#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 0.39 -5.01 0.00 0.13 -2.05 -3.43 132.00 122.03 2kh2 h PRO 2 Ca 0.00 -0.41 -0.67 0.00 -0.87 0.00 0.00 66.00 64.06 2kh2 h PRO 2 Cb 0.00 0.11 -0.35 0.00 0.13 0.00 0.00 31.00 30.89 2kh2 h PRO 2 CO 0.00 1.07 -0.83 0.54 -0.23 0.00 0.00 178.00 178.55 2kh2 s VAL 3 N -3.25 2.22 0.08 1.56 0.11 -1.26 -4.97 120.40 114.89 2kh2 s VAL 3 Ca -0.13 -1.06 -0.02 0.00 -2.93 0.00 0.00 61.98 57.84 2kh2 s VAL 3 Cb 0.03 -2.03 -0.05 0.00 -1.53 0.00 0.00 36.38 32.81 2kh2 s VAL 3 CO 0.81 0.39 0.27 0.00 -3.33 0.00 0.00 175.10 173.24 2kh2 s ARG 4 N 1.27 3.51 0.24 1.54 1.70 -1.26 -5.04 118.95 120.90 2kh2 s ARG 4 Ca 0.02 -0.29 -0.07 0.00 -0.47 0.00 0.00 55.73 54.92 2kh2 s ARG 4 Cb -0.15 -2.98 0.03 0.00 -0.57 0.00 0.00 34.95 31.28 2kh2 s ARG 4 CO -0.10 0.57 0.43 0.43 -1.08 0.00 0.00 175.30 175.55 2kh2 n SER 5 N 0.31 -1.24 -3.84 -2.89 7.64 -1.26 -3.68 113.62 108.67 2kh2 n SER 5 Ca -0.05 -2.04 -0.09 0.00 1.01 0.00 0.00 58.87 57.70 2kh2 n SER 5 Cb 0.51 2.12 -0.05 0.00 -1.01 0.00 0.00 64.21 65.79 2kh2 n SER 5 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2kh2 s LEU 6 N 0.00 0.30 -0.07 -3.43 0.05 -1.22 -4.96 118.68 109.35 2kh2 s LEU 6 Ca 0.12 -0.65 0.05 0.00 0.05 0.00 0.00 54.13 53.71 2kh2 s LEU 6 Cb -0.02 1.90 -0.01 0.00 -2.05 0.00 0.00 46.19 46.00 2kh2 s LEU 6 CO 0.09 -1.05 -0.23 0.20 -0.55 0.00 0.00 176.35 174.81 2kh2 s ASN 7 N -2.92 3.22 0.25 1.48 0.01 -1.26 -0.06 114.94 115.66 2kh2 s ASN 7 Ca 0.13 -0.48 -0.15 0.00 -0.71 0.00 0.00 52.86 51.65 2kh2 s ASN 7 Cb -0.00 -0.94 0.00 0.00 0.41 0.00 0.00 41.25 40.73 2kh2 s ASN 7 CO 0.00 0.24 0.55 0.00 -1.51 0.00 0.00 177.10 176.38 2kh2 s THR 9 N -3.98 3.40 -0.14 0.00 -4.23 -0.17 -1.20 115.64 109.31 2kh2 s THR 9 Ca 0.18 -1.31 -0.00 0.00 -1.18 0.00 0.00 61.69 59.38 2kh2 s THR 9 Cb -0.02 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 2kh2 s THR 9 CO 0.08 0.07 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.34 2kh2 s LEU 10 N -2.32 2.68 -0.04 4.79 1.43 -1.26 -2.20 118.68 121.76 2kh2 s LEU 10 Ca 0.22 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2kh2 s LEU 10 Cb -0.11 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.50 2kh2 s LEU 10 CO 0.14 0.14 -0.13 -0.13 0.23 0.00 0.00 176.35 176.60 2kh2 s ARG 11 N 0.52 1.45 0.80 1.70 0.52 -1.26 -4.05 118.95 118.63 2kh2 s ARG 11 Ca -0.09 -0.45 -0.14 0.00 -0.52 0.00 0.00 55.73 54.54 2kh2 s ARG 11 Cb -0.16 -1.27 0.19 0.00 0.52 0.00 0.00 34.95 34.23 2kh2 s ARG 11 CO 0.04 0.15 0.91 -0.40 0.02 0.00 0.00 175.30 176.02 2kh2 n ASP 12 N 3.34 -0.68 0.09 0.23 5.75 -1.18 -1.36 116.55 122.72 2kh2 n ASP 12 Ca -0.19 -1.21 0.08 0.00 -0.01 0.00 0.00 54.79 53.46 2kh2 n ASP 12 Cb 0.53 -0.75 0.39 0.00 -1.03 0.00 0.00 41.12 40.26 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2kh2 n SER 13 N -3.94 0.38 -1.12 -1.12 7.64 -1.24 -0.96 113.62 113.25 2kh2 n SER 13 Ca 0.12 0.63 0.11 0.00 1.01 0.00 0.00 58.87 60.74 2kh2 n SER 13 Cb 0.43 -0.70 0.22 0.00 -1.01 0.00 0.00 64.21 63.15 2kh2 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kh2 n GLN 14 N -1.96 2.47 -2.30 1.43 1.13 -1.26 -4.94 117.38 111.96 2kh2 n GLN 14 Ca 0.01 -2.28 -0.16 0.00 -1.94 0.00 0.00 57.00 52.63 2kh2 n GLN 14 Cb 0.12 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 28.96 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 1.43 -1.27 -2.34 -1.09 1.13 -0.14 -4.98 117.38 110.13 2kh2 n GLN 15 Ca 0.19 0.77 -0.31 0.00 -1.94 0.00 0.00 57.00 55.71 2kh2 n GLN 15 Cb 0.59 -5.15 -0.02 0.00 0.11 0.00 0.00 30.24 25.76 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 -4.78 3.80 0.14 -1.09 1.02 -1.26 -4.52 119.74 113.05 2kh2 s LYS 16 Ca 0.00 0.77 0.10 0.00 0.02 0.00 0.00 55.97 56.86 2kh2 s LYS 16 Cb 0.00 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 2kh2 s LYS 16 CO 0.00 -0.31 -0.19 -1.12 -0.92 0.00 0.00 175.35 172.80 2kh2 s SER 17 N -3.46 3.78 -0.19 2.83 0.01 0.17 -3.13 113.70 113.70 2kh2 s SER 17 Ca 0.56 -0.64 -0.19 0.00 1.31 0.00 0.00 55.95 56.99 2kh2 s SER 17 Cb -0.10 -0.47 -0.03 0.00 0.21 0.00 0.00 66.02 65.62 2kh2 s SER 17 CO 0.39 0.16 0.54 -0.76 0.41 0.00 0.00 173.24 173.98 2kh2 s LEU 18 N -2.30 4.16 0.11 2.44 1.43 -1.26 -1.28 118.68 121.98 2kh2 s LEU 18 Ca 0.19 0.73 0.09 0.00 -1.03 0.00 0.00 54.13 54.12 2kh2 s LEU 18 Cb -0.10 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 2kh2 s LEU 18 CO 0.10 -0.18 -0.24 0.68 0.23 0.00 0.00 176.35 176.94 2kh2 s VAL 19 N 1.59 1.98 -0.63 -1.59 -7.23 0.36 -1.29 120.40 113.60 2kh2 s VAL 19 Ca 0.26 -1.62 -0.28 0.00 -1.81 0.00 0.00 61.98 58.53 2kh2 s VAL 19 Cb -0.16 -1.77 0.02 0.00 0.56 0.00 0.00 36.38 35.04 2kh2 s VAL 19 CO 0.10 0.04 1.30 -0.04 -0.31 0.00 0.00 175.10 176.19 2kh2 s MET 20 N -1.91 3.32 0.00 4.82 -1.94 -1.26 -0.82 119.30 121.51 2kh2 s MET 20 Ca 0.10 0.16 0.00 0.00 -1.71 0.00 0.00 55.69 54.24 2kh2 s MET 20 Cb -0.10 -4.11 0.00 0.00 2.01 0.00 0.00 34.83 32.63 2kh2 s MET 20 CO 0.05 -1.94 0.29 0.45 -0.01 0.00 0.00 175.02 173.86 2kh2 n SER 21 N 9.20 0.00 0.00 3.03 2.88 0.33 -4.96 113.62 124.10 2kh2 n SER 21 Ca 0.08 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 2kh2 n SER 21 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 