 0.42 -1.11 0.00 0.00 175.55 176.98 2kh2 s ILE 122 N -1.83 3.70 0.19 2.71 1.01 -0.65 -0.35 121.20 125.98 2kh2 s ILE 122 Ca 0.32 0.88 0.07 0.00 0.00 0.00 0.00 60.65 61.93 2kh2 s ILE 122 Cb -0.10 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 2kh2 s ILE 122 CO 0.25 -0.07 -0.15 -0.44 0.00 0.00 0.00 174.94 174.54 2kh2 s SER 123 N 2.93 2.48 0.04 3.58 0.01 0.33 -4.49 113.70 118.57 2kh2 s SER 123 Ca 0.69 -0.97 0.01 0.00 1.31 0.00 0.00 55.95 56.99 2kh2 s SER 123 Cb -0.31 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 65.77 2kh2 s SER 123 CO 0.27 -0.15 -0.05 0.42 0.41 0.00 0.00 173.24 174.13 2kh2 s THR 124 N -2.75 0.31 0.70 1.44 -4.23 -0.89 -2.14 115.64 108.08 2kh2 s THR 124 Ca 0.19 -1.13 -0.04 0.00 -1.18 0.00 0.00 61.69 59.54 2kh2 s THR 124 Cb -0.02 -0.61 0.09 0.00 1.34 0.00 0.00 72.50 73.31 2kh2 s THR 124 CO 0.06 -0.54 0.98 -0.44 -0.54 0.00 0.00 174.62 174.14 2kh2 s SER 125 N -1.76 4.58 0.16 3.99 0.01 -1.26 -0.07 113.70 119.35 2kh2 s SER 125 Ca -0.10 0.02 -0.03 0.00 1.31 0.00 0.00 55.95 57.16 2kh2 s SER 125 Cb -0.07 -0.57 0.01 0.00 0.21 0.00 0.00 66.02 65.61 2kh2 s SER 125 CO -0.02 -1.70 1.40 1.56 0.41 0.00 0.00 173.24 174.89 2kh2 h GLN 126 N -0.52 0.44 -6.99 12.44 1.08 -1.96 -3.46 115.11 116.14 2kh2 h GLN 126 Ca -0.41 -0.37 -0.56 0.00 -1.45 0.00 0.00 58.65 55.86 2kh2 h GLN 126 Cb 1.28 0.08 0.15 0.00 -0.05 0.00 0.00 27.48 28.95 2kh2 h GLN 126 CO 0.49 1.02 0.42 0.00 -0.95 0.00 0.00 178.83 179.80 2kh2 n ALA 127 N -2.52 0.97 -1.79 3.87 0.00 -1.26 -4.97 120.51 114.80 2kh2 n ALA 127 Ca -0.05 0.05 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2kh2 n ALA 127 Cb 0.73 -2.26 -0.05 0.00 0.00 0.00 0.00 19.45 17.86 2kh2 n ALA 127 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kh2 s GLU 128 N -2.99 4.22 -0.93 0.00 2.56 -1.26 -3.80 118.70 116.50 2kh2 s GLU 128 Ca 0.77 1.34 -0.02 0.00 0.00 0.00 0.00 54.97 57.06 2kh2 s GLU 128 Cb -0.41 -2.44 0.00 0.00 2.00 0.00 0.00 34.13 33.29 2kh2 s GLU 128 CO 0.46 -0.06 0.29 -1.71 -0.56 0.00 0.00 175.26 173.68 2kh2 n ASN 129 N -0.21 -4.16 -4.76 -1.70 5.15 -1.11 -5.01 115.26 103.45 2kh2 n ASN 129 Ca 0.05 -0.14 -0.37 0.00 -0.60 0.00 0.00 54.58 53.52 2kh2 n ASN 129 Cb 0.51 -3.10 -0.07 0.00 -0.53 0.00 0.00 39.78 36.60 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 -5.10 4.13 1.09 1.20 -1.94 -1.12 -4.81 119.30 112.75 2kh2 s MET 130 Ca 0.15 0.22 -0.15 0.00 -1.71 0.00 0.00 55.69 54.19 2kh2 s MET 130 Cb -0.06 -3.36 0.23 0.00 2.01 0.00 0.00 34.83 33.65 2kh2 s MET 130 CO 0.18 0.37 1.10 -2.14 -0.01 0.00 0.00 175.02 174.52 2kh2 s PRO 131 N 0.03 -0.32 -0.07 2.03 0.02 -1.26 -0.00 135.00 135.42 2kh2 s PRO 131 Ca 0.20 0.25 -0.17 0.00 0.02 0.00 0.00 61.00 61.30 2kh2 s PRO 131 Cb -0.14 -1.67 -0.05 0.00 0.02 0.00 0.00 34.50 32.66 2kh2 s PRO 131 