#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 0.66 -4.95 0.00 0.13 -2.07 -3.42 132.00 122.36 2kh2 h PRO 2 Ca 0.00 -0.18 -0.62 0.00 -0.87 0.00 0.00 66.00 64.33 2kh2 h PRO 2 Cb 0.00 -0.07 -0.34 0.00 0.13 0.00 0.00 31.00 30.72 2kh2 h PRO 2 CO 0.00 0.72 -0.85 0.54 -0.23 0.00 0.00 178.00 178.18 2kh2 s VAL 3 N -4.87 1.69 0.46 1.56 0.11 -1.26 -5.12 120.40 112.97 2kh2 s VAL 3 Ca -0.08 -0.78 -0.06 0.00 -2.93 0.00 0.00 61.98 58.13 2kh2 s VAL 3 Cb 0.15 -1.51 -0.04 0.00 -1.53 0.00 0.00 36.38 33.44 2kh2 s VAL 3 CO 0.80 0.48 0.77 -0.13 -3.33 0.00 0.00 175.10 173.68 2kh2 s ARG 4 N 0.77 3.57 0.04 1.54 0.52 -1.26 -5.05 118.95 119.07 2kh2 s ARG 4 Ca -0.10 0.20 -0.27 0.00 -0.52 0.00 0.00 55.73 55.04 2kh2 s ARG 4 Cb -0.16 -2.40 0.09 0.00 0.52 0.00 0.00 34.95 33.00 2kh2 s ARG 4 CO 0.01 -0.16 0.74 0.45 0.02 0.00 0.00 175.30 176.36 2kh2 s SER 5 N -3.97 -0.51 0.13 0.23 0.15 -1.26 -3.97 113.70 104.50 2kh2 s SER 5 Ca 0.47 0.19 -0.07 0.00 0.70 0.00 0.00 55.95 57.24 2kh2 s SER 5 Cb -0.10 0.50 -0.01 0.00 -1.71 0.00 0.00 66.02 64.69 2kh2 s SER 5 CO 0.43 -0.73 0.19 -1.48 1.20 0.00 0.00 173.24 172.85 2kh2 s LEU 6 N -2.19 1.35 -0.08 3.45 0.05 -1.24 -4.99 118.68 115.02 2kh2 s LEU 6 Ca -0.01 -0.87 0.02 0.00 0.05 0.00 0.00 54.13 53.32 2kh2 s LEU 6 Cb -0.01 0.92 -0.02 0.00 -2.05 0.00 0.00 46.19 45.03 2kh2 s LEU 6 CO -0.06 -0.80 -0.14 0.20 -0.55 0.00 0.00 176.35 175.00 2kh2 s ASN 7 N -2.95 3.98 0.19 1.48 0.01 -1.26 -0.80 114.94 115.58 2kh2 s ASN 7 Ca 0.14 -0.27 -0.09 0.00 -0.71 0.00 0.00 52.86 51.94 2kh2 s ASN 7 Cb 0.05 -1.18 -0.01 0.00 0.41 0.00 0.00 41.25 40.52 2kh2 s ASN 7 CO -0.04 0.26 0.30 0.00 -1.51 0.00 0.00 177.10 176.12 2kh2 s THR 9 N -4.00 2.95 -0.23 0.00 -4.23 -0.72 -1.15 115.64 108.27 2kh2 s THR 9 Ca 0.21 -1.03 -0.07 0.00 -1.18 0.00 0.00 61.69 59.62 2kh2 s THR 9 Cb 0.03 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.61 2kh2 s THR 9 CO 0.03 0.40 0.05 -0.76 -0.54 0.00 0.00 174.62 173.81 2kh2 s LEU 10 N -1.27 3.47 -0.02 4.79 1.43 -1.26 -2.51 118.68 123.30 2kh2 s LEU 10 Ca 0.14 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 2kh2 s LEU 10 Cb -0.11 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 2kh2 s LEU 10 CO 0.05 0.03 -0.12 -0.13 0.23 0.00 0.00 176.35 176.40 2kh2 s ARG 11 N 1.25 1.20 0.88 1.70 0.52 -1.26 -3.67 118.95 119.56 2kh2 s ARG 11 Ca 0.04 -0.43 -0.12 0.00 -0.52 0.00 0.00 55.73 54.70 2kh2 s ARG 11 Cb -0.15 -1.10 0.16 0.00 0.52 0.00 0.00 34.95 34.38 2kh2 s ARG 11 CO 0.03 0.20 1.22 0.16 0.02 0.00 0.00 175.30 176.93 2kh2 s ASP 12 N -0.02 3.64 0.00 0.23 -4.77 -0.41 -1.79 116.67 113.55 2kh2 s ASP 12 Ca -0.00 0.22 0.26 0.00 -3.30 0.00 0.00 52.55 49.73 2kh2 s ASP 12 Cb -0.08 -0.42 1.52 0.00 -1.09 0.00 0.00 42.92 42.85 2kh2 s ASP 12 CO 0.01 -2.39 1.91 -1.54 0.70 0.00 0.00 175.17 173.86 2kh2 n SER 13 N -3.48 0.00 -1.22 2.11 3.41 -1.26 -2.75 113.62 110.43 2kh2 n SER 13 Ca 0.14 -0.70 0.08 0.00 -0.26 0.00 0.00 58.87 58.13 2kh2 n SER 13 Cb 0.60 -0.05 0.29 0.00 -0.26 0.00 0.00 64.21 64.79 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 -1.05 3.35 -2.03 4.33 1.13 -1.26 -4.93 117.38 116.92 2kh2 n GLN 14 Ca 0.18 -2.68 -0.13 0.00 -1.94 0.00 0.00 57.00 52.44 2kh2 n GLN 14 Cb 0.11 -1.73 -0.02 0.00 0.11 0.00 0.00 30.24 28.71 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 0.67 -0.97 -4.00 -1.09 1.13 -1.11 -4.96 117.38 107.05 2kh2 n GLN 15 Ca 0.22 0.69 -0.31 0.00 -1.94 0.00 0.00 57.00 55.65 2kh2 n GLN 15 Cb 0.78 -4.84 -0.06 0.00 0.11 0.00 0.00 30.24 26.23 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 -4.26 3.12 0.19 -1.09 1.02 -1.26 -2.59 119.74 114.87 2kh2 s LYS 16 Ca 0.00 -0.57 0.05 0.00 0.02 0.00 0.00 55.97 55.46 2kh2 s LYS 16 Cb 0.00 -2.86 -0.05 0.00 -0.52 0.00 0.00 37.83 34.40 2kh2 s LYS 16 CO 0.00 0.59 -0.07 -1.12 -0.92 0.00 0.00 175.35 173.83 2kh2 s SER 17 N -2.37 1.96 -0.13 2.83 0.01 0.12 -1.29 113.70 114.83 2kh2 s SER 17 Ca 0.31 -1.10 -0.17 0.00 1.31 0.00 0.00 55.95 56.30 2kh2 s SER 17 Cb -0.12 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 2kh2 s SER 17 CO 0.23 -0.38 0.44 -0.76 0.41 0.00 0.00 173.24 173.19 2kh2 s LEU 18 N -3.25 4.26 0.12 2.44 1.43 -1.24 -1.02 118.68 121.42 2kh2 s LEU 18 Ca 0.22 0.74 0.08 0.00 -1.03 0.00 0.00 54.13 54.14 2kh2 s LEU 18 Cb 0.03 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 2kh2 s LEU 18 CO 0.05 0.01 -0.18 0.68 0.23 0.00 0.00 176.35 177.14 2kh2 s VAL 19 N 0.65 1.62 -0.52 -1.59 -7.23 0.48 -2.73 120.40 111.08 2kh2 s VAL 19 Ca 0.24 -1.67 -0.28 0.00 -1.81 0.00 0.00 61.98 58.46 2kh2 s VAL 19 Cb -0.15 -1.59 0.03 0.00 0.56 0.00 0.00 36.38 35.23 2kh2 s VAL 19 CO 0.09 -0.22 1.12 -0.04 -0.31 0.00 0.00 175.10 175.74 2kh2 s MET 20 N -2.31 3.58 0.00 4.82 -1.94 -1.26 -1.86 119.30 120.33 2kh2 s MET 20 Ca 0.09 0.32 0.00 0.00 -1.71 0.00 0.00 55.69 54.39 2kh2 s MET 20 Cb -0.08 -3.97 0.00 0.00 2.01 0.00 0.00 34.83 32.80 2kh2 s MET 20 CO 0.05 -1.50 0.02 0.45 -0.01 0.00 0.00 175.02 174.02 2kh2 n SER 21 N 7.99 0.00 -0.07 3.03 2.88 -0.36 -4.99 113.62 122.10 2kh2 n SER 21 Ca 0.09 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2kh2 