0.62 2.87 0.19 0.46 0.00 -1.21 -4.94 105.19 103.18 2kh2 n GLY 22 Ca 0.00 -2.00 0.06 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 0.00 -0.12 1.61 0.13 -2.03 -3.29 132.00 128.31 2kh2 h PRO 23 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.96 2kh2 h PRO 23 Cb 0.00 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 30.82 2kh2 h PRO 23 CO 0.00 0.36 -0.92 0.66 -0.23 0.00 0.00 178.00 177.87 2kh2 n TYR 24 N -3.60 0.39 -4.23 1.56 4.01 -1.26 -5.02 117.16 109.01 2kh2 n TYR 24 Ca -0.01 -1.10 -0.17 0.00 -0.16 0.00 0.00 57.90 56.47 2kh2 n TYR 24 Cb 0.48 -0.20 -0.13 0.00 -0.31 0.00 0.00 39.34 39.18 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 -1.57 0.64 -0.01 -0.72 2.12 -1.24 -3.85 118.70 114.07 2kh2 s GLU 25 Ca 0.35 -0.50 0.05 0.00 0.36 0.00 0.00 54.97 55.22 2kh2 s GLU 25 Cb 0.38 -0.58 -0.01 0.00 0.26 0.00 0.00 34.13 34.18 2kh2 s GLU 25 CO -0.11 0.14 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.08 2kh2 s LEU 26 N -0.76 2.02 0.13 2.70 1.43 -1.26 -0.51 118.68 122.43 2kh2 s LEU 26 Ca -0.01 -0.29 0.08 0.00 -1.03 0.00 0.00 54.13 52.88 2kh2 s LEU 26 Cb -0.06 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 2kh2 s LEU 26 CO 0.00 0.19 -0.19 -0.54 0.23 0.00 0.00 176.35 176.05 2kh2 s LYS 27 N -0.35 1.17 -0.26 1.70 1.02 -0.00 -2.00 119.74 121.02 2kh2 s LYS 27 Ca 0.06 -1.27 -0.02 0.00 0.02 0.00 0.00 55.97 54.76 2kh2 s LYS 27 Cb -0.06 -1.29 0.03 0.00 -0.52 0.00 0.00 37.83 35.99 2kh2 s LYS 27 CO -0.01 0.28 -0.05 0.00 -0.92 0.00 0.00 175.35 174.65 2kh2 s ALA 28 N -1.66 2.72 0.08 5.17 0.00 0.68 -0.49 121.76 128.25 2kh2 s ALA 28 Ca 0.10 -1.51 -0.05 0.00 0.00 0.00 0.00 51.96 50.50 2kh2 s ALA 28 Cb -0.08 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 2kh2 s ALA 28 CO 0.05 -0.89 0.09 -0.48 0.00 0.00 0.00 175.76 174.53 2kh2 s LEU 29 N 1.31 1.88 0.13 0.00 0.05 -0.40 -3.36 118.68 118.29 2kh2 s LEU 29 Ca -0.01 -0.84 -0.31 0.00 0.05 0.00 0.00 54.13 53.02 2kh2 s LEU 29 Cb -0.17 0.65 -0.09 0.00 -2.05 0.00 0.00 46.19 44.53 2kh2 s LEU 29 CO -0.04 -0.68 1.46 -1.00 -0.55 0.00 0.00 176.35 175.54 2kh2 s HIS 30 N -3.90 3.16 -0.38 3.48 3.76 -1.26 0.41 115.29 120.56 2kh2 s HIS 30 Ca 0.07 0.82 0.01 0.00 -0.15 0.00 0.00 55.06 55.81 2kh2 s HIS 30 Cb 0.06 -3.78 0.13 0.00 1.11 0.00 0.00 32.58 30.11 2kh2 s HIS 30 CO -0.10 -2.80 0.21 -1.17 -0.85 0.00 0.00 174.74 170.03 2kh2 s LEU 31 N 1.15 1.81 -0.20 0.89 2.96 -1.26 -4.88 118.68 119.15 2kh2 s LEU 31 Ca 0.67 -2.27 -0.00 0.00 -0.22 0.00 0.00 54.13 52.31 2kh2 s LEU 31 Cb -0.39 -0.71 0.05 0.00 0.50 0.00 0.00 46.19 45.64 2kh2 s LEU 31 CO 0.31 -0.31 -0.05 -1.10 -1.32 0.00 0.00 176.35 173.88 2kh2 s GLN 32 N 0.88 1.50 0.00 1.98 -1.52 -1.26 -4.54 119.66 116.69 2kh2 s GLN 32 Ca 0.17 -0.75 0.00 0.00 -1.95 0.00 0.00 55.36 52.83 2kh2 s GLN 32 Cb -0.23 -2.32 0.00 0.00 -0.22 0.00 0.00 33.01 30.24 2kh2 s GLN 32 CO -0.04 -0.53 0.00 0.41 -0.25 0.00 0.00 175.29 174.89 2kh2 n GLY 33 N 4.78 0.76 0.00 3.09 0.00 -1.26 -4.81 105.19 107.76 2kh2 n GLY 33 Ca -0.12 -1.63 0.08 0.00 0.00 0.00 0.00 46.02 44.35 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 0.86 -0.05 1.61 -0.06 -1.26 -2.42 117.38 116.06 2kh2 n GLN 34 Ca 0.00 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.05 2kh2 n GLN 34 Cb 0.00 -1.28 0.07 0.00 -4.06 0.00 0.00 30.24 24.97 2kh2 n GLN 34 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 2kh2 n ASP 35 N -0.78 2.19 0.21 1.69 5.68 -1.26 -4.54 116.55 119.74 2kh2 n ASP 35 Ca 0.12 -1.61 0.06 0.00 -0.50 0.00 0.00 54.79 52.86 2kh2 n ASP 35 Cb 0.05 -0.06 0.46 0.00 -1.14 0.00 0.00 41.12 40.43 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 2kh2 h MET 36 N 2.11 0.00 -0.26 0.11 4.05 -1.71 -2.91 114.93 116.31 2kh2 h MET 36 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kh2 h MET 36 Cb 0.53 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 2kh2 h MET 36 CO 0.00 0.29 0.00 0.39 0.23 0.00 0.00 176.91 177.82 2kh2 n GLU 37 N -3.85 0.71 -0.28 0.39 -0.58 -1.26 -2.45 120.64 113.32 2kh2 n GLU 37 Ca -0.01 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.84 2kh2 n GLU 37 Cb 0.37 -1.13 0.28 0.00 -0.57 0.00 0.00 31.44 30.39 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 -0.26 2.53 -2.08 3.49 6.02 -1.10 -4.96 117.38 121.02 2kh2 n GLN 38 Ca 0.00 -2.35 -0.41 0.00 -0.01 0.00 0.00 57.00 54.22 2kh2 n GLN 38 Cb 0.07 -1.52 -0.03 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 -1.26 4.31 0.19 -1.09 -2.07 -1.02 -4.64 119.66 114.07 2kh2 s GLN 39 Ca 0.43 2.21 -0.30 0.00 -1.82 0.00 0.00 55.36 55.88 2kh2 s GLN 39 Cb 0.23 -3.15 -0.08 0.00 -1.09 0.00 0.00 33.01 28.92 2kh2 s GLN 39 CO 0.31 -0.38 1.09 0.08 -1.32 0.00 0.00 175.29 175.07 2kh2 s VAL 40 N 0.22 3.87 -0.19 3.63 1.01 -0.41 -5.03 120.40 123.51 2kh2 s VAL 40 Ca 0.60 1.64 -0.07 0.00 0.00 0.00 0.00 61.98 64.15 2kh2 s VAL 40 Cb -0.40 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2kh2 s VAL 40 CO 0.39 0.29 0.04 -0.69 0.00 0.00 0.00 175.10 175.14 2kh2 s VAL 41 N -0.34 4.52 -0.09 2.92 1.01 -1.26 -4.57 120.40 122.58 2kh2 s VAL 41 Ca 0.49 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 2kh2 s VAL 41 Cb -0.29 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2kh2 