#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 0.29 0.36 0.00 0.11 -2.01 -3.36 132.00 127.38 2kh2 h PRO 2 Ca 0.00 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 2kh2 h PRO 2 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 2kh2 h PRO 2 CO 0.00 0.41 -0.17 -0.39 -0.21 0.00 0.00 178.00 177.64 2kh2 h VAL 3 N 0.11 0.00 0.00 3.15 -1.51 -1.94 -3.49 116.25 112.56 2kh2 h VAL 3 Ca 0.06 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 2kh2 h VAL 3 Cb 0.25 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.41 2kh2 h VAL 3 CO -0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 177.57 174.23 2kh2 n ARG 4 N -3.42 0.00 0.00 5.19 1.85 -1.26 -3.43 116.66 115.59 2kh2 n ARG 4 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 2kh2 n ARG 4 Cb 0.19 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.60 2kh2 n ARG 4 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2kh2 n SER 5 N 0.00 0.00 0.00 2.89 7.64 -1.26 -4.54 113.62 118.35 2kh2 n SER 5 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2kh2 n SER 5 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2kh2 n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kh2 n LEU 6 N 0.00 0.00 -4.71 -3.43 -0.00 -1.26 -4.42 117.00 103.18 2kh2 n LEU 6 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.59 2kh2 n LEU 6 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 2kh2 n LEU 6 CO 0.00 0.00 0.65 0.54 -0.00 0.00 0.00 177.39 178.58 2kh2 s ASN 7 N 0.00 7.34 0.09 1.45 4.22 -1.26 -1.57 114.94 125.22 2kh2 s ASN 7 Ca 0.00 1.62 -0.26 0.00 -2.14 0.00 0.00 52.86 52.09 2kh2 s ASN 7 Cb 0.00 -2.56 0.08 0.00 1.28 0.00 0.00 41.25 40.05 2kh2 s ASN 7 CO 0.00 -0.24 0.80 0.00 -2.04 0.00 0.00 177.10 175.62 2kh2 s THR 9 N -3.40 3.15 -0.08 0.00 2.01 0.02 -0.54 115.64 116.80 2kh2 s THR 9 Ca 0.06 -1.94 0.05 0.00 0.31 0.00 0.00 61.69 60.16 2kh2 s THR 9 Cb -0.01 -2.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 2kh2 s THR 9 CO -0.07 -0.29 -0.23 -0.76 -0.69 0.00 0.00 174.62 172.57 2kh2 s LEU 10 N -3.36 2.15 0.00 4.42 1.43 -1.26 -2.83 118.68 119.23 2kh2 s LEU 10 Ca 0.29 -0.50 -0.09 0.00 -1.03 0.00 0.00 54.13 52.80 2kh2 s LEU 10 Cb -0.07 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.75 2kh2 s LEU 10 CO 0.17 0.21 0.17 -0.60 0.23 0.00 0.00 176.35 176.53 2kh2 s ARG 11 N 0.02 0.53 0.62 1.70 3.52 -1.17 -3.14 118.95 121.02 2kh2 s ARG 11 Ca -0.09 -0.40 -0.01 0.00 -0.13 0.00 0.00 55.73 55.10 2kh2 s ARG 11 Cb -0.15 0.22 0.12 0.00 -1.56 0.00 0.00 34.95 33.59 2kh2 s ARG 11 CO 0.05 -0.13 0.84 -0.40 -0.81 0.00 0.00 175.30 174.85 2kh2 n ASP 12 N 1.34 1.01 0.00 -2.12 5.68 -0.53 0.55 116.55 122.49 2kh2 n ASP 12 Ca -0.22 -1.88 0.13 0.00 -0.50 0.00 0.00 54.79 52.32 2kh2 n ASP 12 Cb 0.56 -0.56 0.71 0.00 -1.14 0.00 0.00 41.12 40.69 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2kh2 n SER 13 N -2.99 0.00 -1.22 -1.12 3.41 -1.22 -2.74 113.62 107.73 2kh2 n SER 13 Ca 0.14 -0.35 0.12 0.00 -0.26 0.00 0.00 58.87 58.51 2kh2 n SER 13 Cb 0.48 -0.19 0.25 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.19 2.58 -2.01 4.33 1.13 -1.26 -4.93 117.38 116.02 2kh2 n GLN 14 Ca 0.15 -2.41 -0.06 0.00 -1.94 0.00 0.00 57.00 52.74 2kh2 n GLN 14 Cb 0.17 -1.53 -0.01 0.00 0.11 0.00 0.00 30.24 28.98 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 1.55 -0.51 -3.96 -1.09 1.13 -1.11 -5.01 117.38 108.39 2kh2 n GLN 15 Ca 0.21 0.36 -0.35 0.00 -1.94 0.00 0.00 57.00 55.28 2kh2 n GLN 15 Cb 0.62 -4.21 -0.09 0.00 0.11 0.00 0.00 30.24 26.67 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 -4.11 3.87 0.13 -1.09 1.02 -1.26 -4.24 119.74 114.06 2kh2 s LYS 16 Ca 0.00 -0.29 0.03 0.00 0.02 0.00 0.00 55.97 55.73 2kh2 s LYS 16 Cb 0.00 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 2kh2 s LYS 16 CO 0.00 0.38 0.18 -1.12 -0.92 0.00 0.00 175.35 173.87 2kh2 s SER 17 N 0.07 5.86 0.03 2.83 0.01 0.11 -1.46 113.70 121.15 2kh2 s SER 17 Ca 0.07 0.03 -0.23 0.00 1.31 0.00 0.00 55.95 57.12 2kh2 s SER 17 Cb -0.12 -1.65 -0.06 0.00 0.21 0.00 0.00 66.02 64.41 2kh2 s SER 17 CO 0.00 0.09 0.69 -0.76 0.41 0.00 0.00 173.24 173.68 2kh2 s LEU 18 N -2.94 4.45 0.18 2.44 1.43 -1.19 -1.57 118.68 121.47 2kh2 s LEU 18 Ca 0.32 1.34 0.04 0.00 -1.03 0.00 0.00 54.13 54.80 2kh2 s LEU 18 Cb -0.11 -3.10 -0.05 0.00 0.03 0.00 0.00 46.19 42.96 2kh2 s LEU 18 CO 0.25 0.07 -0.06 0.68 0.23 0.00 0.00 176.35 177.52 2kh2 s VAL 19 N -0.20 1.10 -0.48 -1.59 -7.23 0.51 -2.53 120.40 109.98 2kh2 s VAL 19 Ca 0.35 -2.05 -0.28 0.00 -1.81 0.00 0.00 61.98 58.19 2kh2 s VAL 19 Cb -0.20 -2.04 -0.00 0.00 0.56 0.00 0.00 36.38 34.70 2kh2 s VAL 19 CO 0.21 -0.59 1.62 -0.04 -0.31 0.00 0.00 175.10 175.99 2kh2 s MET 20 N -3.79 3.21 0.03 4.82 -1.94 -1.26 -1.54 119.30 118.82 2kh2 s MET 20 Ca 0.21 0.84 0.02 0.00 -1.71 0.00 0.00 55.69 55.05 2kh2 s MET 20 Cb 0.04 -4.19 -0.25 0.00 2.01 0.00 0.00 34.83 32.44 2kh2 s MET 20 CO 0.04 -2.03 0.97 1.03 -0.01 0.00 0.00 175.02 175.01 2kh2 h SER 21 N 12.37 0.22 -2.06 3.03 0.87 -1.29 -3.47 113.55 123.22 2kh2 h SER 21 Ca -0.29 -0.30 0.06 0.00 -1.23 0.00 0.00 61.79 