n SER 21 Cb 0.49 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 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 2.34 1.87 0.13 0.46 0.00 -1.19 -4.96 105.19 103.84 2kh2 n GLY 22 Ca 0.00 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 43.96 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 0.25 -0.39 1.61 0.13 -2.04 -3.35 132.00 128.22 2kh2 h PRO 23 Ca 0.00 -0.29 -0.29 0.00 -0.87 0.00 0.00 66.00 64.55 2kh2 h PRO 23 Cb 0.00 0.09 -0.36 0.00 0.13 0.00 0.00 31.00 30.86 2kh2 h PRO 23 CO 0.00 1.02 -0.96 0.66 -0.23 0.00 0.00 178.00 178.49 2kh2 n TYR 24 N -3.65 1.30 -4.31 1.56 4.01 -1.26 -5.05 117.16 109.75 2kh2 n TYR 24 Ca -0.05 -1.80 -0.21 0.00 -0.16 0.00 0.00 57.90 55.69 2kh2 n TYR 24 Cb 0.84 -0.25 -0.16 0.00 -0.31 0.00 0.00 39.34 39.46 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 -3.01 1.07 -0.06 -0.72 2.12 -1.26 -4.43 118.70 112.41 2kh2 s GLU 25 Ca 0.36 -0.21 0.05 0.00 0.36 0.00 0.00 54.97 55.53 2kh2 s GLU 25 Cb 0.36 -0.98 -0.01 0.00 0.26 0.00 0.00 34.13 33.77 2kh2 s GLU 25 CO -0.05 -0.02 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.92 2kh2 s LEU 26 N 0.72 2.03 0.12 2.70 1.43 -1.26 -1.23 118.68 123.19 2kh2 s LEU 26 Ca -0.11 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 52.57 2kh2 s LEU 26 Cb -0.14 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 2kh2 s LEU 26 CO 0.01 0.20 -0.16 -0.54 0.23 0.00 0.00 176.35 176.10 2kh2 s LYS 27 N -0.00 1.07 -0.21 1.70 1.02 -0.77 -1.53 119.74 121.01 2kh2 s LYS 27 Ca -0.07 -1.23 -0.03 0.00 0.02 0.00 0.00 55.97 54.66 2kh2 s LYS 27 Cb -0.14 -1.05 -0.00 0.00 -0.52 0.00 0.00 37.83 36.11 2kh2 s LYS 27 CO 0.04 0.22 -0.07 0.00 -0.92 0.00 0.00 175.35 174.62 2kh2 s ALA 28 N -1.88 2.73 0.16 5.17 0.00 0.95 -0.38 121.76 128.50 2kh2 s ALA 28 Ca 0.09 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2kh2 s ALA 28 Cb -0.06 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 2kh2 s ALA 28 CO 0.04 -0.38 0.04 -0.48 0.00 0.00 0.00 175.76 174.98 2kh2 s LEU 29 N 1.38 1.86 -0.02 0.00 0.05 -0.19 -3.28 118.68 118.48 2kh2 s LEU 29 Ca 0.05 -1.22 -0.30 0.00 0.05 0.00 0.00 54.13 52.71 2kh2 s LEU 29 Cb -0.14 0.15 -0.06 0.00 -2.05 0.00 0.00 46.19 44.08 2kh2 s LEU 29 CO -0.04 -0.67 1.68 -1.00 -0.55 0.00 0.00 176.35 175.76 2kh2 s HIS 30 N -3.88 2.00 -0.25 3.48 3.76 -1.26 0.12 115.29 119.25 2kh2 s HIS 30 Ca 0.26 0.16 -0.01 0.00 -0.15 0.00 0.00 55.06 55.32 2kh2 s HIS 30 Cb 0.07 -3.96 0.03 0.00 1.11 0.00 0.00 32.58 29.84 2kh2 s HIS 30 CO 0.04 -4.01 -0.07 -1.17 -0.85 0.00 0.00 174.74 168.68 2kh2 s LEU 31 N 3.78 3.28 -0.30 0.89 2.96 -1.07 -4.89 118.68 123.33 2kh2 s LEU 31 Ca 0.75 -1.00 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 2kh2 s LEU 31 Cb -0.35 -1.65 0.19 0.00 0.50 0.00 0.00 46.19 44.87 2kh2 s LEU 31 CO 0.31 -0.15 0.69 -1.58 -1.32 0.00 0.00 176.35 174.30 2kh2 s GLN 32 N 1.28 0.50 0.00 1.98 0.74 -1.26 -4.89 119.66 118.01 2kh2 s GLN 32 Ca -0.02 0.89 0.00 0.00 0.05 0.00 0.00 55.36 56.29 2kh2 s GLN 32 Cb -0.17 0.50 0.00 0.00 1.10 0.00 0.00 33.01 34.43 2kh2 s GLN 32 CO -0.04 -0.53 0.00 0.41 -0.55 0.00 0.00 175.29 174.58 2kh2 n GLY 33 N 5.44 0.77 0.00 2.59 0.00 -1.26 -4.78 105.19 107.95 2kh2 n GLY 33 Ca -0.02 -1.89 0.12 0.00 0.00 0.00 0.00 46.02 44.23 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 0.49 -0.08 1.61 -0.06 -1.26 -2.45 117.38 115.64 2kh2 n GLN 34 Ca 0.00 0.04 0.12 0.00 -2.00 0.00 0.00 57.00 55.16 2kh2 n GLN 34 Cb 0.00 -1.50 0.34 0.00 -4.06 0.00 0.00 30.24 25.02 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 -1.19 2.17 -0.03 1.69 9.92 -1.26 -4.27 116.55 123.58 2kh2 n ASP 35 Ca 0.14 -1.76 0.01 0.00 -0.53 0.00 0.00 54.79 52.64 2kh2 n ASP 35 Cb 0.16 -0.10 0.32 0.00 -0.64 0.00 0.00 41.12 40.85 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 2kh2 h MET 36 N 3.02 0.60 0.00 -1.24 4.05 -1.83 -2.61 114.93 116.92 2kh2 h MET 36 Ca 0.00 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 2kh2 h MET 36 Cb 0.66 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 2kh2 h MET 36 CO 0.00 0.53 0.00 0.39 0.23 0.00 0.00 176.91 178.06 2kh2 n GLU 37 N -4.34 0.43 -0.06 0.39 -0.58 -1.26 -2.07 120.64 113.14 2kh2 n GLU 37 Ca 0.03 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.88 2kh2 n GLU 37 Cb 0.18 -1.44 0.42 0.00 -0.57 0.00 0.00 31.44 30.02 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 -0.94 1.65 -2.01 3.49 6.02 -0.98 -4.92 117.38 119.67 2kh2 n GLN 38 Ca 0.09 -0.97 -0.38 0.00 -0.01 0.00 0.00 57.00 55.73 2kh2 n GLN 38 Cb 0.04 -1.40 0.02 0.00 1.02 0.00 0.00 30.24 29.92 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 -1.84 3.46 0.13 -1.09 -2.07 -0.88 -4.69 119.66 112.68 2kh2 s GLN 39 Ca 0.33 2.02 -0.18 0.00 -1.82 0.00 0.00 55.36 55.71 2kh2 s GLN 39 Cb 0.18 -2.35 -0.07 0.00 -1.09 0.00 0.00 33.01 29.68 2kh2 s GLN 39 CO 0.27 -0.87 0.60 0.08 -1.32 0.00 0.00 175.29 174.06 2kh2 s VAL 40 N -1.41 4.72 -0.16 3.63 1.01 -1.10 -5.04 120.40 122.05 2kh2 s VAL 40 Ca 0.67 1.14 -0.03 0.00 0.00 0.00 0.00 61.98 63.76 2kh2 s VAL 40 Cb -0.35 