s VAL 41 CO 0.35 0.45 -0.01 -0.36 0.00 0.00 0.00 175.10 175.53 2kh2 s PHE 42 N 0.57 3.12 -0.22 5.22 0.08 -0.34 -1.18 117.98 125.23 2kh2 s PHE 42 Ca 0.02 0.12 -0.20 0.00 0.12 0.00 0.00 56.93 57.00 2kh2 s PHE 42 Cb -0.13 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.49 2kh2 s PHE 42 CO 0.02 0.40 0.58 -1.12 -0.10 0.00 0.00 175.22 174.99 2kh2 s SER 43 N -0.73 6.59 -0.96 1.36 0.01 0.02 -1.89 113.70 118.10 2kh2 s SER 43 Ca 0.11 0.71 -0.20 0.00 1.31 0.00 0.00 55.95 57.88 2kh2 s SER 43 Cb -0.12 -2.32 0.11 0.00 0.21 0.00 0.00 66.02 63.90 2kh2 s SER 43 CO 0.02 -0.27 1.23 -0.04 0.41 0.00 0.00 173.24 174.58 2kh2 s MET 44 N 2.04 3.59 -0.03 12.44 -1.94 0.91 -3.71 119.30 132.59 2kh2 s MET 44 Ca 0.26 -1.55 -0.24 0.00 -1.71 0.00 0.00 55.69 52.44 2kh2 s MET 44 Cb -0.16 -5.05 -0.04 0.00 2.01 0.00 0.00 34.83 31.60 2kh2 s MET 44 CO 0.09 -1.91 0.74 -1.12 -0.01 0.00 0.00 175.02 172.82 2kh2 s SER 45 N 4.05 7.08 -0.60 3.03 0.01 -1.15 -3.37 113.70 122.75 2kh2 s SER 45 Ca 0.37 1.30 -0.23 0.00 1.31 0.00 0.00 55.95 58.69 2kh2 s SER 45 Cb -0.03 -2.44 0.05 0.00 0.21 0.00 0.00 66.02 63.81 2kh2 s SER 45 CO -0.09 -0.10 0.94 -0.36 0.41 0.00 0.00 173.24 174.03 2kh2 s PHE 46 N 0.61 2.75 0.34 2.43 0.40 -1.24 -0.19 117.98 123.07 2kh2 s PHE 46 Ca 0.39 -0.29 -0.11 0.00 -0.60 0.00 0.00 56.93 56.32 2kh2 s PHE 46 Cb -0.19 -4.14 -0.07 0.00 0.51 0.00 0.00 43.02 39.13 2kh2 s PHE 46 CO 0.20 -1.47 0.71 0.14 0.70 0.00 0.00 175.22 175.50 2kh2 s VAL 47 N 3.94 4.79 -0.64 -0.44 -7.23 -1.06 -4.82 120.40 114.94 2kh2 s VAL 47 Ca 0.26 0.65 -0.27 0.00 -1.81 0.00 0.00 61.98 60.81 2kh2 s VAL 47 Cb -0.15 -3.68 0.03 0.00 0.56 0.00 0.00 36.38 33.15 2kh2 s VAL 47 CO 0.15 -0.33 1.20 -1.58 -0.31 0.00 0.00 175.10 174.23 2kh2 s GLN 48 N -3.39 3.36 0.00 4.82 2.00 -0.50 -4.77 119.66 121.18 2kh2 s GLN 48 Ca 0.51 -0.02 0.00 0.00 -2.00 0.00 0.00 55.36 53.85 2kh2 s GLN 48 Cb -0.10 -4.09 0.00 0.00 0.80 0.00 0.00 33.01 29.62 2kh2 s GLN 48 CO 0.25 -1.86 0.00 0.41 -0.50 0.00 0.00 175.29 173.59 2kh2 n GLY 49 N 5.20 2.97 3.37 2.59 0.00 -1.26 -4.89 105.19 113.16 2kh2 n GLY 49 Ca 0.05 -0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.61 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 3.21 3.72 -1.20 1.61 2.56 -1.26 -4.97 118.70 122.37 2kh2 s GLU 50 Ca 0.00 -2.43 -0.18 0.00 0.00 0.00 0.00 54.97 52.36 2kh2 s GLU 50 Cb 0.00 -4.59 0.09 0.00 2.00 0.00 0.00 34.13 31.62 2kh2 s GLU 50 CO 0.00 -1.42 1.58 -1.21 -0.56 0.00 0.00 175.26 173.66 2kh2 s GLU 51 N 0.59 3.91 0.00 4.30 2.02 -1.26 -4.05 118.70 124.20 2kh2 s GLU 51 Ca 0.25 -1.93 0.00 0.00 0.02 0.00 0.00 