60.04 2kh2 h SER 21 Cb 1.13 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 2kh2 h SER 21 CO 1.13 1.25 0.33 0.61 -0.53 0.00 0.00 176.83 179.62 2kh2 n GLY 22 N 1.55 0.99 0.26 5.77 0.00 -0.35 -4.92 105.19 108.48 2kh2 n GLY 22 Ca -0.11 -1.11 0.09 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 -0.12 1.61 0.13 -2.03 -3.04 132.00 128.55 2kh2 h PRO 23 Ca -0.20 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.76 2kh2 h PRO 23 Cb 0.82 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.66 2kh2 h PRO 23 CO 0.26 0.04 -0.90 0.66 -0.23 0.00 0.00 178.00 177.84 2kh2 n TYR 24 N -4.36 0.39 -3.77 1.56 4.01 -1.26 -4.98 117.16 108.75 2kh2 n TYR 24 Ca -0.03 -1.13 -0.13 0.00 -0.16 0.00 0.00 57.90 56.45 2kh2 n TYR 24 Cb 0.12 -0.20 -0.10 0.00 -0.31 0.00 0.00 39.34 38.85 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 -1.67 0.43 -0.01 -0.72 2.12 -1.15 -3.99 118.70 113.70 2kh2 s GLU 25 Ca 0.35 0.27 0.04 0.00 0.36 0.00 0.00 54.97 56.00 2kh2 s GLU 25 Cb 0.38 0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.96 2kh2 s GLU 25 CO -0.11 -0.07 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.88 2kh2 s LEU 26 N -0.19 2.01 0.40 2.70 1.43 -1.26 -0.82 118.68 122.95 2kh2 s LEU 26 Ca -0.03 -0.27 0.07 0.00 -1.03 0.00 0.00 54.13 52.87 2kh2 s LEU 26 Cb -0.03 -0.76 -0.08 0.00 0.03 0.00 0.00 46.19 45.35 2kh2 s LEU 26 CO 0.01 0.17 0.01 -0.54 0.23 0.00 0.00 176.35 176.23 2kh2 s LYS 27 N -0.29 1.96 -0.07 1.70 1.02 -0.59 -1.23 119.74 122.25 2kh2 s LYS 27 Ca 0.05 -2.08 0.04 0.00 0.02 0.00 0.00 55.97 54.00 2kh2 s LYS 27 Cb -0.06 -1.67 0.00 0.00 -0.52 0.00 0.00 37.83 35.58 2kh2 s LYS 27 CO -0.00 -0.03 -0.19 0.00 -0.92 0.00 0.00 175.35 174.20 2kh2 s ALA 28 N -2.69 1.73 0.27 5.17 0.00 0.90 -0.36 121.76 126.78 2kh2 s ALA 28 Ca 0.35 -0.75 -0.12 0.00 0.00 0.00 0.00 51.96 51.44 2kh2 s ALA 28 Cb 0.09 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.58 2kh2 s ALA 28 CO 0.18 0.26 0.50 -0.48 0.00 0.00 0.00 175.76 176.23 2kh2 s LEU 29 N 0.24 0.36 -0.56 0.00 2.34 -0.61 -2.46 118.68 118.00 2kh2 s LEU 29 Ca -0.11 -1.00 -0.27 0.00 0.06 0.00 0.00 54.13 52.82 2kh2 s LEU 29 Cb -0.15 1.82 0.03 0.00 -0.56 0.00 0.00 46.19 47.34 2kh2 s LEU 29 CO 0.05 -1.19 1.09 -1.00 -1.06 0.00 0.00 176.35 174.23 2kh2 s HIS 30 N -3.81 2.69 0.16 3.48 3.76 -1.26 0.07 115.29 120.38 2kh2 s HIS 30 Ca 0.23 0.25 -0.17 0.00 -0.15 0.00 0.00 55.06 55.22 2kh2 s HIS 30 Cb -0.01 -4.33 -0.07 0.00 1.11 0.00 0.00 32.58 29.28 2kh2 s HIS 30 CO 0.10 -1.48 0.62 -0.51 -0.85 0.00 0.00 174.74 172.63 2kh2 s LEU 31 N 4.52 4.37 -0.31 0.89 1.02 -1.26 -4.98 118.68 122.93 2kh2 s LEU 31 Ca 0.38 1.24 -0.11 0.00 0.02 0.00 0.00 54.13 55.65 2kh2 s LEU 31 Cb -0.09 -3.32 0.19 0.00 0.02 0.00 0.00 46.19 42.98 2kh2 s LEU 31 CO 0.23 0.11 1.08 -1.58 0.02 0.00 0.00 176.35 176.21 2kh2 s GLN 32 N -1.81 0.12 0.00 1.70 0.74 -1.26 -4.99 119.66 114.15 2kh2 s GLN 32 Ca 0.38 0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.80 2kh2 s GLN 32 Cb -0.16 0.03 0.00 0.00 1.10 0.00 0.00 33.01 33.97 2kh2 s GLN 32 CO 0.20 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.16 2kh2 n GLY 33 N 4.21 0.18 0.00 2.59 0.00 -1.26 -4.63 105.19 106.28 2kh2 n GLY 33 Ca 0.07 -1.52 0.10 0.00 0.00 0.00 0.00 46.02 44.67 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 0.57 -0.04 1.61 -0.06 -1.26 -2.17 117.38 116.03 2kh2 n GLN 34 Ca 0.00 0.02 0.11 0.00 -2.00 0.00 0.00 57.00 55.13 2kh2 n GLN 34 Cb 0.00 -1.50 0.48 0.00 -4.06 0.00 0.00 30.24 25.16 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 -1.07 1.01 0.00 1.69 10.43 -1.26 -3.87 116.55 123.48 2kh2 n ASP 35 Ca 0.14 -1.55 0.07 0.00 2.57 0.00 0.00 54.79 56.02 2kh2 n ASP 35 Cb 0.09 -0.05 0.40 0.00 1.84 0.00 0.00 41.12 43.40 2kh2 n ASP 35 CO 0.00 0.00 0.00 0.80 -1.07 0.00 0.00 177.20 176.93 2kh2 n MET 36 N -0.13 0.69 0.00 -1.24 1.56 -0.92 -1.89 117.12 115.18 2kh2 n MET 36 Ca 0.16 0.00 0.08 0.00 -0.27 0.00 0.00 57.70 57.67 2kh2 n MET 36 Cb 0.23 -1.31 -0.01 0.00 2.15 0.00 0.00 33.22 34.29 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 -0.81 1.71 -0.46 2.12 -0.58 -1.25 -4.32 120.64 117.06 2kh2 n GLU 37 Ca 0.10 -0.74 0.07 0.00 -0.42 0.00 0.00 57.16 56.18 2kh2 n GLU 37 Cb 0.05 -1.26 0.28 0.00 -0.57 0.00 0.00 31.44 29.93 2kh2 n GLU 37 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2kh2 n GLN 38 N -0.23 3.02 -3.44 3.49 6.02 -0.79 -4.88 117.38 120.58 2kh2 n GLN 38 Ca 0.06 -2.20 -0.38 0.00 -0.01 0.00 0.00 57.00 54.47 2kh2 n GLN 38 Cb 0.33 -1.72 -0.09 0.00 1.02 0.00 0.00 30.24 29.78 2kh2 n GLN 38 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2kh2 s GLN 39 N -1.71 4.08 0.45 -1.09 -2.07 -1.26 -4.43 119.66 113.63 2kh2 s GLN 39 Ca 0.39 0.04 -0.22 0.00 -1.82 0.00 0.00 55.36 53.75 2kh2 s GLN 39 Cb 0.25 -3.59 -0.08 0.00 -1.09 0.00 0.00 33.01 28.49 2kh2 s GLN 39 CO 0.20 -0.14 1.10 0.08 -1.32 0.00 0.00 175.29 175.21 2kh2 s VAL 40 N 1.63 3.44 -0.18 3.63 1.01 -1.05 -5.03 120.40 123.84 2kh2 s VAL 40 Ca 0.15 1.03 -0.03 0.00 0.00 0.00 0.00 61.98 63.13 2kh2 s VAL 40 Cb -0.15 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 