CO 0.07 -3.18 0.45 0.08 -0.33 0.00 0.00 177.00 174.09 2kh2 s VAL 132 N -2.99 5.12 0.23 3.83 1.01 -1.00 -4.66 120.40 121.94 2kh2 s VAL 132 Ca 0.68 0.91 -0.01 0.00 0.00 0.00 0.00 61.98 63.55 2kh2 s VAL 132 Cb -0.15 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2kh2 s VAL 132 CO 0.57 0.42 0.22 0.72 0.00 0.00 0.00 175.10 177.02 2kh2 s PHE 133 N 0.00 1.14 -0.26 5.22 -0.71 -0.91 -4.85 117.98 117.62 2kh2 s PHE 133 Ca 0.25 -1.33 -0.15 0.00 -1.04 0.00 0.00 56.93 54.65 2kh2 s PHE 133 Cb -0.16 -0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 41.16 2kh2 s PHE 133 CO 0.11 -0.75 0.39 -1.17 -1.34 0.00 0.00 175.22 172.47 2kh2 s LEU 134 N -3.18 4.06 -0.15 -1.99 2.96 -1.26 -0.52 118.68 118.61 2kh2 s LEU 134 Ca 0.37 0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 54.58 2kh2 s LEU 134 Cb 0.05 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 2kh2 s LEU 134 CO 0.14 -0.17 0.02 -0.83 -1.32 0.00 0.00 176.35 174.20 2kh2 s GLY 135 N 1.50 1.85 0.00 7.98 0.00 0.53 -4.87 107.32 114.31 2kh2 s GLY 135 Ca 0.16 -0.77 0.23 0.00 0.00 0.00 0.00 44.72 44.34 2kh2 s GLY 135 CO 0.09 -0.15 1.21 0.61 0.00 0.00 0.00 173.10 174.86 2kh2 n GLY 136 N 3.12 0.77 3.13 0.20 0.00 -1.26 -1.26 105.19 109.89 2kh2 n GLY 136 Ca -0.17 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.06 4.06 -0.39 2.61 2.01 -1.26 -4.87 115.64 115.74 2kh2 s THR 137 Ca 0.26 -2.96 -0.29 0.00 0.31 0.00 0.00 61.69 59.00 2kh2 s THR 137 Cb 0.19 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 69.11 2kh2 s THR 137 CO 0.35 -0.92 1.22 -0.75 -0.69 0.00 0.00 174.62 173.83 2kh2 s LYS 138 N -0.14 3.81 0.00 4.92 2.20 -1.26 -3.07 119.74 126.20 2kh2 s LYS 138 Ca 0.18 0.92 0.00 0.00 -0.36 0.00 0.00 55.97 56.71 2kh2 s LYS 138 Cb -0.18 -3.89 0.00 0.00 -1.51 0.00 0.00 37.83 32.25 2kh2 s LYS 138 CO -0.05 -1.25 0.00 0.41 -0.36 0.00 0.00 175.35 174.10 2kh2 n GLY 139 N 4.56 1.24 0.00 5.54 0.00 -1.26 -5.10 105.19 110.17 2kh2 n GLY 139 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2kh2 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 140 N -1.44 1.49 0.07 -0.02 0.00 -1.18 -4.99 105.19 99.12 2kh2 n GLY 140 Ca 0.00 -1.39 -0.08 0.00 0.00 0.00 0.00 46.02 44.55 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 0.01 -7.43 1.61 7.50 -1.99 -3.47 115.11 111.35 2kh2 h GLN 141 Ca 0.00 -0.02 -0.47 0.00 0.50 0.00 0.00 58.65 58.66 2kh2 h GLN 141 Cb 0.00 0.01 0.13 0.00 0.05 0.00 0.00 27.48 27.67 2kh2 h GLN 141 CO 0.00 0.78 0.28 -0.51 -1.50 0.00 0.00 178.83 177.88 2kh2 s ASP 142 N -6.45 3.56 -0.22 1.46 1.01 -1.26 -4.55 116.67 110.22 2kh2 s ASP 142 Ca -0.02 1.14 -0.07 0.00 0.71 0.00 0.00 52.55 54.31 2kh2 s ASP 142 Cb 0.09 -1.79 -0.03 0.00 1.01 0.00 0.00 42.92 42.20 2kh2 s ASP 142 CO 0.82 -2.54 0.05 -0.63 0.21 0.00 0.00 175.17 173.09 2kh2 s