54.97 53.31 2kh2 s GLU 51 Cb -0.08 -5.37 0.00 0.00 0.10 0.00 0.00 34.13 28.77 2kh2 s GLU 51 CO -0.08 -2.12 0.00 0.43 0.02 0.00 0.00 175.26 173.50 2kh2 n SER 52 N 7.84 0.00 -0.02 -0.19 7.64 -0.35 -5.03 113.62 123.51 2kh2 n SER 52 Ca 0.42 -0.79 -0.17 0.00 1.01 0.00 0.00 58.87 59.34 2kh2 n SER 52 Cb 0.47 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.53 2kh2 n SER 52 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2kh2 n ASN 53 N -2.36 1.65 -0.11 6.43 5.15 -1.26 -4.53 115.26 120.23 2kh2 n ASN 53 Ca 0.00 0.24 -0.22 0.00 -0.60 0.00 0.00 54.58 54.00 2kh2 n ASN 53 Cb 0.00 -0.52 -0.12 0.00 -0.53 0.00 0.00 39.78 38.62 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2kh2 n ASP 54 N -3.30 1.99 -4.59 1.20 5.75 -1.26 -4.88 116.55 111.45 2kh2 n ASP 54 Ca -0.28 0.09 -0.40 0.00 -0.01 0.00 0.00 54.79 54.19 2kh2 n ASP 54 Cb 1.05 -0.64 -0.08 0.00 -1.03 0.00 0.00 41.12 40.42 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 -2.51 3.89 -0.17 0.11 2.20 -1.26 -3.66 119.74 118.34 2kh2 s LYS 55 Ca -0.34 0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 2kh2 s LYS 55 Cb 0.10 -3.71 0.01 0.00 -1.51 0.00 0.00 37.83 32.72 2kh2 s LYS 55 CO 0.59 -0.42 -0.16 0.42 -0.36 0.00 0.00 175.35 175.42 2kh2 s ILE 56 N 2.23 2.46 -0.50 5.43 -1.09 -0.86 -1.21 121.20 127.66 2kh2 s ILE 56 Ca 0.18 -0.82 -0.29 0.00 -2.23 0.00 0.00 60.65 57.49 2kh2 s ILE 56 Cb -0.16 -2.04 0.03 0.00 -1.58 0.00 0.00 42.46 38.71 2kh2 s ILE 56 CO 0.11 0.52 1.20 -2.16 -1.23 0.00 0.00 174.94 173.37 2kh2 s PRO 57 N 1.06 3.64 0.12 2.79 0.04 -1.26 -0.17 135.00 141.22 2kh2 s PRO 57 Ca -0.01 0.53 0.06 0.00 0.04 0.00 0.00 61.00 61.62 2kh2 s PRO 57 Cb -0.14 -3.96 -0.04 0.00 0.04 0.00 0.00 34.50 30.40 2kh2 s PRO 57 CO -0.05 -1.50 -0.14 0.14 0.04 0.00 0.00 177.00 175.49 2kh2 s VAL 58 N 4.77 1.29 0.07 -0.36 -7.23 0.44 -2.55 120.40 116.83 2kh2 s VAL 58 Ca 0.49 -1.67 0.01 0.00 -1.81 0.00 0.00 61.98 58.99 2kh2 s VAL 58 Cb -0.08 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 2kh2 s VAL 58 CO 0.30 -0.40 0.19 0.00 -0.31 0.00 0.00 175.10 174.87 2kh2 s ALA 59 N -2.07 3.91 -0.31 1.32 0.00 0.73 -0.37 121.76 124.98 2kh2 s ALA 59 Ca 0.08 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.18 2kh2 s ALA 59 Cb -0.05 -1.74 0.09 0.00 0.00 0.00 0.00 23.12 21.41 2kh2 s ALA 59 CO 0.03 0.80 0.01 -0.51 0.00 0.00 0.00 175.76 176.09 2kh2 s LEU 60 N -2.52 4.13 0.08 0.00 1.43 -1.25 -2.95 118.68 117.60 2kh2 s LEU 60 Ca 0.34 -1.88 0.05 0.00 -1.03 0.00 0.00 54.13 51.60 2kh2 s LEU 60 Cb -0.13 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 2kh2 s LEU 60 