2kh2 s VAL 40 CO 0.08 -0.06 -0.05 -0.69 0.00 0.00 0.00 175.10 174.38 2kh2 s VAL 41 N -1.69 3.49 -0.18 2.92 1.01 -1.26 -4.43 120.40 120.27 2kh2 s VAL 41 Ca 0.63 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 2kh2 s VAL 41 Cb -0.24 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2kh2 s VAL 41 CO 0.29 0.46 0.07 -0.36 0.00 0.00 0.00 175.10 175.56 2kh2 s PHE 42 N 0.93 3.28 0.45 5.22 0.08 0.30 -1.25 117.98 126.99 2kh2 s PHE 42 Ca -0.01 0.12 -0.18 0.00 0.12 0.00 0.00 56.93 56.98 2kh2 s PHE 42 Cb -0.15 -2.08 -0.09 0.00 -0.57 0.00 0.00 43.02 40.13 2kh2 s PHE 42 CO 0.01 0.19 0.93 -1.12 -0.10 0.00 0.00 175.22 175.13 2kh2 s SER 43 N 0.30 6.78 -0.45 1.36 0.01 0.12 -2.87 113.70 118.95 2kh2 s SER 43 Ca 0.04 1.57 0.02 0.00 1.31 0.00 0.00 55.95 58.89 2kh2 s SER 43 Cb -0.12 -2.50 0.13 0.00 0.21 0.00 0.00 66.02 63.74 2kh2 s SER 43 CO -0.00 -0.43 0.24 -0.04 0.41 0.00 0.00 173.24 173.42 2kh2 s MET 44 N -3.52 1.38 -0.20 12.44 -1.94 -0.61 -2.51 119.30 124.34 2kh2 s MET 44 Ca 0.59 -2.07 -0.23 0.00 -1.71 0.00 0.00 55.69 52.27 2kh2 s MET 44 Cb -0.10 -2.48 -0.01 0.00 2.01 0.00 0.00 34.83 34.25 2kh2 s MET 44 CO 0.21 -1.15 0.76 -1.12 -0.01 0.00 0.00 175.02 173.72 2kh2 s SER 45 N 0.30 6.82 -0.52 3.03 0.01 -1.03 -4.40 113.70 117.91 2kh2 s SER 45 Ca 0.17 1.01 -0.26 0.00 1.31 0.00 0.00 55.95 58.18 2kh2 s SER 45 Cb -0.25 -2.41 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 2kh2 s SER 45 CO -0.00 -0.40 2.18 -0.36 0.41 0.00 0.00 173.24 175.08 2kh2 s PHE 46 N 2.31 1.31 0.19 2.43 0.08 -1.22 -2.05 117.98 121.03 2kh2 s PHE 46 Ca 0.34 1.22 0.01 0.00 0.12 0.00 0.00 56.93 58.61 2kh2 s PHE 46 Cb -0.16 -3.80 0.04 0.00 -0.57 0.00 0.00 43.02 38.53 2kh2 s PHE 46 CO 0.10 -2.51 0.26 1.33 -0.10 0.00 0.00 175.22 174.29 2kh2 n VAL 47 N 7.68 0.00 -3.93 -0.44 0.24 -1.21 -4.71 118.33 115.97 2kh2 n VAL 47 Ca 0.30 -0.45 -0.29 0.00 -2.04 0.00 0.00 64.34 61.86 2kh2 n VAL 47 Cb 0.53 -1.14 -0.04 0.00 -1.47 0.00 0.00 33.84 31.72 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 -3.01 3.43 0.00 7.34 2.00 -0.95 -4.86 119.66 123.63 2kh2 s GLN 48 Ca 0.18 -0.51 0.00 0.00 -2.00 0.00 0.00 55.36 53.03 2kh2 s GLN 48 Cb -0.01 -3.01 0.00 0.00 0.80 0.00 0.00 33.01 30.79 2kh2 s GLN 48 CO 0.12 0.57 0.00 0.41 -0.50 0.00 0.00 175.29 175.89 2kh2 n GLY 49 N -0.05 -0.21 3.56 2.59 0.00 -1.26 -4.91 105.19 104.91 2kh2 n GLY 49 Ca -0.06 -1.34 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.00 2.84 -0.21 1.61 2.56 -1.26 -4.96 118.70 117.28 2kh2 s GLU 50 Ca 0.00 0.59 -0.07 0.00 0.00 0.00 0.00 54.97 55.48 2kh2 s GLU 50 Cb 0.00 -4.31 -0.03 0.00 2.00 0.00 0.00 34.13 31.78 2kh2 s GLU 50 CO 0.00 -2.48 0.06 -2.00 -0.56 0.00 0.00 175.26 170.28 2kh2 s GLU 51 N 6.57 3.81 0.00 4.30 2.12 -1.26 -4.29 118.70 129.95 2kh2 s GLU 51 Ca 0.63 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.55 2kh2 s GLU 51 Cb -0.13 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.02 2kh2 s GLU 51 CO 0.22 0.06 0.00 -1.13 -0.54 0.00 0.00 175.26 173.87 2kh2 n SER 52 N 4.17 0.68 -0.05 -1.70 3.41 -0.28 -5.03 113.62 114.83 2kh2 n SER 52 Ca -0.16 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.53 2kh2 n SER 52 Cb 0.52 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.96 0.00 4.04 2.85 -1.26 -4.50 115.26 117.35 2kh2 n ASN 53 Ca 0.00 -0.98 0.00 0.00 -0.11 0.00 0.00 54.58 53.49 2kh2 n ASN 53 Cb 0.00 0.94 0.00 0.00 1.24 0.00 0.00 39.78 41.96 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2kh2 n ASP 54 N -1.27 4.04 -4.16 1.20 5.75 -1.26 -5.01 116.55 115.84 2kh2 n ASP 54 Ca 0.04 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.49 2kh2 n ASP 54 Cb 0.29 0.70 -0.16 0.00 -1.03 0.00 0.00 41.12 40.93 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 -1.66 3.06 -0.11 0.11 2.20 -1.26 -1.76 119.74 120.31 2kh2 s LYS 55 Ca 0.00 -0.80 0.01 0.00 -0.36 0.00 0.00 55.97 54.82 2kh2 s LYS 55 Cb 0.00 -2.67 0.02 0.00 -1.51 0.00 0.00 37.83 33.67 2kh2 s LYS 55 CO 0.00 -0.21 -0.11 0.42 -0.36 0.00 0.00 175.35 175.08 2kh2 s ILE 56 N 1.33 1.24 0.02 5.43 -1.09 -0.20 -1.12 121.20 126.79 2kh2 s ILE 56 Ca 0.05 -0.45 -0.30 0.00 -2.23 0.00 0.00 60.65 57.71 2kh2 s ILE 56 Cb -0.13 -1.19 -0.06 0.00 -1.58 0.00 0.00 42.46 39.50 2kh2 s ILE 56 CO -0.11 0.40 1.41 -2.16 -1.23 0.00 0.00 174.94 173.25 2kh2 s PRO 57 N 1.34 4.28 0.02 2.79 0.04 -1.26 -0.83 135.00 141.39 2kh2 s PRO 57 Ca -0.01 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2kh2 s PRO 57 Cb -0.14 -3.54 -0.02 0.00 0.04 0.00 0.00 34.50 30.84 2kh2 s PRO 57 CO -0.05 -0.57 -0.03 0.14 0.04 0.00 0.00 177.00 176.52 2kh2 s VAL 58 N 2.28 0.16 -0.39 -0.36 -7.23 0.05 -3.30 120.40 111.61 2kh2 s VAL 58 Ca 0.64 -0.98 -0.14 0.00 -1.81 0.00 0.00 61.98 59.70 2kh2 s VAL 58 Cb -0.32 -0.36 0.01 0.00 0.56 0.00 0.00 36.38 36.26 2kh2 s VAL 58 CO 0.27 -0.51 0.27 0.00 -0.31 0.00 0.00 175.10 174.82 2kh2 s ALA 59 N -1.58 3.46 -0.51 1.32 0.00 -0.87 -1.36 121.76 122.22 2kh2 s ALA 59 Ca -0.14 -1.62 -0.20 0.00 0.00 0.00 0.00 51.96 50.00 2kh2 s ALA 59 Cb -0.09 -2.79 0.06 0.00 0.00 0.00 0.00 23.12 