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 2kh2 s VAL 40 CO 0.42 0.39 -0.05 -0.69 0.00 0.00 0.00 175.10 175.17 2kh2 s VAL 41 N -1.30 3.73 -0.10 2.92 1.01 -1.26 -4.56 120.40 120.83 2kh2 s VAL 41 Ca 0.35 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 2kh2 s VAL 41 Cb -0.18 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 2kh2 s VAL 41 CO 0.20 0.49 0.01 -0.36 0.00 0.00 0.00 175.10 175.44 2kh2 s PHE 42 N 0.50 3.18 -0.15 5.22 0.40 -0.30 -1.12 117.98 125.72 2kh2 s PHE 42 Ca -0.04 0.15 -0.21 0.00 -0.60 0.00 0.00 56.93 56.23 2kh2 s PHE 42 Cb -0.14 -1.84 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 2kh2 s PHE 42 CO 0.03 0.40 0.60 -1.12 0.70 0.00 0.00 175.22 175.84 2kh2 s SER 43 N -0.65 6.75 -0.77 1.36 0.01 0.25 -1.89 113.70 118.75 2kh2 s SER 43 Ca 0.11 0.91 -0.21 0.00 1.31 0.00 0.00 55.95 58.06 2kh2 s SER 43 Cb -0.12 -2.35 0.09 0.00 0.21 0.00 0.00 66.02 63.86 2kh2 s SER 43 CO 0.02 -0.16 1.03 -0.04 0.41 0.00 0.00 173.24 174.50 2kh2 s MET 44 N 1.31 3.31 -0.18 12.44 -1.94 0.02 -3.54 119.30 130.71 2kh2 s MET 44 Ca 0.30 -1.21 -0.23 0.00 -1.71 0.00 0.00 55.69 52.83 2kh2 s MET 44 Cb -0.16 -4.53 -0.02 0.00 2.01 0.00 0.00 34.83 32.13 2kh2 s MET 44 CO 0.12 -1.80 0.74 -1.12 -0.01 0.00 0.00 175.02 172.95 2kh2 s SER 45 N 3.71 6.83 -0.54 3.03 0.01 -1.21 -3.68 113.70 121.85 2kh2 s SER 45 Ca 0.26 1.02 -0.27 0.00 1.31 0.00 0.00 55.95 58.28 2kh2 s SER 45 Cb -0.12 -2.41 0.03 0.00 0.21 0.00 0.00 66.02 63.73 2kh2 s SER 45 CO 0.02 -0.35 1.09 -0.36 0.41 0.00 0.00 173.24 174.05 2kh2 s PHE 46 N 2.06 2.72 0.32 2.43 0.08 -1.25 -0.72 117.98 123.62 2kh2 s PHE 46 Ca 0.34 0.35 -0.00 0.00 0.12 0.00 0.00 56.93 57.74 2kh2 s PHE 46 Cb -0.16 -4.34 -0.04 0.00 -0.57 0.00 0.00 43.02 37.92 2kh2 s PHE 46 CO 0.11 -1.43 0.53 0.14 -0.10 0.00 0.00 175.22 174.48 2kh2 s VAL 47 N 4.50 5.10 -0.63 -0.44 -7.23 -1.06 -4.77 120.40 115.87 2kh2 s VAL 47 Ca 0.40 -0.38 -0.22 0.00 -1.81 0.00 0.00 61.98 59.97 2kh2 s VAL 47 Cb -0.09 -3.83 0.07 0.00 0.56 0.00 0.00 36.38 33.09 2kh2 s VAL 47 CO 0.25 -0.49 0.91 -1.58 -0.31 0.00 0.00 175.10 173.88 2kh2 s GLN 48 N -4.11 3.12 0.00 4.82 2.00 -1.00 -4.79 119.66 119.71 2kh2 s GLN 48 Ca 0.40 -0.85 0.00 0.00 -2.00 0.00 0.00 55.36 52.91 2kh2 s GLN 48 Cb -0.10 -4.21 0.00 0.00 0.80 0.00 0.00 33.01 29.50 2kh2 s GLN 48 CO 0.34 -1.72 0.00 0.41 -0.50 0.00 0.00 175.29 173.83 2kh2 n GLY 49 N 5.29 2.69 3.09 2.59 0.00 -1.26 -4.94 105.19 112.65 2kh2 n GLY 49 Ca -0.04 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2kh2 n GLY 49 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kh2 n GLU 50 N 0.00 2.28 -2.28 1.61 4.07 -1.26 -4.85 120.64 120.21 2kh2 n GLU 50 Ca 0.00 -2.42 -0.43 0.00 -0.06 0.00 0.00 57.16 54.25 2kh2 n GLU 50 Cb 0.00 -3.24 0.00 0.00 -0.06 0.00 0.00 31.44 28.14 2kh2 n GLU 50 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2kh2 n GLU 51 N 7.03 3.11 -2.64 5.31 2.13 -1.26 -3.89 120.64 130.42 2kh2 n GLU 51 Ca 0.50 -3.09 -0.24 0.00 0.66 0.00 0.00 57.16 55.00 2kh2 n GLU 51 Cb 0.41 -3.35 0.12 0.00 0.27 0.00 0.00 31.44 28.89 2kh2 n GLU 51 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2kh2 s SER 52 N 3.52 4.23 0.03 4.31 0.01 -0.64 -5.03 113.70 120.13 2kh2 s SER 52 Ca 0.50 -0.51 -0.09 0.00 1.31 0.00 0.00 55.95 57.15 2kh2 s SER 52 Cb 0.08 0.22 -0.31 0.00 0.21 0.00 0.00 66.02 66.21 2kh2 s SER 52 CO 0.01 -1.95 0.97 0.78 0.41 0.00 0.00 173.24 173.45 2kh2 h ASN 53 N -0.56 0.61 0.00 2.44 -0.26 -2.01 -3.39 115.58 112.42 2kh2 h ASN 53 Ca -0.34 -0.72 -0.20 0.00 -0.56 0.00 0.00 56.30 54.49 2kh2 h ASN 53 Cb 1.26 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 38.29 2kh2 h ASN 53 CO 0.37 1.57 -1.07 -2.24 -1.06 0.00 0.00 177.43 175.01 2kh2 h ASP 54 N 0.11 0.01 -3.58 5.81 2.03 -1.93 -3.45 116.42 115.42 2kh2 h ASP 54 Ca -0.23 -0.60 -0.62 0.00 -0.73 0.00 0.00 57.03 54.85 2kh2 h ASP 54 Cb 2.08 -0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 40.44 2kh2 h ASP 54 CO 0.22 1.42 0.02 -0.54 -1.03 0.00 0.00 179.24 179.33 2kh2 s LYS 55 N -2.34 3.94 -0.24 4.15 1.02 -1.26 -2.41 119.74 122.60 2kh2 s LYS 55 Ca -0.27 0.23 -0.08 0.00 0.02 0.00 0.00 55.97 55.87 2kh2 s LYS 55 Cb 0.04 -3.70 -0.03 0.00 -0.52 0.00 0.00 37.83 33.62 2kh2 s LYS 55 CO 0.61 -0.46 0.08 0.42 -0.92 0.00 0.00 175.35 175.08 2kh2 s ILE 56 N 2.40 4.45 -0.44 2.17 -1.09 0.11 -1.62 121.20 127.19 2kh2 s ILE 56 Ca 0.22 -0.13 -0.28 0.00 -2.23 0.00 0.00 60.65 58.22 2kh2 s ILE 56 Cb -0.15 -3.07 0.03 0.00 -1.58 0.00 0.00 42.46 37.68 2kh2 s ILE 56 CO 0.11 0.35 1.09 -2.16 -1.23 0.00 0.00 174.94 173.10 2kh2 s PRO 57 N 1.43 3.78 0.19 2.79 0.04 -1.25 -0.26 135.00 141.71 2kh2 s PRO 57 Ca 0.06 0.63 -0.01 0.00 0.04 0.00 0.00 61.00 61.72 2kh2 s PRO 57 Cb -0.15 -3.87 -0.04 0.00 0.04 0.00 0.00 34.50 30.48 2kh2 s PRO 57 CO 0.04 -1.25 0.12 0.14 0.04 0.00 0.00 177.00 176.09 2kh2 s VAL 58 N 4.17 0.02 0.23 -0.36 -7.23 -0.58 -2.56 120.40 114.10 2kh2 s VAL 58 Ca 0.46 -1.98 0.09 0.00 -1.81 0.00 0.00 61.98 58.74 2kh2 s VAL 58 Cb -0.09 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 2kh2 s VAL 58 CO 0.27 -0.10 -0.00 