CO 0.27 -0.33 -0.13 -0.83 0.23 0.00 0.00 176.35 175.56 2kh2 s GLY 61 N 1.03 0.87 0.33 -3.19 0.00 -1.24 -0.47 107.32 104.65 2kh2 s GLY 61 Ca 0.05 -1.05 -0.28 0.00 0.00 0.00 0.00 44.72 43.43 2kh2 s GLY 61 CO -0.09 -1.09 1.23 1.08 0.00 0.00 0.00 173.10 174.24 2kh2 s LEU 62 N -1.93 4.43 0.12 0.66 1.02 -0.36 -0.80 118.68 121.82 2kh2 s LEU 62 Ca 0.00 2.54 -0.33 0.00 0.02 0.00 0.00 54.13 56.36 2kh2 s LEU 62 Cb -0.08 -3.69 -0.12 0.00 0.02 0.00 0.00 46.19 42.31 2kh2 s LEU 62 CO 0.02 -0.45 1.72 1.17 0.02 0.00 0.00 176.35 178.83 2kh2 n LYS 63 N 0.81 2.44 -3.35 1.70 4.81 -0.33 -2.22 118.16 122.02 2kh2 n LYS 63 Ca 0.00 0.88 -0.24 0.00 -0.87 0.00 0.00 58.31 58.09 2kh2 n LYS 63 Cb 0.43 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.77 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 4.59 -3.70 -4.14 1.64 0.28 -1.26 -4.96 120.64 113.10 2kh2 n GLU 64 Ca 0.18 0.54 -0.11 0.00 -0.16 0.00 0.00 57.16 57.61 2kh2 n GLU 64 Cb 0.32 -5.28 -0.10 0.00 1.43 0.00 0.00 31.44 27.81 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2kh2 s LYS 65 N -6.01 0.74 -0.04 3.44 1.02 -0.94 -5.03 119.74 112.92 2kh2 s LYS 65 Ca 0.40 -1.19 0.12 0.00 0.02 0.00 0.00 55.97 55.32 2kh2 s LYS 65 Cb -0.21 -0.19 0.43 0.00 -0.52 0.00 0.00 37.83 37.34 2kh2 s LYS 65 CO 0.50 -0.01 1.31 0.27 -0.92 0.00 0.00 175.35 176.50 2kh2 n ASN 66 N 0.31 2.85 -4.56 2.83 0.23 -1.26 -4.58 115.26 111.08 2kh2 n ASN 66 Ca -0.15 -2.17 -0.40 0.00 -0.53 0.00 0.00 54.58 51.33 2kh2 n ASN 66 Cb 0.59 -0.40 -0.10 0.00 -2.08 0.00 0.00 39.78 37.80 2kh2 n ASN 66 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2kh2 s LEU 67 N -1.20 4.30 0.09 -4.53 1.43 -1.26 -1.51 118.68 115.99 2kh2 s LEU 67 Ca 0.31 -0.10 0.09 0.00 -1.03 0.00 0.00 54.13 53.40 2kh2 s LEU 67 Cb 0.19 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 2kh2 s LEU 67 CO 0.17 -0.26 -0.22 -0.31 0.23 0.00 0.00 176.35 175.96 2kh2 s TYR 68 N 1.98 1.93 -0.11 0.29 1.51 -0.40 -1.23 117.35 121.32 2kh2 s TYR 68 Ca 0.12 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.48 2kh2 s TYR 68 Cb -0.16 -1.09 -0.04 0.00 -0.11 0.00 0.00 41.96 40.56 2kh2 s TYR 68 CO 0.11 0.19 1.47 -0.51 -1.11 0.00 0.00 175.55 175.70 2kh2 s LEU 69 N -1.69 4.25 -0.07 -1.29 1.43 0.38 -0.16 118.68 121.54 2kh2 s LEU 69 Ca 0.08 1.97 0.05 0.00 -1.03 0.00 0.00 54.13 55.20 2kh2 s LEU 69 Cb -0.10 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 2kh2 s LEU 69 CO 0.04 -0.85 -0.21 -0.55 0.23 0.00 0.00 176.35 175.01 2kh2 s SER 70 N 2.71 3.44 -0.42 2.29 0.15 0.21 -4.42 113.70 117.67 2kh2 s SER 70 Ca 0.64 -0.41 -0.16 0.00 0.70 0.00 