20.30 2kh2 s ALA 59 CO -0.01 -1.31 0.67 -0.51 0.00 0.00 0.00 175.76 174.60 2kh2 s LEU 60 N 1.68 4.83 0.52 0.00 1.02 -1.26 -2.46 118.68 123.01 2kh2 s LEU 60 Ca 0.05 -0.82 0.02 0.00 0.02 0.00 0.00 54.13 53.39 2kh2 s LEU 60 Cb -0.19 -2.51 -0.00 0.00 0.02 0.00 0.00 46.19 43.51 2kh2 s LEU 60 CO 0.10 -0.94 0.06 -0.83 0.02 0.00 0.00 176.35 174.75 2kh2 s GLY 61 N 2.71 2.96 0.07 -3.19 0.00 -1.04 -1.88 107.32 106.94 2kh2 s GLY 61 Ca 0.17 -0.42 -0.14 0.00 0.00 0.00 0.00 44.72 44.33 2kh2 s GLY 61 CO 0.13 -2.17 0.47 1.08 0.00 0.00 0.00 173.10 172.61 2kh2 s LEU 62 N -3.94 4.41 -0.02 0.66 1.02 0.02 0.12 118.68 120.95 2kh2 s LEU 62 Ca 0.09 0.98 -0.32 0.00 0.02 0.00 0.00 54.13 54.90 2kh2 s LEU 62 Cb 0.01 -2.93 -0.10 0.00 0.02 0.00 0.00 46.19 43.18 2kh2 s LEU 62 CO 0.05 0.21 1.93 1.17 0.02 0.00 0.00 176.35 179.74 2kh2 n LYS 63 N 1.25 2.57 -3.27 1.70 4.81 -0.38 -2.46 118.16 122.38 2kh2 n LYS 63 Ca -0.09 0.94 -0.22 0.00 -0.87 0.00 0.00 58.31 58.07 2kh2 n LYS 63 Cb 0.52 -2.85 -0.00 0.00 0.02 0.00 0.00 35.03 32.72 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 7.12 -3.32 -3.88 1.64 0.28 -1.26 -4.96 120.64 116.26 2kh2 n GLU 64 Ca 0.21 0.49 -0.12 0.00 -0.16 0.00 0.00 57.16 57.58 2kh2 n GLU 64 Cb 0.36 -5.19 -0.13 0.00 1.43 0.00 0.00 31.44 27.91 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 -5.91 0.07 -1.47 3.44 1.02 -1.03 -5.06 119.74 110.81 2kh2 s LYS 65 Ca 0.36 -0.08 -0.12 0.00 0.02 0.00 0.00 55.97 56.15 2kh2 s LYS 65 Cb -0.19 0.03 0.03 0.00 -0.52 0.00 0.00 37.83 37.18 2kh2 s LYS 65 CO 0.44 -0.01 2.38 0.27 -0.92 0.00 0.00 175.35 177.51 2kh2 n ASN 66 N 2.81 5.68 -3.78 2.83 6.94 -1.26 -4.26 115.26 124.23 2kh2 n ASN 66 Ca -0.14 -2.83 -0.14 0.00 -0.02 0.00 0.00 54.58 51.44 2kh2 n ASN 66 Cb 0.59 -1.58 -0.15 0.00 -2.36 0.00 0.00 39.78 36.28 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 0.96 1.09 0.09 -4.53 1.43 -1.26 -3.17 118.68 113.28 2kh2 s LEU 67 Ca 0.52 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.77 2kh2 s LEU 67 Cb 0.15 0.08 -0.04 0.00 0.03 0.00 0.00 46.19 46.41 2kh2 s LEU 67 CO -0.07 -0.12 -0.08 -0.31 0.23 0.00 0.00 176.35 176.00 2kh2 s TYR 68 N 0.95 0.94 -0.47 0.29 1.51 -1.01 -0.80 117.35 118.76 2kh2 s TYR 68 Ca -0.08 -0.72 -0.29 0.00 -1.01 0.00 0.00 57.07 54.98 2kh2 s TYR 68 Cb -0.11 -0.53 0.02 0.00 -0.11 0.00 0.00 41.96 41.23 2kh2 s TYR 68 CO -0.03 -0.06 1.29 -0.51 -1.11 0.00 0.00 175.55 175.13 2kh2 s LEU 69 N -2.52 3.57 -0.15 -1.29 1.43 -0.79 -1.94 118.68 116.99 2kh2 s LEU 69 Ca 0.05 0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 53.68 2kh2 s LEU 69 Cb -0.01 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 2kh2 s LEU 69 CO -0.02 -1.40 0.01 -0.55 0.23 0.00 0.00 176.35 174.62 2kh2 s SER 70 N 3.37 5.21 -0.26 2.29 0.15 0.68 -4.30 113.70 120.82 2kh2 s SER 70 Ca 0.54 0.02 -0.05 0.00 0.70 0.00 0.00 55.95 57.16 2kh2 s SER 70 Cb -0.10 -1.77 0.01 0.00 -1.71 0.00 0.00 66.02 62.45 2kh2 s SER 70 CO 0.31 0.23 0.02 0.00 1.20 0.00 0.00 173.24 174.99 2kh2 s VAL 72 N 1.45 0.31 -0.42 0.00 -7.23 -0.50 -4.69 120.40 109.31 2kh2 s VAL 72 Ca 0.03 -1.90 -0.23 0.00 -1.81 0.00 0.00 61.98 58.07 2kh2 s VAL 72 Cb -0.16 -1.88 0.02 0.00 0.56 0.00 0.00 36.38 34.92 2kh2 s VAL 72 CO -0.01 -0.65 0.77 -0.76 -0.31 0.00 0.00 175.10 174.14 2kh2 s LEU 73 N -3.04 4.23 -0.36 1.32 1.43 -1.26 0.31 118.68 121.31 2kh2 s LEU 73 Ca 0.18 0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.21 2kh2 s LEU 73 Cb 0.07 -2.96 0.03 0.00 0.03 0.00 0.00 46.19 43.37 2kh2 s LEU 73 CO -0.02 -0.84 0.17 -0.54 0.23 0.00 0.00 176.35 175.35 2kh2 s LYS 74 N 3.18 2.73 -1.04 1.70 1.02 0.10 -4.59 119.74 122.84 2kh2 s LYS 74 Ca 0.30 -1.14 -0.07 0.00 0.02 0.00 0.00 55.97 55.07 2kh2 s LYS 74 Cb -0.13 -3.63 -0.06 0.00 -0.52 0.00 0.00 37.83 33.50 2kh2 s LYS 74 CO 0.21 -0.70 0.89 -3.47 -0.92 0.00 0.00 175.35 171.36 2kh2 n ASP 75 N 4.92 -6.56 -2.86 2.83 -0.08 -1.26 -2.84 116.55 110.70 2kh2 n ASP 75 Ca -0.12 -0.71 -0.20 0.00 -1.51 0.00 0.00 54.79 52.25 2kh2 n ASP 75 Cb 0.45 -4.99 0.01 0.00 2.34 0.00 0.00 41.12 38.93 2kh2 n ASP 75 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kh2 n ASP 76 N -3.07 -4.88 -3.68 1.67 9.92 -1.26 -4.97 116.55 110.27 2kh2 n ASP 76 Ca -0.07 -0.14 -0.11 0.00 -0.53 0.00 0.00 54.79 53.94 2kh2 n ASP 76 Cb 0.61 -4.03 -0.11 0.00 -0.64 0.00 0.00 41.12 36.95 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 -5.50 0.30 0.01 -1.24 2.47 -1.13 -5.12 119.74 109.53 2kh2 s LYS 77 Ca 0.20 0.83 -0.30 0.00 -1.56 0.00 0.00 55.97 55.14 2kh2 s LYS 77 Cb -0.10 0.08 -0.08 0.00 -1.46 0.00 0.00 37.83 36.27 2kh2 s LYS 77 CO 0.25 -0.21 1.97 -2.14 0.16 0.00 0.00 175.35 175.37 2kh2 s PRO 78 N 1.95 4.05 0.12 4.03 0.02 -1.26 0.02 135.00 143.93 2kh2 s PRO 78 Ca -0.05 2.53 0.05 0.00 0.02 0.00 0.00 61.00 63.55 2kh2 s PRO 78 Cb -0.10 -4.17 -0.04 0.00 0.02 0.00 0.00 34.50 30.21 2kh2 s PRO 78 CO -0.11 -1.05 -0.13 0.99 -0.33 0.00 0.00 177.00 176.36 2kh2 s THR 79 N 4.78 1.21 -0.17 0.99 2.01 0.15 -4.64 115.64 119.98 2kh2 s THR 79 Ca 0.88 -1.70 -0.09 0.00 0.31 0.00 0.00 61.69 61.09 2kh2 s THR 79 