0.00 -0.31 0.00 0.00 175.10 174.96 2kh2 s ALA 59 N -4.14 3.17 -0.32 1.32 0.00 0.10 -0.22 121.76 121.68 2kh2 s ALA 59 Ca 0.36 -1.55 0.03 0.00 0.00 0.00 0.00 51.96 50.80 2kh2 s ALA 59 Cb 0.07 -0.86 0.09 0.00 0.00 0.00 0.00 23.12 22.43 2kh2 s ALA 59 CO 0.10 0.34 0.03 -0.51 0.00 0.00 0.00 175.76 175.71 2kh2 s LEU 60 N -3.41 4.30 0.12 0.00 1.43 -1.25 -3.31 118.68 116.56 2kh2 s LEU 60 Ca 0.30 -1.98 0.07 0.00 -1.03 0.00 0.00 54.13 51.50 2kh2 s LEU 60 Cb -0.07 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 2kh2 s LEU 60 CO 0.19 -0.35 -0.18 -0.83 0.23 0.00 0.00 176.35 175.41 2kh2 s GLY 61 N 1.00 1.21 0.33 -3.19 0.00 -1.23 -0.72 107.32 104.72 2kh2 s GLY 61 Ca 0.08 -1.31 -0.27 0.00 0.00 0.00 0.00 44.72 43.22 2kh2 s GLY 61 CO -0.09 -1.34 1.03 1.08 0.00 0.00 0.00 173.10 173.78 2kh2 s LEU 62 N -2.25 4.35 0.20 0.66 1.02 -0.38 -0.59 118.68 121.69 2kh2 s LEU 62 Ca 0.09 2.04 -0.33 0.00 0.02 0.00 0.00 54.13 55.96 2kh2 s LEU 62 Cb -0.08 -3.94 -0.13 0.00 0.02 0.00 0.00 46.19 42.07 2kh2 s LEU 62 CO 0.04 -0.23 1.61 1.17 0.02 0.00 0.00 176.35 178.96 2kh2 n LYS 63 N 0.57 2.40 -2.82 1.70 4.81 -0.27 -2.12 118.16 122.44 2kh2 n LYS 63 Ca 0.02 0.86 -0.14 0.00 -0.87 0.00 0.00 58.31 58.18 2kh2 n LYS 63 Cb 0.48 -2.64 -0.01 0.00 0.02 0.00 0.00 35.03 32.88 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 3.28 -2.71 -4.10 1.64 0.28 -1.26 -4.94 120.64 112.83 2kh2 n GLU 64 Ca 0.15 0.40 -0.15 0.00 -0.16 0.00 0.00 57.16 57.40 2kh2 n GLU 64 Cb 0.32 -5.01 -0.12 0.00 1.43 0.00 0.00 31.44 28.07 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 -5.40 0.63 -0.26 3.44 1.02 -0.90 -5.02 119.74 113.24 2kh2 s LYS 65 Ca 0.15 -0.83 0.05 0.00 0.02 0.00 0.00 55.97 55.36 2kh2 s LYS 65 Cb -0.08 -0.48 0.48 0.00 -0.52 0.00 0.00 37.83 37.23 2kh2 s LYS 65 CO 0.19 0.10 1.54 0.27 -0.92 0.00 0.00 175.35 176.52 2kh2 n ASN 66 N 1.39 3.73 -4.46 2.83 6.94 -1.26 -4.45 115.26 119.97 2kh2 n ASN 66 Ca -0.22 -2.95 -0.36 0.00 -0.02 0.00 0.00 54.58 51.03 2kh2 n ASN 66 Cb 0.54 -0.70 -0.12 0.00 -2.36 0.00 0.00 39.78 37.14 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 -2.12 3.43 0.14 -4.53 1.43 -1.26 -0.54 118.68 115.23 2kh2 s LEU 67 Ca 0.38 -0.18 0.10 0.00 -1.03 0.00 0.00 54.13 53.40 2kh2 s LEU 67 Cb 0.31 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 2kh2 s LEU 67 CO 0.08 0.00 -0.23 -0.31 0.23 0.00 0.00 176.35 176.12 2kh2 s TYR 68 N 1.39 2.06 -0.32 0.29 1.51 -0.35 -1.25 117.35 120.67 2kh2 s TYR 68 Ca 0.05 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.42 2kh2 s TYR 68 Cb -0.15 -1.09 -0.00 0.00 -0.11 0.00 0.00 41.96 40.61 2kh2 s TYR 68 CO 0.03 0.32 1.39 -0.51 -1.11 0.00 0.00 175.55 175.67 2kh2 s LEU 69 N -2.19 3.79 -0.13 -1.29 1.43 0.10 -0.69 118.68 119.70 2kh2 s LEU 69 Ca 0.13 1.17 -0.03 0.00 -1.03 0.00 0.00 54.13 54.36 2kh2 s LEU 69 Cb -0.09 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 2kh2 s LEU 69 CO 0.06 -1.22 -0.02 -0.55 0.23 0.00 0.00 176.35 174.85 2kh2 s SER 70 N 3.41 4.97 -0.39 2.29 0.15 0.53 -4.51 113.70 120.16 2kh2 s SER 70 Ca 0.61 -0.02 -0.13 0.00 0.70 0.00 0.00 55.95 57.11 2kh2 s SER 70 Cb -0.17 -1.64 0.02 0.00 -1.71 0.00 0.00 66.02 62.53 2kh2 s SER 70 CO 0.27 0.25 0.24 0.00 1.20 0.00 0.00 173.24 175.20 2kh2 s VAL 72 N 1.60 0.60 -0.24 0.00 -7.23 -0.56 -4.72 120.40 109.85 2kh2 s VAL 72 Ca 0.03 -1.98 -0.19 0.00 -1.81 0.00 0.00 61.98 58.03 2kh2 s VAL 72 Cb -0.19 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 2kh2 s VAL 72 CO 0.08 -0.41 0.57 -0.76 -0.31 0.00 0.00 175.10 174.27 2kh2 s LEU 73 N -3.18 4.08 -0.26 1.32 1.43 -1.26 0.07 118.68 120.89 2kh2 s LEU 73 Ca 0.26 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 54.02 2kh2 s LEU 73 Cb 0.06 -2.76 0.06 0.00 0.03 0.00 0.00 46.19 43.58 2kh2 s LEU 73 CO 0.05 -0.30 -0.06 -0.54 0.23 0.00 0.00 176.35 175.73 2kh2 s LYS 74 N 2.24 1.84 -1.03 1.70 1.02 0.85 -4.77 119.74 121.59 2kh2 s LYS 74 Ca 0.24 -1.22 -0.05 0.00 0.02 0.00 0.00 55.97 54.97 2kh2 s LYS 74 Cb -0.16 -2.75 -0.05 0.00 -0.52 0.00 0.00 37.83 34.35 2kh2 s LYS 74 CO 0.09 -0.63 0.89 -3.47 -0.92 0.00 0.00 175.35 171.32 2kh2 n ASP 75 N 4.54 -5.61 -1.93 2.83 4.64 -1.26 -2.82 116.55 116.94 2kh2 n ASP 75 Ca -0.11 -0.66 -0.19 0.00 -1.38 0.00 0.00 54.79 52.45 2kh2 n ASP 75 Cb 0.43 -5.00 -0.05 0.00 -1.04 0.00 0.00 41.12 35.46 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 -3.13 -5.16 -3.74 1.67 10.43 -1.26 -4.96 116.55 110.39 2kh2 n ASP 76 Ca -0.11 0.27 -0.14 0.00 2.57 0.00 0.00 54.79 57.39 2kh2 n ASP 76 Cb 0.62 -4.47 -0.14 0.00 1.84 0.00 0.00 41.12 38.97 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 2kh2 s LYS 77 N -4.24 0.09 0.01 -1.24 2.47 -1.13 -5.13 119.74 110.58 2kh2 s LYS 77 Ca 0.00 0.40 -0.30 0.00 -1.56 0.00 0.00 55.97 54.51 2kh2 s LYS 77 Cb 0.00 -0.19 -0.06 0.00 -1.46 0.00 0.00 37.83 36.12 2kh2 s LYS 77 CO 0.00 -0.18 1.51 -2.14 0.16 0.00 0.00 175.35 174.70 2kh2 s PRO 78 N 1.30 4.24 0.08 4.03 0.02 -1.26 -0.10 135.00 143.30 2kh2 s PRO 78 Ca -0.08 2.11 0.02 0.00 0.02 0.00 0.00 61.00 63.06 2kh2 s PRO 78 Cb -0.12 -3.64 -0.04 0.00 0.02 0.00 0.00 34.50 