ILE 143 N -3.15 4.39 -0.27 0.77 1.01 0.90 -4.74 121.20 120.11 2kh2 s ILE 143 Ca 0.63 -0.16 0.08 0.00 0.00 0.00 0.00 60.65 61.21 2kh2 s ILE 143 Cb -0.16 -3.01 -0.10 0.00 0.01 0.00 0.00 42.46 39.20 2kh2 s ILE 143 CO 0.55 0.39 0.29 0.35 0.00 0.00 0.00 174.94 176.52 2kh2 n THR 144 N 4.35 0.00 -3.77 2.92 -2.24 -1.26 -2.10 114.28 112.19 2kh2 n THR 144 Ca -0.16 -0.27 -0.36 0.00 -2.27 0.00 0.00 64.05 60.98 2kh2 n THR 144 Cb 0.52 0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 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 -2.11 6.50 0.24 3.42 -4.77 -1.26 -4.22 116.67 114.46 2kh2 s ASP 145 Ca 0.01 0.58 0.01 0.00 -3.30 0.00 0.00 52.55 49.85 2kh2 s ASP 145 Cb 0.06 -2.10 -0.04 0.00 -1.09 0.00 0.00 42.92 39.74 2kh2 s ASP 145 CO 0.33 0.32 0.15 -0.36 0.70 0.00 0.00 175.17 176.32 2kh2 s PHE 146 N -1.17 1.33 -0.00 2.11 0.08 0.67 -3.78 117.98 117.22 2kh2 s PHE 146 Ca 0.22 -1.40 0.05 0.00 0.12 0.00 0.00 56.93 55.92 2kh2 s PHE 146 Cb -0.13 -0.65 -0.01 0.00 -0.57 0.00 0.00 43.02 41.66 2kh2 s PHE 146 CO 0.11 -0.63 -0.15 -0.08 -0.10 0.00 0.00 175.22 174.38 2kh2 s THR 147 N -3.96 1.15 -0.25 0.64 -1.32 -0.06 -0.50 115.64 111.34 2kh2 s THR 147 Ca 0.39 -0.69 -0.14 0.00 -1.21 0.00 0.00 61.69 60.04 2kh2 s THR 147 Cb 0.06 -0.97 -0.04 0.00 -1.51 0.00 0.00 72.50 70.04 2kh2 s THR 147 CO 0.15 0.27 0.32 -0.32 -2.21 0.00 0.00 174.62 172.83 2kh2 s MET 148 N -0.49 4.06 -0.43 7.08 1.75 -1.26 -2.65 119.30 127.36 2kh2 s MET 148 Ca 0.05 -0.02 -0.04 0.00 -1.25 0.00 0.00 55.69 54.44 2kh2 s MET 148 Cb -0.06 -3.61 0.11 0.00 2.84 0.00 0.00 34.83 34.12 2kh2 s MET 148 CO -0.00 -0.15 0.23 -0.65 -0.65 0.00 0.00 175.02 173.80 2kh2 s GLN 149 N 1.68 2.08 0.23 4.11 1.11 -0.33 -4.95 119.66 123.59 2kh2 s GLN 149 Ca 0.14 -1.85 -0.32 0.00 0.01 0.00 0.00 55.36 53.34 2kh2 s GLN 149 Cb -0.15 -3.63 -0.13 0.00 -1.01 0.00 0.00 33.01 28.09 2kh2 s GLN 149 CO 0.09 -1.09 1.59 1.19 0.01 0.00 0.00 175.29 177.08 2kh2 n PHE 150 N 4.58 2.55 -4.52 0.91 3.72 -1.26 -0.97 117.46 122.46 2kh2 n PHE 150 Ca -0.02 0.23 -0.27 0.00 -0.05 0.00 0.00 57.45 57.34 2kh2 n PHE 150 Cb 0.41 -2.58 -0.10 0.00 -0.94 0.00 0.00 39.48 36.27 2kh2 n PHE 150 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2kh2 s VAL 151 N 0.55 2.16 -0.87 -4.37 -7.23 -1.22 -4.90 120.40 104.51 2kh2 s VAL 151 Ca 0.72 -2.02 -0.15 0.00 -1.81 0.00 0.00 61.98 58.71 2kh2 s VAL 151 Cb -0.57 -2.88 0.19 0.00 0.56 0.00 0.00 36.38 33.67 2kh2 s VAL 151 CO 0.41 -0.07 0.91 -0.44 -0.31 0.00 0.00 175.10 175.59 2kh2 s SER 152 N -3.70 6.74 0.00 4.85 0.01 -1.26 -4.79 113.70 115.54 2kh2 s SER 152 Ca 0.35 -2.51 0.00 0.00 1.31 0.00 0.00 55.95 55.10 2kh2 s SER 152 Cb 0.06 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 64.02 2kh2 s SER 152 CO 0.18 -0.73 0.00 -0.24 0.41 0.00 0.00 173.24 172.86