Cb -0.41 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 2kh2 s THR 79 CO 0.40 -0.47 0.14 -0.22 -0.69 0.00 0.00 174.62 173.78 2kh2 s LEU 80 N -2.47 4.29 0.08 4.42 2.96 -1.26 -1.41 118.68 125.28 2kh2 s LEU 80 Ca 0.08 0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 54.27 2kh2 s LEU 80 Cb -0.04 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 2kh2 s LEU 80 CO 0.02 0.27 0.11 0.00 -1.32 0.00 0.00 176.35 175.44 2kh2 s GLN 81 N -0.22 0.79 -0.18 1.98 -2.07 0.75 -4.95 119.66 115.77 2kh2 s GLN 81 Ca 0.11 -1.10 -0.15 0.00 -1.82 0.00 0.00 55.36 52.40 2kh2 s GLN 81 Cb -0.11 0.29 -0.04 0.00 -1.09 0.00 0.00 33.01 32.05 2kh2 s GLN 81 CO 0.01 -0.22 0.34 -0.51 -1.32 0.00 0.00 175.29 173.59 2kh2 s LEU 82 N -2.90 4.21 -0.12 2.60 2.01 -1.26 -0.23 118.68 122.99 2kh2 s LEU 82 Ca 0.08 0.52 0.03 0.00 0.01 0.00 0.00 54.13 54.77 2kh2 s LEU 82 Cb 0.06 -2.44 -0.00 0.00 0.01 0.00 0.00 46.19 43.82 2kh2 s LEU 82 CO -0.09 0.02 -0.21 -0.70 1.01 0.00 0.00 176.35 176.38 2kh2 s GLU 83 N 0.84 3.11 -0.16 1.70 2.12 -0.82 -4.90 118.70 120.58 2kh2 s GLU 83 Ca 0.18 -0.83 -0.27 0.00 0.36 0.00 0.00 54.97 54.41 2kh2 s GLU 83 Cb -0.14 -2.41 -0.01 0.00 0.26 0.00 0.00 34.13 31.83 2kh2 s GLU 83 CO 0.06 0.12 0.91 -1.12 -0.54 0.00 0.00 175.26 174.69 2kh2 s SER 84 N 0.50 7.06 0.46 -1.70 0.01 -1.26 -2.41 113.70 116.35 2kh2 s SER 84 Ca -0.14 1.30 0.06 0.00 1.31 0.00 0.00 55.95 58.48 2kh2 s SER 84 Cb -0.17 -2.49 -0.03 0.00 0.21 0.00 0.00 66.02 63.54 2kh2 s SER 84 CO 0.05 -0.45 0.16 0.68 0.41 0.00 0.00 173.24 174.09 2kh2 s VAL 85 N 2.25 1.89 -0.19 3.43 -7.23 -1.19 -5.03 120.40 114.33 2kh2 s VAL 85 Ca 0.42 -1.77 -0.29 0.00 -1.81 0.00 0.00 61.98 58.53 2kh2 s VAL 85 Cb -0.17 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.08 2kh2 s VAL 85 CO 0.13 0.00 1.68 -0.62 -0.31 0.00 0.00 175.10 175.98 2kh2 s ASP 86 N -3.94 6.35 0.12 4.85 3.68 -1.26 -4.88 116.67 121.60 2kh2 s ASP 86 Ca 0.31 1.75 0.13 0.00 2.13 0.00 0.00 52.55 56.87 2kh2 s ASP 86 Cb 0.03 -2.53 0.61 0.00 -1.45 0.00 0.00 42.92 39.58 2kh2 s ASP 86 CO 0.17 -1.26 1.40 -0.81 0.13 0.00 0.00 175.17 174.80 2kh2 n PRO 87 N 7.67 0.07 -0.00 4.34 -0.04 -1.26 -1.42 135.00 144.35 2kh2 n PRO 87 Ca 0.19 0.46 0.08 0.00 -0.04 0.00 0.00 63.50 64.19 2kh2 n PRO 87 Cb 0.45 -1.68 -0.10 0.00 -0.04 0.00 0.00 33.50 32.13 2kh2 n PRO 87 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2kh2 n LYS 88 N -1.82 1.37 -0.03 0.54 2.85 -1.26 -4.46 118.16 115.36 2kh2 n LYS 88 Ca 0.01 -0.05 0.06 0.00 -1.05 0.00 0.00 58.31 57.28 2kh2 n LYS 88 Cb 0.09 -1.29 -0.16 0.00 -0.65 0.00 0.00 35.03 33.02 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 -1.61 0.32 -4.63 -5.58 3.02 -0.77 -4.97 115.26 101.04 2kh2 n ASN 89 Ca 0.01 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.29 2kh2 n ASN 89 Cb 0.31 1.73 -0.08 0.00 -0.61 0.00 0.00 39.78 41.12 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 -3.22 2.79 0.63 3.10 1.51 -0.51 -4.40 117.35 117.25 2kh2 s TYR 90 Ca -0.08 -0.16 -0.06 0.00 -1.01 0.00 0.00 57.07 55.76 2kh2 s TYR 90 Cb 0.12 -1.36 0.02 0.00 -0.11 0.00 0.00 41.96 40.63 2kh2 s TYR 90 CO 0.84 0.51 0.94 -1.25 -1.11 0.00 0.00 175.55 175.48 2kh2 s PRO 91 N -2.85 2.71 0.11 -1.71 0.04 -1.26 -4.77 135.00 127.28 2kh2 s PRO 91 Ca 0.26 -0.05 0.01 0.00 0.04 0.00 0.00 61.00 61.26 2kh2 s PRO 91 Cb -0.09 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 2kh2 s PRO 91 CO 0.17 -0.87 -0.03 -1.59 0.04 0.00 0.00 177.00 174.73 2kh2 s LYS 92 N -5.08 0.88 0.02 4.56 -2.85 -1.26 -5.02 119.74 110.99 2kh2 s LYS 92 Ca 0.56 -1.38 -0.20 0.00 -1.00 0.00 0.00 55.97 53.94 2kh2 s LYS 92 Cb -0.11 -0.10 -0.18 0.00 -2.06 0.00 0.00 37.83 35.38 2kh2 s LYS 92 CO 0.45 -0.09 1.23 -0.22 0.10 0.00 0.00 175.35 176.82 2kh2 h LYS 93 N 2.91 0.38 -3.87 1.78 3.64 -1.95 -3.35 116.57 116.11 2kh2 h LYS 93 Ca -0.35 -0.28 -0.77 0.00 -1.27 0.00 0.00 60.65 57.98 2kh2 h LYS 93 Cb 1.18 0.05 -0.20 0.00 -0.41 0.00 0.00 32.23 32.84 2kh2 h LYS 93 CO 0.64 0.91 1.32 1.17 -2.27 0.00 0.00 179.45 181.21 2kh2 n LYS 94 N -4.41 3.66 -2.88 1.90 3.00 -1.26 -2.23 118.16 115.93 2kh2 n LYS 94 Ca -0.08 -3.97 -0.35 0.00 -0.00 0.00 0.00 58.31 53.91 2kh2 n LYS 94 Cb 0.49 -2.84 -0.06 0.00 0.00 0.00 0.00 35.03 32.62 2kh2 n LYS 94 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2kh2 s MET 95 N 0.01 4.38 0.44 1.64 -1.94 -1.26 -5.00 119.30 117.57 2kh2 s MET 95 Ca 0.38 1.13 -0.21 0.00 -1.71 0.00 0.00 55.69 55.28 2kh2 s MET 95 Cb 0.01 -2.63 -0.13 0.00 2.01 0.00 0.00 34.83 34.09 2kh2 s MET 95 CO 0.01 0.22 0.41 0.39 -0.01 0.00 0.00 175.02 176.03 2kh2 n GLU 96 N 0.22 0.41 0.22 2.03 4.71 -1.26 -4.80 120.64 122.17 2kh2 n GLU 96 Ca 0.03 0.15 0.10 0.00 -0.01 0.00 0.00 57.16 57.43 2kh2 n GLU 96 Cb 0.51 -1.39 0.66 0.00 -1.01 0.00 0.00 31.44 30.21 2kh2 n GLU 96 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 2kh2 h LYS 97 N 0.60 0.00 0.00 3.49 1.63 -1.94 0.02 116.57 120.37 2kh2 h LYS 97 Ca -0.40 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 2kh2 h LYS 97 Cb 1.41 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.04 2kh2 