30.73 2kh2 s PRO 78 CO -0.06 -0.67 -0.06 0.99 -0.33 0.00 0.00 177.00 176.87 2kh2 s THR 79 N 2.71 0.59 0.11 0.99 2.01 0.11 -4.66 115.64 117.49 2kh2 s THR 79 Ca 0.68 -1.68 -0.05 0.00 0.31 0.00 0.00 61.69 60.95 2kh2 s THR 79 Cb -0.34 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 2kh2 s THR 79 CO 0.28 -0.76 0.34 -0.22 -0.69 0.00 0.00 174.62 173.58 2kh2 s LEU 80 N -2.62 4.30 0.28 4.42 2.96 -1.26 -1.49 118.68 125.27 2kh2 s LEU 80 Ca 0.05 0.57 -0.18 0.00 -0.22 0.00 0.00 54.13 54.35 2kh2 s LEU 80 Cb 0.01 -3.15 0.02 0.00 0.50 0.00 0.00 46.19 43.57 2kh2 s LEU 80 CO -0.04 0.11 0.66 0.00 -1.32 0.00 0.00 176.35 175.76 2kh2 s GLN 81 N -2.43 1.77 -0.40 1.98 -2.07 -0.27 -4.88 119.66 113.36 2kh2 s GLN 81 Ca 0.38 -1.12 -0.13 0.00 -1.82 0.00 0.00 55.36 52.67 2kh2 s GLN 81 Cb -0.13 0.57 0.03 0.00 -1.09 0.00 0.00 33.01 32.39 2kh2 s GLN 81 CO 0.23 -0.80 0.26 -0.51 -1.32 0.00 0.00 175.29 173.16 2kh2 s LEU 82 N -2.97 4.96 -0.16 2.60 2.01 -1.26 -0.35 118.68 123.52 2kh2 s LEU 82 Ca 0.15 -0.97 -0.08 0.00 0.01 0.00 0.00 54.13 53.24 2kh2 s LEU 82 Cb -0.04 -2.10 -0.04 0.00 0.01 0.00 0.00 46.19 44.02 2kh2 s LEU 82 CO 0.08 -0.43 0.12 -0.70 1.01 0.00 0.00 176.35 176.43 2kh2 s GLU 83 N 1.62 3.77 -0.41 1.70 2.12 0.13 -4.89 118.70 122.74 2kh2 s GLU 83 Ca 0.04 -0.20 -0.22 0.00 0.36 0.00 0.00 54.97 54.94 2kh2 s GLU 83 Cb -0.19 -3.26 0.02 0.00 0.26 0.00 0.00 34.13 30.95 2kh2 s GLU 83 CO 0.08 0.54 0.72 -1.12 -0.54 0.00 0.00 175.26 174.94 2kh2 s SER 84 N -0.33 6.42 0.29 -1.70 0.01 -1.26 -1.21 113.70 115.91 2kh2 s SER 84 Ca 0.11 -0.03 0.07 0.00 1.31 0.00 0.00 55.95 57.41 2kh2 s SER 84 Cb -0.12 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.72 2kh2 s SER 84 CO 0.01 -0.78 0.25 0.68 0.41 0.00 0.00 173.24 173.80 2kh2 s VAL 85 N 3.03 4.01 -0.12 3.43 -7.23 0.30 -5.02 120.40 118.79 2kh2 s VAL 85 Ca 0.27 -1.38 -0.31 0.00 -1.81 0.00 0.00 61.98 58.75 2kh2 s VAL 85 Cb -0.13 -3.30 -0.09 0.00 0.56 0.00 0.00 36.38 33.42 2kh2 s VAL 85 CO 0.19 -0.26 2.06 -0.67 -0.31 0.00 0.00 175.10 176.10 2kh2 n ASP 86 N -1.28 3.49 0.20 4.85 4.64 -1.26 -4.82 116.55 122.37 2kh2 n ASP 86 Ca -0.05 0.64 0.14 0.00 -1.38 0.00 0.00 54.79 54.14 2kh2 n ASP 86 Cb 0.59 -1.47 0.67 0.00 -1.04 0.00 0.00 41.12 39.87 2kh2 n ASP 86 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2kh2 h PRO 87 N 11.93 0.00 0.00 -0.67 0.13 -1.91 -2.35 132.00 139.12 2kh2 h PRO 87 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2kh2 h PRO 87 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kh2 h PRO 87 CO 0.96 0.00 -1.46 0.36 -0.23 0.00 0.00 178.00 177.63 2kh2 n LYS 88 N -2.55 0.44 -0.24 0.86 2.85 -1.26 -4.24 118.16 114.03 2kh2 n LYS 88 Ca 0.00 -0.08 0.06 0.00 -1.05 0.00 0.00 58.31 57.25 2kh2 n LYS 88 Cb 0.17 -1.57 0.18 0.00 -0.65 0.00 0.00 35.03 33.16 2kh2 n LYS 88 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2kh2 n ASN 89 N -2.10 3.15 -4.05 -5.58 3.02 -0.93 -4.98 115.26 103.79 2kh2 n ASN 89 Ca -0.01 -2.17 -0.15 0.00 -0.03 0.00 0.00 54.58 52.22 2kh2 n ASN 89 Cb 0.49 -0.30 -0.12 0.00 -0.61 0.00 0.00 39.78 39.24 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 -1.31 0.71 0.64 3.10 1.51 -0.94 -4.56 117.35 116.50 2kh2 s TYR 90 Ca 0.28 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.91 2kh2 s TYR 90 Cb 0.16 -0.43 0.13 0.00 -0.11 0.00 0.00 41.96 41.72 2kh2 s TYR 90 CO 0.15 -0.05 0.88 -0.35 -1.11 0.00 0.00 175.55 175.07 2kh2 n PRO 91 N 1.82 -0.25 -3.99 -1.71 -0.04 -1.26 -4.85 135.00 124.71 2kh2 n PRO 91 Ca -0.20 -2.06 -0.09 0.00 -0.04 0.00 0.00 63.50 61.11 2kh2 n PRO 91 Cb 0.55 -0.68 -0.08 0.00 -0.04 0.00 0.00 33.50 33.25 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 -4.78 1.00 0.07 0.54 -2.85 -1.26 -5.07 119.74 107.39 2kh2 s LYS 92 Ca 0.55 -1.19 -0.21 0.00 -1.00 0.00 0.00 55.97 54.12 2kh2 s LYS 92 Cb -0.03 0.33 -0.11 0.00 -2.06 0.00 0.00 37.83 35.96 2kh2 s LYS 92 CO 0.37 -0.33 1.54 -0.22 0.10 0.00 0.00 175.35 176.81 2kh2 h LYS 93 N 2.70 0.27 -3.84 1.78 3.64 -1.99 -3.36 116.57 115.77 2kh2 h LYS 93 Ca -0.33 -0.07 -0.75 0.00 -1.27 0.00 0.00 60.65 58.23 2kh2 h LYS 93 Cb 1.21 -0.03 -0.29 0.00 -0.41 0.00 0.00 32.23 32.71 2kh2 h LYS 93 CO 0.54 0.44 -0.13 0.21 -2.27 0.00 0.00 179.45 178.23 2kh2 s LYS 94 N -5.19 3.09 0.86 1.90 2.47 -1.26 -2.37 119.74 119.25 2kh2 s LYS 94 Ca -0.14 -2.34 -0.10 0.00 -1.56 0.00 0.00 55.97 51.83 2kh2 s LYS 94 Cb 0.06 -4.14 0.17 0.00 -1.46 0.00 0.00 37.83 32.46 2kh2 s LYS 94 CO 0.71 -1.25 1.19 -1.64 0.16 0.00 0.00 175.35 174.53 2kh2 s MET 95 N 0.35 1.08 0.47 4.03 -1.94 -1.26 -5.05 119.30 116.99 2kh2 s MET 95 Ca 0.15 -0.66 -0.21 0.00 -1.71 0.00 0.00 55.69 53.25 2kh2 s MET 95 Cb -0.17 -2.04 -0.08 0.00 2.01 0.00 0.00 34.83 34.56 2kh2 s MET 95 CO -0.05 -2.02 1.07 -1.21 -0.01 0.00 0.00 175.02 172.81 2kh2 s GLU 96 N -5.59 3.79 0.58 2.03 8.01 -1.26 -4.92 118.70 121.34 2kh2 s GLU 96 Ca 0.71 1.50 0.28 0.00 0.01 0.00 0.00 54.97 57.46 2kh2 s GLU 96 Cb -0.05 -2.22 1.71 0.00 -4.31 0.00 0.00 34.13 29.27 2kh2 s GLU 96 CO 0.50 -0.46 2.19 -0.22 0.01 0.00 0.00 175.26 177.27 2kh2 h LYS 97 N 1.77 0.00 0.00 1.61 1.63 -1.96 0.62 116.57 120.23 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 1.