h LYS 97 CO 0.50 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 179.39 2kh2 n ARG 98 N -4.49 0.45 -0.05 1.90 1.85 -1.26 -2.90 116.66 112.16 2kh2 n ARG 98 Ca -0.01 0.05 0.02 0.00 -1.00 0.00 0.00 57.85 56.90 2kh2 n ARG 98 Cb 0.17 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.13 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 -1.21 0.12 -4.03 2.89 3.72 -0.01 -0.54 117.46 118.40 2kh2 n PHE 99 Ca 0.13 -0.42 -0.31 0.00 -0.05 0.00 0.00 57.45 56.81 2kh2 n PHE 99 Cb 0.16 -0.04 -0.16 0.00 -0.94 0.00 0.00 39.48 38.50 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 -0.89 1.65 0.26 -4.37 1.01 -1.14 -4.26 120.40 112.66 2kh2 s VAL 100 Ca 0.07 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.43 2kh2 s VAL 100 Cb 0.04 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 2kh2 s VAL 100 CO 0.05 0.47 0.25 -0.36 0.00 0.00 0.00 175.10 175.51 2kh2 s PHE 101 N 1.46 3.18 -0.43 5.22 0.08 -0.46 -2.99 117.98 124.03 2kh2 s PHE 101 Ca 0.05 -0.10 -0.15 0.00 0.12 0.00 0.00 56.93 56.85 2kh2 s PHE 101 Cb -0.13 -1.49 0.04 0.00 -0.57 0.00 0.00 43.02 40.88 2kh2 s PHE 101 CO -0.11 0.46 0.33 -0.80 -0.10 0.00 0.00 175.22 175.01 2kh2 s ASN 102 N -3.90 6.10 -0.43 1.36 0.02 0.26 -0.77 114.94 117.58 2kh2 s ASN 102 Ca 0.34 -1.10 -0.29 0.00 -1.02 0.00 0.00 52.86 50.79 2kh2 s ASN 102 Cb -0.08 -2.16 0.03 0.00 0.02 0.00 0.00 41.25 39.06 2kh2 s ASN 102 CO 0.26 -0.53 1.13 -0.75 0.02 0.00 0.00 177.10 177.23 2kh2 s LYS 103 N 1.65 3.82 -0.04 -0.60 2.20 -0.01 -1.74 119.74 125.02 2kh2 s LYS 103 Ca 0.04 0.74 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 2kh2 s LYS 103 Cb -0.21 -3.86 -0.03 0.00 -1.51 0.00 0.00 37.83 32.21 2kh2 s LYS 103 CO 0.08 -1.24 -0.01 0.42 -0.36 0.00 0.00 175.35 174.24 2kh2 s ILE 104 N 4.24 4.16 -0.10 5.43 1.01 0.86 -1.04 121.20 135.77 2kh2 s ILE 104 Ca 0.48 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.70 2kh2 s ILE 104 Cb -0.09 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.58 2kh2 s ILE 104 CO 0.27 0.48 -0.22 -1.61 0.00 0.00 0.00 174.94 173.85 2kh2 s GLU 105 N -1.24 2.89 0.00 2.79 2.02 -0.72 0.13 118.70 124.56 2kh2 s GLU 105 Ca 0.17 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.33 2kh2 s GLU 105 Cb -0.11 -2.21 0.00 0.00 0.10 0.00 0.00 34.13 31.90 2kh2 s GLU 105 CO 0.07 0.14 0.00 0.44 0.02 0.00 0.00 175.26 175.93 2kh2 n ILE 106 N 3.62 0.00 0.87 -1.63 -5.35 -0.61 -4.93 119.36 111.33 2kh2 n ILE 106 Ca -0.19 0.00 0.09 0.00 -0.27 0.00 0.00 62.75 62.37 2kh2 n ILE 106 Cb 0.53 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.34 2kh2 n ILE 106 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2kh2 n ASN 107 N 0.00 1.04 0.00 7.28 6.94 -1.26 -4.78 115.26 124.48 2kh2 n ASN 107 Ca 0.00 -1.02 0.00 0.00 -0.02 0.00 0.00 54.58 53.54 2kh2 n ASN 107 Cb 0.00 0.91 0.00 0.00 -2.36 0.00 0.00 39.78 38.33 2kh2 n ASN 107 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2kh2 n ASN 108 N -1.19 0.00 -4.09 0.53 2.85 -1.26 -5.16 115.26 106.94 2kh2 n ASN 108 Ca 0.04 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.41 2kh2 n ASN 108 Cb 0.31 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.22 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 0.00 0.61 0.02 1.20 -0.14 -1.26 -4.98 119.74 115.19 2kh2 s LYS 109 Ca 0.00 -1.01 0.06 0.00 -1.36 0.00 0.00 55.97 53.66 2kh2 s LYS 109 Cb 0.00 -0.10 -0.03 0.00 -1.68 0.00 0.00 37.83 36.02 2kh2 s LYS 109 CO 0.00 -0.02 -0.17 -0.51 -0.76 0.00 0.00 175.35 173.89 2kh2 s LEU 110 N -2.30 2.64 0.11 3.17 1.02 -0.24 -1.57 118.68 121.51 2kh2 s LEU 110 Ca -0.00 -0.36 0.08 0.00 0.02 0.00 0.00 54.13 53.86 2kh2 s LEU 110 Cb -0.01 -1.54 -0.04 0.00 0.02 0.00 0.00 46.19 44.62 2kh2 s LEU 110 CO -0.04 0.28 -0.19 -1.61 0.02 0.00 0.00 176.35 174.82 2kh2 s GLU 111 N -1.25 1.09 -0.26 1.70 2.02 0.12 0.55 118.70 122.67 2kh2 s GLU 111 Ca 0.14 -1.18 0.02 0.00 0.02 0.00 0.00 54.97 53.96 2kh2 s GLU 111 Cb -0.11 -1.25 0.07 0.00 0.10 0.00 0.00 34.13 32.95 2kh2 s GLU 111 CO 0.04 0.28 -0.04 -0.06 0.02 0.00 0.00 175.26 175.50 2kh2 s PHE 112 N -1.43 2.72 0.12 1.61 0.08 -1.26 -0.10 117.98 119.72 2kh2 s PHE 112 Ca 0.07 -2.05 0.03 0.00 0.12 0.00 0.00 56.93 55.09 2kh2 s PHE 112 Cb -0.09 -1.86 -0.04 0.00 -0.57 0.00 0.00 43.02 40.47 2kh2 s PHE 112 CO 0.04 -0.83 0.19 -2.00 -0.10 0.00 0.00 175.22 172.52 2kh2 s GLU 113 N 1.28 3.20 0.21 0.44 2.12 -0.71 -0.85 118.70 124.39 2kh2 s GLU 113 Ca -0.03 -0.64 -0.26 0.00 0.36 0.00 0.00 54.97 54.39 2kh2 s GLU 113 Cb -0.19 -2.86 -0.08 0.00 0.26 0.00 0.00 34.13 31.25 2kh2 s GLU 113 CO -0.08 0.54 0.84 0.45 -0.54 0.00 0.00 175.26 176.47 2kh2 s SER 114 N -2.87 7.45 0.13 -1.70 0.15 0.49 0.91 113.70 118.26 2kh2 s SER 114 Ca 0.33 1.74 -0.06 0.00 0.70 0.00 0.00 55.95 58.66 2kh2 s SER 114 Cb -0.11 -2.54 -0.09 0.00 -1.71 0.00 0.00 66.02 61.57 2kh2 s SER 114 CO 0.26 0.16 1.32 0.00 1.20 0.00 0.00 173.24 176.17 2kh2 h ALA 115 N 4.11 0.37 0.11 5.45 0.00 -1.76 -3.27 119.26 124.27 2kh2 h ALA 115 Ca -0.46 -0.67 -0.27 0.00 0.00 0.00 0.00 54.91 53.51 2kh2 h ALA 115 Cb 1.20 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2kh2 