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2kh2 h LYS 97 CO 0.59 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 179.48 2kh2 n ARG 98 N -3.91 0.13 -0.00 1.90 1.85 -1.26 -3.02 116.66 112.35 2kh2 n ARG 98 Ca -0.01 0.04 0.03 0.00 -1.00 0.00 0.00 57.85 56.91 2kh2 n ARG 98 Cb 0.17 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.11 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 -1.43 0.01 -3.51 2.89 3.72 0.18 -0.99 117.46 118.34 2kh2 n PHE 99 Ca 0.09 -0.01 -0.37 0.00 -0.05 0.00 0.00 57.45 57.10 2kh2 n PHE 99 Cb 0.28 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.74 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 -0.55 5.27 0.05 -4.37 1.01 -1.03 -3.91 120.40 116.87 2kh2 s VAL 100 Ca 0.08 0.52 0.08 0.00 0.00 0.00 0.00 61.98 62.66 2kh2 s VAL 100 Cb 0.05 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2kh2 s VAL 100 CO 0.08 0.32 -0.22 -0.36 0.00 0.00 0.00 175.10 174.92 2kh2 s PHE 101 N 0.96 2.45 -0.51 5.22 0.40 0.70 -2.00 117.98 125.20 2kh2 s PHE 101 Ca 0.15 -0.33 -0.15 0.00 -0.60 0.00 0.00 56.93 56.01 2kh2 s PHE 101 Cb -0.14 -1.42 0.11 0.00 0.51 0.00 0.00 43.02 42.08 2kh2 s PHE 101 CO 0.06 0.20 0.45 -0.80 0.70 0.00 0.00 175.22 175.83 2kh2 s ASN 102 N -1.38 6.10 -0.61 1.36 -0.87 0.21 -1.52 114.94 118.22 2kh2 s ASN 102 Ca 0.13 -1.68 -0.27 0.00 -1.57 0.00 0.00 52.86 49.47 2kh2 s ASN 102 Cb -0.10 -2.17 0.00 0.00 -0.02 0.00 0.00 41.25 38.96 2kh2 s ASN 102 CO 0.04 -0.78 1.56 -0.75 -2.57 0.00 0.00 177.10 174.60 2kh2 s LYS 103 N 1.58 3.04 0.09 -0.60 2.20 0.63 -1.31 119.74 125.38 2kh2 s LYS 103 Ca 0.04 0.39 -0.22 0.00 -0.36 0.00 0.00 55.97 55.82 2kh2 s LYS 103 Cb -0.28 -4.23 -0.07 0.00 -1.51 0.00 0.00 37.83 31.74 2kh2 s LYS 103 CO 0.03 -2.27 0.66 0.42 -0.36 0.00 0.00 175.35 173.84 2kh2 s ILE 104 N 7.09 4.63 -0.53 5.43 1.01 0.71 0.09 121.20 139.62 2kh2 s ILE 104 Ca 0.55 1.43 0.05 0.00 0.00 0.00 0.00 60.65 62.67 2kh2 s ILE 104 Cb -0.11 -4.01 0.18 0.00 0.01 0.00 0.00 42.46 38.53 2kh2 s ILE 104 CO 0.21 0.51 0.43 -0.62 0.00 0.00 0.00 174.94 175.48 2kh2 n GLU 105 N 1.88 0.96 0.00 2.79 1.02 -1.01 0.15 120.64 126.43 2kh2 n GLU 105 Ca -0.08 -3.75 0.00 0.00 -0.02 0.00 0.00 57.16 53.32 2kh2 n GLU 105 Cb 0.50 -1.90 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 2.31 0.00 0.00 -3.67 -5.35 -1.17 -4.90 119.36 106.57 2kh2 n ILE 106 Ca 0.26 0.75 0.00 0.00 -0.27 0.00 0.00 62.75 63.49 2kh2 n ILE 106 Cb 0.43 -1.70 0.00 0.00 -1.74 0.00 0.00 39.64 36.63 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 -0.29 0.00 -0.31 7.28 0.23 -1.26 -4.91 115.26 116.00 2kh2 n ASN 107 Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.09 2kh2 n ASN 107 Cb 0.00 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 37.80 2kh2 n ASN 107 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2kh2 n ASN 108 N 0.00 2.57 -4.25 0.53 0.23 -1.26 -4.99 115.26 108.09 2kh2 n ASN 108 Ca 0.00 -2.30 -0.28 0.00 -0.53 0.00 0.00 54.58 51.47 2kh2 n ASN 108 Cb 0.00 -0.21 -0.15 0.00 -2.08 0.00 0.00 39.78 37.34 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2kh2 s LYS 109 N -1.53 1.74 -0.10 -3.83 -0.14 -1.26 -4.99 119.74 109.62 2kh2 s LYS 109 Ca 0.17 -0.81 -0.00 0.00 -1.36 0.00 0.00 55.97 53.97 2kh2 s LYS 109 Cb 0.12 -1.71 -0.02 0.00 -1.68 0.00 0.00 37.83 34.54 2kh2 s LYS 109 CO 0.06 0.46 -0.09 -0.48 -0.76 0.00 0.00 175.35 174.55 2kh2 s LEU 110 N -0.61 3.02 0.25 3.17 2.34 -0.76 -3.03 118.68 123.06 2kh2 s LEU 110 Ca 0.08 -0.14 0.09 0.00 0.06 0.00 0.00 54.13 54.22 2kh2 s LEU 110 Cb -0.09 -1.68 -0.04 0.00 -0.56 0.00 0.00 46.19 43.83 2kh2 s LEU 110 CO -0.00 0.26 0.01 -1.61 -1.06 0.00 0.00 176.35 173.95 2kh2 s GLU 111 N -0.22 2.35 -0.34 1.48 2.02 0.12 -0.22 118.70 123.89 2kh2 s GLU 111 Ca 0.02 -1.33 0.02 0.00 0.02 0.00 0.00 54.97 53.70 2kh2 s GLU 111 Cb -0.13 -2.22 0.10 0.00 0.10 0.00 0.00 34.13 31.97 2kh2 s GLU 111 CO 0.03 0.38 0.06 -0.06 0.02 0.00 0.00 175.26 175.69 2kh2 s PHE 112 N -2.19 3.67 0.08 1.61 0.08 -1.26 -0.21 117.98 119.76 2kh2 s PHE 112 Ca 0.31 -2.79 -0.14 0.00 0.12 0.00 0.00 56.93 54.43 2kh2 s PHE 112 Cb -0.07 -2.85 -0.06 0.00 -0.57 0.00 0.00 43.02 39.46 2kh2 s PHE 112 CO 0.20 -0.94 0.48 -2.00 -0.10 0.00 0.00 175.22 172.86 2kh2 s GLU 113 N 0.98 3.94 -0.05 0.44 2.12 -0.42 -1.85 118.70 123.86 2kh2 s GLU 113 Ca 0.08 0.43 -0.29 0.00 0.36 0.00 0.00 54.97 55.55 2kh2 s GLU 113 Cb -0.20 -3.07 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 2kh2 s GLU 113 CO -0.07 0.58 0.94 0.45 -0.54 0.00 0.00 175.26 176.63 2kh2 s SER 114 N -1.46 7.26 0.11 -1.70 0.15 0.67 0.66 113.70 119.39 2kh2 s SER 114 Ca 0.31 1.54 -0.15 0.00 0.70 0.00 0.00 55.95 58.35 2kh2 s SER 114 Cb -0.16 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.55 2kh2 s SER 114 CO 0.17 -0.30 1.49 0.00 1.20 0.00 0.00 173.24 175.80 2kh2 h ALA 115 N 6.91 0.46 -0.42 5.45 0.00 -1.62 -3.04 119.26 126.99 2kh2 h ALA 115 Ca -0.38 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 2kh2 h ALA 115 Cb 1.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2kh2 h ALA 115 CO 0.78 0.33 -0.03 0.37 0.00 0.00 0.00 179.25 180.71 2kh2 h GLN 116 N 0.43 0.70 -3.30 0.00 4.15 -1.76 -3.36 115.11 111.97 2kh2 h GLN 116 Ca 0.08 -0.19 -0.63 0.00 0.77 0.00 0.00 58.65 58.68 2kh2 h GLN 116 Cb 0.64 -0.08 -0.41 0.00 0.21 0.00 0.00 27.48 27.84 2kh2 h GLN 116 CO 0.04 0.73 -0.65 -0.06 -1.93 0.00 0.00 178.83 176.97 2kh2 s PHE 117 N -4.93 3.00 0.40 3.99 0.08 -1.16 -5.10 117.98 114.26 2kh2 s PHE 117 Ca -0.09 -3.06 -0.27 0.00 0.12 0.00 0.00 56.93 53.63 2kh2 s PHE 117 Cb 0.15 -2.66 -0.10 0.00 -0.57 0.00 0.00 43.02 39.83 2kh2 s PHE 117 CO 0.80 -0.74 1.46 -2.30 -0.10 0.00 0.00 175.22 174.33 2kh2 n PRO 118 N 3.13 2.50 -0.97 0.24 -0.02 -1.16 -2.30 135.00 136.42 2kh2 n PRO 118 Ca 0.06 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 2kh2 n PRO 118 Cb 0.33 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 2kh2 n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2kh2 n ASN 119 N 0.27 -2.40 -4.38 2.55 5.03 -1.26 -5.00 115.26 110.07 2kh2 n ASN 119 Ca 0.03 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.12 2kh2 n ASN 119 Cb 0.39 -0.88 -0.13 0.00 -1.02 0.00 0.00 39.78 38.14 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 -2.34 3.00 0.29 3.10 0.52 -0.97 -4.62 118.94 117.92 2kh2 s TRP 120 Ca 0.00 -0.68 0.11 0.00 0.02 0.00 0.00 56.10 55.55 2kh2 s TRP 120 Cb 0.00 -2.12 -0.05 0.00 -1.15 0.00 0.00 33.47 30.14 2kh2 s TRP 120 CO 0.00 -0.41 -0.16 0.71 0.02 0.00 0.00 176.95 177.10 2kh2 s TYR 121 N 1.35 2.25 -0.23 -1.98 2.02 0.24 -0.24 117.35 120.77 2kh2 s TYR 121 Ca 0.04 -0.41 -0.29 0.00 -0.37 0.00 0.00 57.07 56.05 2kh2 s TYR 121 Cb -0.15 -1.07 -0.02 0.00 -0.40 0.00 0.00 41.96 40.32 2kh2 s TYR 121 CO -0.00 0.64 1.60 0.42 -1.57 0.00 0.00 175.55 176.64 2kh2 s ILE 122 N -2.59 3.71 0.25 2.71 1.01 -0.77 -0.03 121.20 125.49 2kh2 s ILE 122 Ca 0.30 0.80 0.11 0.00 0.00 0.00 0.00 60.65 61.86 2kh2 s ILE 122 Cb -0.03 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 2kh2 s ILE 122 CO 0.15 -0.30 -0.15 -0.44 0.00 0.00 0.00 174.94 174.20 2kh2 s SER 123 N 4.18 3.88 -0.06 3.58 0.01 0.11 -4.49 113.70 120.92 2kh2 s SER 123 Ca 0.71 -0.86 -0.05 0.00 1.31 0.00 0.00 55.95 57.06 2kh2 s SER 123 Cb -0.24 -0.48 0.02 0.00 0.21 0.00 0.00 66.02 65.53 2kh2 s SER 123 CO 0.29 0.05 0.15 0.42 0.41 0.00 0.00 173.24 174.56 2kh2 s THR 124 N -2.25 -0.00 0.84 1.44 -4.23 -0.96 -2.76 115.64 107.72 2kh2 s THR 124 Ca 0.28 0.01 -0.13 0.00 -1.18 0.00 0.00 61.69 60.68 2kh2 s THR 124 Cb -0.06 -0.22 0.11 0.00 1.34 0.00 0.00 72.50 73.66 2kh2 s THR 124 CO 0.15 0.01 1.20 -0.44 -0.54 0.00 0.00 174.62 175.00 2kh2 s SER 125 N 0.16 4.19 0.41 3.99 0.01 -1.26 -0.15 113.70 121.05 2kh2 s SER 125 Ca -0.01 0.69 0.22 0.00 1.31 0.00 0.00 55.95 58.16 2kh2 s SER 125 Cb -0.02 -1.10 0.36 0.00 0.21 0.00 0.00 66.02 65.47 2kh2 s SER 125 CO -0.00 -2.10 1.60 1.56 0.41 0.00 0.00 173.24 174.71 2kh2 h GLN 126 N -1.19 0.00 -6.99 12.44 1.08 -1.99 -3.46 115.11 115.00 2kh2 h GLN 126 Ca -0.46 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.20 2kh2 h GLN 126 Cb 1.31 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 28.86 2kh2 h GLN 126 CO 0.61 0.13 0.71 0.00 -0.95 0.00 0.00 178.83 179.32 2kh2 s ALA 127 N -3.19 3.24 0.29 3.87 0.00 -1.26 -4.97 121.76 119.74 2kh2 s ALA 127 Ca 0.06 1.47 -0.28 0.00 0.00 0.00 0.00 51.96 53.21 2kh2 s ALA 127 Cb 0.06 -3.59 -0.09 0.00 0.00 0.00 0.00 23.12 19.49 2kh2 s ALA 127 CO 0.68 -1.21 1.04 -2.00 0.00 0.00 0.00 175.76 174.27 2kh2 s GLU 128 N -2.46 4.60 -0.81 0.00 2.56 -1.26 -3.61 118.70 117.72 2kh2 s GLU 128 Ca 0.61 1.64 -0.01 0.00 0.00 0.00 0.00 54.97 57.21 2kh2 s GLU 128 Cb -0.44 -3.07 0.00 0.00 2.00 0.00 0.00 34.13 32.63 2kh2 s GLU 128 CO 0.56 0.23 0.15 -1.71 -0.56 0.00 0.00 175.26 173.93 2kh2 n ASN 129 N 0.99 -3.58 -4.78 -1.70 5.15 -1.24 -5.01 115.26 105.09 2kh2 n ASN 129 Ca -0.00 -0.07 -0.37 0.00 -0.60 0.00 0.00 54.58 53.53 2kh2 n ASN 129 Cb 0.47 -2.66 -0.06 0.00 -0.53 0.00 0.00 39.78 36.99 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 -4.80 4.07 1.20 1.20 -1.94 -1.21 -4.87 119.30 112.96 2kh2 s MET 130 Ca 0.07 0.23 -0.19 0.00 -1.71 0.00 0.00 55.69 54.10 2kh2 s MET 130 Cb -0.03 -3.34 0.28 0.00 2.01 0.00 0.00 34.83 33.76 2kh2 s MET 130 CO 0.09 0.43 1.10 -2.14 -0.01 0.00 0.00 175.02 174.49 2kh2 s PRO 131 N -0.17 -1.21 -0.16 2.03 0.02 -1.26 -0.03 135.00 134.22 2kh2 s PRO 131 Ca 0.20 -0.01 -0.10 0.00 0.02 0.00 0.00 61.00 61.11 2kh2 s PRO 131 Cb -0.14 -1.59 -0.05 0.00 0.02 0.00 0.00 34.50 32.74 2kh2 s PRO 131 CO 0.08 -3.71 0.18 0.08 -0.33 0.00 0.00 177.00 173.30 2kh2 s VAL 132 N -2.96 5.39 0.24 3.83 1.01 -0.58 -4.61 120.40 122.72 2kh2 s VAL 132 Ca 0.70 0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.97 2kh2 s VAL 132 Cb -0.11 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 2kh2 s VAL 132 CO 0.56 0.48 0.24 0.72 0.00 0.00 0.00 175.10 177.10 2kh2 s PHE 133 N -0.01 1.12 -0.19 5.22 -0.71 -1.11 -4.83 117.98 117.47 2kh2 s PHE 133 Ca 0.12 -1.31 -0.14 0.00 -1.04 0.00 0.00 56.93 54.56 2kh2 s PHE 133 Cb -0.12 -0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 41.23 2kh2 s PHE 133 CO 0.01 -0.78 0.31 -1.17 -1.34 0.00 0.00 175.22 172.25 2kh2 s LEU 134 N -3.18 4.20 0.09 -1.99 2.96 -1.26 -0.71 118.68 118.79 2kh2 s LEU 134 Ca 0.36 0.45 0.08 0.00 -0.22 0.00 0.00 54.13 54.80 2kh2 s LEU 134 Cb 0.04 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 2kh2 s LEU 134 CO 0.15 0.04 -0.20 -0.83 -1.32 0.00 0.00 176.35 174.19 2kh2 s GLY 135 N 0.74 1.18 -0.16 7.98 0.00 0.96 -4.85 107.32 113.17 2kh2 s GLY 135 Ca 0.16 -1.20 0.16 0.00 0.00 0.00 0.00 44.72 43.84 2kh2 s GLY 135 CO 0.05 -1.20 1.41 0.61 0.00 0.00 0.00 173.10 173.97 2kh2 n GLY 136 N 1.15 3.92 3.07 0.20 0.00 -1.26 -0.59 105.19 111.68 2kh2 n GLY 136 Ca -0.20 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.67 3.39 -0.03 2.61 2.01 -1.26 -4.96 115.64 114.73 2kh2 s THR 137 Ca 0.41 -2.86 -0.22 0.00 0.31 0.00 0.00 61.69 59.32 2kh2 s THR 137 Cb 0.32 -3.26 -0.05 0.00 0.01 0.00 0.00 72.50 69.53 2kh2 s THR 137 CO 0.09 -0.82 0.65 -0.75 -0.69 0.00 0.00 174.62 173.10 2kh2 s LYS 138 N 0.12 4.39 -0.21 4.92 2.20 -1.26 -3.75 119.74 126.15 2kh2 s LYS 138 Ca 0.15 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 56.58 2kh2 s LYS 138 Cb -0.22 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 2kh2 s LYS 138 CO -0.03 0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.59 2kh2 n GLY 139 N 2.75 0.55 0.00 5.54 0.00 -1.26 -5.01 105.19 107.76 2kh2 n GLY 139 Ca -0.04 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2kh2 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 140 N -2.60 0.86 0.10 -0.02 0.00 -1.25 -5.00 105.19 97.28 2kh2 n GLY 140 Ca -0.02 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 0.10 -6.69 1.61 7.50 -1.95 -3.46 115.11 112.23 2kh2 h GLN 141 Ca 0.00 -0.18 -0.51 0.00 0.50 0.00 0.00 58.65 58.47 2kh2 h GLN 141 Cb 0.00 0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.59 2kh2 h GLN 141 CO 0.00 0.79 0.40 -0.51 -1.50 0.00 0.00 178.83 178.02 2kh2 s ASP 142 N -6.49 7.46 0.00 1.46 1.01 -1.26 -4.47 116.67 114.37 2kh2 s ASP 142 Ca -0.09 1.99 -0.30 0.00 0.71 0.00 0.00 52.55 54.86 2kh2 s ASP 142 Cb 0.08 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 2kh2 s ASP 142 CO 0.81 -0.04 1.05 -0.63 0.21 0.00 0.00 175.17 176.58 2kh2 s ILE 143 N -0.64 4.63 -0.05 0.77 1.09 0.79 -4.55 121.20 123.23 2kh2 s ILE 143 Ca 0.45 1.89 0.11 0.00 -1.10 0.00 0.00 60.65 61.99 2kh2 s ILE 143 Cb -0.27 -4.21 -0.16 0.00 -1.06 0.00 0.00 42.46 36.76 2kh2 s ILE 143 CO 0.33 0.13 0.16 0.35 -0.10 0.00 0.00 174.94 175.81 2kh2 n THR 144 N 4.00 0.31 -3.02 2.92 -2.24 -1.26 -2.26 114.28 112.73 2kh2 n THR 144 Ca 0.07 -0.34 -0.36 0.00 -2.27 0.00 0.00 64.05 61.15 2kh2 n THR 144 Cb 0.49 -0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.50 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 -3.73 7.10 0.32 3.42 -4.77 -1.26 -4.25 116.67 113.49 2kh2 s ASP 145 Ca -0.05 1.52 0.04 0.00 -3.30 0.00 0.00 52.55 50.76 2kh2 s ASP 145 Cb 0.06 -2.46 -0.02 0.00 -1.09 0.00 0.00 42.92 39.40 2kh2 s ASP 145 CO 0.46 -0.02 0.30 -0.36 0.70 0.00 0.00 175.17 176.25 2kh2 s PHE 146 N -1.60 1.52 0.44 2.11 0.08 0.69 -4.26 117.98 116.97 2kh2 s PHE 146 Ca 0.46 -1.54 0.05 0.00 0.12 0.00 0.00 56.93 56.02 2kh2 s PHE 146 Cb -0.16 -0.55 -0.06 0.00 -0.57 0.00 0.00 43.02 41.68 2kh2 s PHE 146 CO 0.21 -0.90 0.02 0.95 -0.10 0.00 0.00 175.22 175.40 2kh2 s THR 147 N -3.45 1.77 -0.42 0.64 -4.23 -0.74 -1.83 115.64 107.38 2kh2 s THR 147 Ca 0.38 -1.98 0.07 0.00 -1.18 0.00 0.00 61.69 58.98 2kh2 s THR 147 Cb 0.02 -2.75 0.24 0.00 1.34 0.00 0.00 72.50 71.35 2kh2 s THR 147 CO 0.24 0.00 0.51 0.80 -0.54 0.00 0.00 174.62 175.63 2kh2 n MET 148 N -1.08 0.78 -2.29 3.99 1.56 -1.26 -4.22 117.12 114.61 2kh2 n MET 148 Ca -0.09 -3.35 -0.43 0.00 -0.27 0.00 0.00 57.70 53.57 2kh2 n MET 148 Cb 0.67 -1.39 -0.02 0.00 2.15 0.00 0.00 33.22 34.63 2kh2 n MET 148 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2kh2 s GLN 149 N -1.08 4.11 -0.07 2.12 -0.21 -1.04 -4.84 119.66 118.66 2kh2 s GLN 149 Ca 0.35 1.71 -0.30 0.00 0.02 0.00 0.00 55.36 57.14 2kh2 s GLN 149 Cb 0.14 -3.87 -0.03 0.00 1.00 0.00 0.00 33.01 30.25 2kh2 s GLN 149 CO -0.12 -0.88 1.27 -0.06 -2.12 0.00 0.00 175.29 173.38 2kh2 s PHE 150 N 3.99 3.01 0.01 0.91 0.40 -1.26 -1.75 117.98 123.28 2kh2 s PHE 150 Ca 0.61 1.05 0.00 0.00 -0.60 0.00 0.00 56.93 58.00 2kh2 s PHE 150 Cb -0.24 -3.51 0.00 0.00 0.51 0.00 0.00 43.02 39.79 2kh2 s PHE 150 CO 0.21 -1.71 0.00 1.33 0.70 0.00 0.00 175.22 175.75 2kh2 n VAL 151 N 4.82 0.00 -4.44 -0.44 0.24 -1.06 -5.00 118.33 112.44 2kh2 n VAL 151 Ca 0.12 -0.05 -0.32 0.00 -2.04 0.00 0.00 64.34 62.05 2kh2 n VAL 151 Cb 0.45 -0.18 -0.10 0.00 -1.47 0.00 0.00 33.84 32.54 2kh2 n VAL 151 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2kh2 s SER 152 N -1.06 4.73 0.00 -1.34 1.04 -1.26 -4.81 113.70 111.00 2kh2 s SER 152 Ca 0.00 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.33 2kh2 s SER 152 Cb -0.00 -1.14 0.00 0.00 0.10 0.00 0.00 66.02 64.98 2kh2 s SER 152 CO 0.00 0.29 0.00 -1.20 0.98 0.00 0.00 173.24 173.32