h ALA 115 CO 0.66 0.77 -1.22 0.37 0.00 0.00 0.00 179.25 179.83 2kh2 h GLN 116 N 0.30 0.22 -3.99 0.00 5.75 -1.83 -3.41 115.11 112.17 2kh2 h GLN 116 Ca -0.07 -0.38 -0.68 0.00 -0.15 0.00 0.00 58.65 57.36 2kh2 h GLN 116 Cb 1.52 0.14 -0.36 0.00 1.07 0.00 0.00 27.48 29.85 2kh2 h GLN 116 CO 0.16 1.18 -0.50 -0.06 -2.65 0.00 0.00 178.83 176.96 2kh2 s PHE 117 N -2.66 3.48 0.38 3.99 0.08 -1.23 -5.09 117.98 116.93 2kh2 s PHE 117 Ca -0.03 -2.70 -0.27 0.00 0.12 0.00 0.00 56.93 54.05 2kh2 s PHE 117 Cb 0.08 -3.13 -0.09 0.00 -0.57 0.00 0.00 43.02 39.30 2kh2 s PHE 117 CO 0.87 -0.88 1.28 -2.14 -0.10 0.00 0.00 175.22 174.25 2kh2 s PRO 118 N 0.42 4.10 0.00 0.24 0.02 -1.24 -2.59 135.00 135.95 2kh2 s PRO 118 Ca 0.13 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.27 2kh2 s PRO 118 Cb -0.22 -2.84 0.00 0.00 0.02 0.00 0.00 34.50 31.46 2kh2 s PRO 118 CO -0.04 -0.37 0.00 0.09 -0.33 0.00 0.00 177.00 176.35 2kh2 n ASN 119 N 0.32 -1.38 -4.39 2.53 5.03 -1.26 -4.98 115.26 111.13 2kh2 n ASN 119 Ca 0.03 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.09 2kh2 n ASN 119 Cb 0.43 -0.79 -0.12 0.00 -1.02 0.00 0.00 39.78 38.29 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 -2.75 3.17 0.22 3.10 0.52 -1.07 -4.61 118.94 117.53 2kh2 s TRP 120 Ca 0.00 -0.79 0.08 0.00 0.02 0.00 0.00 56.10 55.41 2kh2 s TRP 120 Cb 0.00 -2.32 -0.04 0.00 -1.15 0.00 0.00 33.47 29.96 2kh2 s TRP 120 CO 0.00 -0.53 0.04 0.71 0.02 0.00 0.00 176.95 177.19 2kh2 s TYR 121 N 1.56 2.85 -0.04 -1.98 1.51 -0.38 -0.38 117.35 120.49 2kh2 s TYR 121 Ca 0.03 -0.16 -0.30 0.00 -1.01 0.00 0.00 57.07 55.64 2kh2 s TYR 121 Cb -0.17 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 2kh2 s TYR 121 CO 0.05 0.55 1.29 0.42 -1.11 0.00 0.00 175.55 176.75 2kh2 s ILE 122 N -2.00 4.02 0.23 2.71 1.01 -0.03 0.41 121.20 127.55 2kh2 s ILE 122 Ca 0.30 1.37 0.03 0.00 0.00 0.00 0.00 60.65 62.34 2kh2 s ILE 122 Cb -0.08 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 2kh2 s ILE 122 CO 0.20 -0.01 0.02 -0.44 0.00 0.00 0.00 174.94 174.71 2kh2 s SER 123 N 1.68 1.60 0.01 3.58 0.01 0.76 -4.41 113.70 116.93 2kh2 s SER 123 Ca 0.59 -1.25 -0.04 0.00 1.31 0.00 0.00 55.95 56.56 2kh2 s SER 123 Cb -0.27 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 2kh2 s SER 123 CO 0.24 -0.57 0.07 -0.89 0.41 0.00 0.00 173.24 172.50 2kh2 s THR 124 N -3.53 0.08 0.79 1.44 2.01 -1.24 -1.11 115.64 114.09 2kh2 s THR 124 Ca 0.30 -0.70 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 2kh2 s THR 124 Cb 0.06 -0.34 0.07 0.00 0.01 0.00 0.00 72.50 72.30 2kh2 s THR 124 CO 0.09 -0.38 1.11 -0.44 -0.69 0.00 0.00 174.62 174.30 2kh2 s SER 125 N -1.26 4.22 0.22 3.53 0.01 -1.26 -3.33 113.70 115.82 2kh2 s SER 125 Ca -0.14 1.95 0.09 0.00 1.31 0.00 0.00 55.95 59.16 2kh2 s SER 125 Cb -0.08 -2.54 0.16 0.00 0.21 0.00 0.00 66.02 63.77 2kh2 s SER 125 CO 0.00 -2.23 1.50 1.56 0.41 0.00 0.00 173.24 174.48 2kh2 h GLN 126 N -1.12 0.01 -7.11 12.44 1.08 -1.97 -3.46 115.11 114.99 2kh2 h GLN 126 Ca -0.44 -0.01 -0.54 0.00 -1.45 0.00 0.00 58.65 56.21 2kh2 h GLN 126 Cb 1.24 0.00 0.13 0.00 -0.05 0.00 0.00 27.48 28.81 2kh2 h GLN 126 CO 0.49 0.76 0.49 0.00 -0.95 0.00 0.00 178.83 179.62 2kh2 s ALA 127 N -3.30 2.46 0.35 3.87 0.00 -1.26 -4.99 121.76 118.89 2kh2 s ALA 127 Ca -0.01 1.09 -0.25 0.00 0.00 0.00 0.00 51.96 52.80 2kh2 s ALA 127 Cb 0.12 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 2kh2 s ALA 127 CO 0.78 -1.37 0.97 -2.00 0.00 0.00 0.00 175.76 174.15 2kh2 s GLU 128 N -3.37 4.44 -0.89 0.00 2.56 -1.26 -3.86 118.70 116.31 2kh2 s GLU 128 Ca 0.80 1.36 -0.02 0.00 0.00 0.00 0.00 54.97 57.10 2kh2 s GLU 128 Cb -0.33 -2.66 0.00 0.00 2.00 0.00 0.00 34.13 33.14 2kh2 s GLU 128 CO 0.36 0.14 0.33 -1.71 -0.56 0.00 0.00 175.26 173.82 2kh2 n ASN 129 N 0.26 -4.13 -4.68 -1.70 5.15 -1.03 -5.03 115.26 104.10 2kh2 n ASN 129 Ca 0.03 -0.15 -0.32 0.00 -0.60 0.00 0.00 54.58 53.54 2kh2 n ASN 129 Cb 0.50 -3.04 -0.09 0.00 -0.53 0.00 0.00 39.78 36.63 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 -5.15 2.76 1.12 1.20 -1.94 -1.20 -4.86 119.30 111.22 2kh2 s MET 130 Ca 0.16 -0.63 -0.17 0.00 -1.71 0.00 0.00 55.69 53.34 2kh2 s MET 130 Cb -0.07 -2.65 0.25 0.00 2.01 0.00 0.00 34.83 34.36 2kh2 s MET 130 CO 0.20 0.62 1.12 -2.14 -0.01 0.00 0.00 175.02 174.81 2kh2 s PRO 131 N -1.63 -0.54 -0.13 2.03 0.02 -1.26 -0.07 135.00 133.42 2kh2 s PRO 131 Ca 0.20 0.09 -0.07 0.00 0.02 0.00 0.00 61.00 61.24 2kh2 s PRO 131 Cb -0.12 -1.66 -0.04 0.00 0.02 0.00 0.00 34.50 32.70 2kh2 s PRO 131 CO 0.11 -3.29 0.12 0.08 -0.33 0.00 0.00 177.00 173.69 2kh2 s VAL 132 N -3.06 5.32 0.25 3.83 1.01 -0.36 -4.24 120.40 123.14 2kh2 s VAL 132 Ca 0.69 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.86 2kh2 s VAL 132 Cb -0.12 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 2kh2 s VAL 132 CO 0.56 0.58 0.23 2.22 0.00 0.00 0.00 175.10 178.70 2kh2 n PHE 133 N 2.30 -0.68 -3.59 5.22 -1.74 -0.27 -4.85 117.46 113.86 2kh2 n PHE 133 Ca -0.19 -2.07 -0.37 0.00 -0.56 0.00 0.00 57.45 54.26 2kh2 n PHE 133 Cb 0.54 0.24 -0.10 0.00 1.52 0.00 0.00 39.48 41.69 2kh2 n PHE 133 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2kh2 s LEU 134 N 0.00 4.09 -0.18 5.98 2.96 -1.26 -0.17 118.68 130.10 2kh2 s LEU 134 Ca 0.29 0.13 -0.13 0.00 -0.22 0.00 0.00 54.13 54.21 2kh2 s LEU 134 Cb 0.01 -2.17 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 2kh2 s LEU 134 CO 0.21 0.00 0.24 -0.83 -1.32 0.00 0.00 176.35 174.65 2kh2 s GLY 135 N 1.29 2.15 0.10 7.98 0.00 0.16 -4.85 107.32 114.16 2kh2 s GLY 135 Ca 0.09 -0.53 0.17 0.00 0.00 0.00 0.00 44.72 44.45 2kh2 s GLY 135 CO 0.07 0.35 0.91 -1.33 0.00 0.00 0.00 173.10 173.10 2kh2 h GLY 136 N 6.71 0.00 -7.10 0.20 0.00 -1.84 -1.01 103.07 100.03 2kh2 h GLY 136 Ca -0.41 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.25 2kh2 h GLY 136 CO 0.76 0.00 -0.69 -1.59 0.00 0.00 0.00 176.54 175.02 2kh2 s THR 137 N -2.96 3.49 -0.07 4.70 2.01 -1.26 -4.72 115.64 116.83 2kh2 s THR 137 Ca -0.02 -0.67 -0.21 0.00 0.31 0.00 0.00 61.69 61.11 2kh2 s THR 137 Cb 0.09 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 2kh2 s THR 137 CO 0.80 0.25 0.59 -0.75 -0.69 0.00 0.00 174.62 174.83 2kh2 s LYS 138 N 1.46 4.37 0.00 4.92 2.20 -1.26 -3.94 119.74 127.48 2kh2 s LYS 138 Ca 0.03 0.68 0.00 0.00 -0.36 0.00 0.00 55.97 56.33 2kh2 s LYS 138 Cb -0.16 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 2kh2 s LYS 138 CO -0.01 0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.57 2kh2 n GLY 139 N 2.97 0.92 0.00 5.54 0.00 -1.26 -5.07 105.19 108.29 2kh2 n GLY 139 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.16 1.74 0.18 -0.02 0.00 -1.25 -4.97 105.19 98.70 2kh2 n GLY 140 Ca 0.00 -1.26 0.07 0.00 0.00 0.00 0.00 46.02 44.83 2kh2 n GLY 140 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kh2 h GLN 141 N 0.00 0.00 -7.40 1.61 7.50 -1.98 -3.46 115.11 111.39 2kh2 h GLN 141 Ca 0.00 0.00 -0.44 0.00 0.50 0.00 0.00 58.65 58.71 2kh2 h GLN 141 Cb 0.00 0.00 0.16 0.00 0.05 0.00 0.00 27.48 27.69 2kh2 h GLN 141 CO 0.00 0.26 0.20 -0.51 -1.50 0.00 0.00 178.83 177.28 2kh2 s ASP 142 N -6.34 2.34 -0.18 1.46 1.01 -1.26 -4.60 116.67 109.10 2kh2 s ASP 142 Ca 0.05 0.99 0.01 0.00 0.71 0.00 0.00 52.55 54.31 2kh2 s ASP 142 Cb 0.06 -1.54 0.02 0.00 1.01 0.00 0.00 42.92 42.47 2kh2 s ASP 142 CO 0.71 -3.28 -0.19 -0.63 0.21 0.00 0.00 175.17 171.99 2kh2 s ILE 143 N -3.05 2.17 -0.07 0.77 1.01 -1.21 -4.76 121.20 116.06 2kh2 s ILE 143 Ca 0.67 -0.91 0.10 0.00 0.00 0.00 0.00 60.65 60.51 2kh2 s ILE 143 Cb -0.16 -1.92 -0.15 0.00 0.01 0.00 0.00 42.46 40.24 2kh2 s ILE 143 CO 0.57 0.52 0.13 0.35 0.00 0.00 0.00 174.94 176.51 2kh2 n THR 144 N 4.63 0.43 -3.29 2.92 -2.24 -1.26 -3.58 114.28 111.89 2kh2 n THR 144 Ca -0.21 -0.38 -0.38 0.00 -2.27 0.00 0.00 64.05 60.81 2kh2 n THR 144 Cb 0.50 -0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 68.36 2kh2 n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2kh2 s ASP 145 N -3.91 6.76 0.10 3.42 -4.77 -1.26 -4.13 116.67 112.88 2kh2 s ASP 145 Ca -0.05 0.90 0.04 0.00 -3.30 0.00 0.00 52.55 50.15 2kh2 s ASP 145 Cb 0.05 -2.31 -0.04 0.00 -1.09 0.00 0.00 42.92 39.54 2kh2 s ASP 145 CO 0.46 0.03 -0.11 -0.36 0.70 0.00 0.00 175.17 175.88 2kh2 s PHE 146 N 0.41 1.14 0.04 2.11 0.40 0.19 -3.44 117.98 118.83 2kh2 s PHE 146 Ca 0.27 -0.61 -0.03 0.00 -0.60 0.00 0.00 56.93 55.96 2kh2 s PHE 146 Cb -0.16 -0.62 -0.04 0.00 0.51 0.00 0.00 43.02 42.71 2kh2 s PHE 146 CO 0.12 0.04 0.24 0.95 0.70 0.00 0.00 175.22 177.27 2kh2 s THR 147 N -2.24 5.35 -0.19 0.64 -4.23 0.19 -1.08 115.64 114.09 2kh2 s THR 147 Ca 0.05 -0.12 -0.03 0.00 -1.18 0.00 0.00 61.69 60.41 2kh2 s THR 147 Cb -0.04 -3.58 -0.01 0.00 1.34 0.00 0.00 72.50 70.20 2kh2 s THR 147 CO 0.01 0.24 -0.07 -0.32 -0.54 0.00 0.00 174.62 173.94 2kh2 s MET 148 N -2.16 3.39 -0.15 3.99 1.75 -1.26 -3.05 119.30 121.80 2kh2 s MET 148 Ca 0.32 -0.63 0.02 0.00 -1.25 0.00 0.00 55.69 54.14 2kh2 s MET 148 Cb -0.13 -2.90 0.01 0.00 2.84 0.00 0.00 34.83 34.65 2kh2 s MET 148 CO 0.22 -0.07 -0.20 -0.65 -0.65 0.00 0.00 175.02 173.67 2kh2 s GLN 149 N 1.13 3.07 -0.19 4.11 1.11 -1.13 -4.95 119.66 122.81 2kh2 s GLN 149 Ca 0.01 -0.82 -0.29 0.00 0.01 0.00 0.00 55.36 54.27 2kh2 s GLN 149 Cb -0.15 -2.51 -0.00 0.00 -1.01 0.00 0.00 33.01 29.34 2kh2 s GLN 149 CO -0.01 -0.03 1.13 -0.06 0.01 0.00 0.00 175.29 176.33 2kh2 s PHE 150 N 0.87 3.15 0.40 0.91 0.40 -1.26 -0.80 117.98 121.65 2kh2 s PHE 150 Ca -0.05 1.28 0.08 0.00 -0.60 0.00 0.00 56.93 57.64 2kh2 s PHE 150 Cb -0.15 -3.37 -0.03 0.00 0.51 0.00 0.00 43.02 39.99 2kh2 s PHE 150 CO -0.03 -0.99 0.34 0.14 0.70 0.00 0.00 175.22 175.38 2kh2 s VAL 151 N 3.21 2.78 -0.97 -0.44 -7.23 -1.22 -4.98 120.40 111.55 2kh2 s VAL 151 Ca 0.49 -1.39 -0.07 0.00 -1.81 0.00 0.00 61.98 59.20 2kh2 s VAL 151 Cb -0.18 -3.03 -0.09 0.00 0.56 0.00 0.00 36.38 33.64 2kh2 s VAL 151 CO 0.11 -0.03 3.05 -1.20 -0.31 0.00 0.00 175.10 176.71 2kh2 n SER 152 N -1.48 7.36 0.00 4.85 7.64 -1.26 -4.77 113.62 125.96 2kh2 n SER 152 Ca 0.02 -2.71 0.00 0.00 1.01 0.00 0.00 58.87 57.19 2kh2 n SER 152 Cb 0.62 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83