0.00 55.95 56.73 2kh2 s SER 70 Cb -0.28 -0.97 0.02 0.00 -1.71 0.00 0.00 66.02 63.09 2kh2 s SER 70 CO 0.22 0.25 0.35 0.00 1.20 0.00 0.00 173.24 175.27 2kh2 s VAL 72 N 1.82 1.59 -0.25 0.00 -7.23 -0.49 -4.77 120.40 111.06 2kh2 s VAL 72 Ca 0.07 -2.17 -0.09 0.00 -1.81 0.00 0.00 61.98 57.98 2kh2 s VAL 72 Cb -0.19 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 2kh2 s VAL 72 CO 0.11 -0.63 0.13 -0.76 -0.31 0.00 0.00 175.10 173.64 2kh2 s LEU 73 N -3.28 3.80 -0.09 1.32 1.43 -1.26 0.40 118.68 121.00 2kh2 s LEU 73 Ca 0.21 -0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.25 2kh2 s LEU 73 Cb 0.00 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.22 2kh2 s LEU 73 CO 0.05 -0.00 -0.04 -0.54 0.23 0.00 0.00 176.35 176.05 2kh2 s LYS 74 N 1.46 1.01 -1.11 1.70 1.02 -0.22 -4.81 119.74 118.80 2kh2 s LYS 74 Ca 0.06 -0.06 -0.01 0.00 0.02 0.00 0.00 55.97 55.98 2kh2 s LYS 74 Cb -0.15 -1.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.95 2kh2 s LYS 74 CO 0.06 -0.26 0.93 -3.47 -0.92 0.00 0.00 175.35 171.69 2kh2 n ASP 75 N 4.94 -2.55 -1.54 2.83 4.64 -1.26 -2.47 116.55 121.14 2kh2 n ASP 75 Ca -0.11 -0.55 -0.20 0.00 -1.38 0.00 0.00 54.79 52.55 2kh2 n ASP 75 Cb 0.50 -4.70 -0.09 0.00 -1.04 0.00 0.00 41.12 35.80 2kh2 n ASP 75 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2kh2 n ASP 76 N -2.89 -5.49 -3.83 1.67 10.43 -1.26 -4.97 116.55 110.20 2kh2 n ASP 76 Ca -0.23 0.50 -0.18 0.00 2.57 0.00 0.00 54.79 57.45 2kh2 n ASP 76 Cb 0.64 -4.76 -0.16 0.00 1.84 0.00 0.00 41.12 38.68 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 2kh2 s LYS 77 N -3.70 0.44 0.01 -1.24 2.47 -1.03 -5.12 119.74 111.57 2kh2 s LYS 77 Ca 0.00 0.04 -0.30 0.00 -1.56 0.00 0.00 55.97 54.14 2kh2 s LYS 77 Cb 0.00 -0.59 -0.07 0.00 -1.46 0.00 0.00 37.83 35.71 2kh2 s LYS 77 CO 0.00 -0.13 1.60 -1.25 0.16 0.00 0.00 175.35 175.73 2kh2 s PRO 78 N 1.05 4.21 0.07 4.03 0.04 -1.26 -1.05 135.00 142.09 2kh2 s PRO 78 Ca -0.09 2.20 0.06 0.00 0.04 0.00 0.00 61.00 63.21 2kh2 s PRO 78 Cb -0.14 -3.73 -0.03 0.00 0.04 0.00 0.00 34.50 30.65 2kh2 s PRO 78 CO -0.01 -0.74 -0.16 0.99 0.04 0.00 0.00 177.00 177.12 2kh2 s THR 79 N 3.07 1.28 0.07 1.26 2.01 0.16 -4.62 115.64 118.88 2kh2 s THR 79 Ca 0.71 -1.33 -0.01 0.00 0.31 0.00 0.00 61.69 61.38 2kh2 s THR 79 Cb -0.36 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 2kh2 s THR 79 CO 0.30 -0.14 0.24 -0.22 -0.69 0.00 0.00 174.62 174.11 2kh2 s LEU 80 N -1.69 4.34 0.31 4.42 2.96 -1.26 -1.40 118.68 126.36 2kh2 s LEU 80 Ca 0.01 0.34 -0.18 0.00 -0.22 0.00 0.00 54.13 54.08 2kh2 s LEU 80 Cb -0.10 -3.00 0.06 0.00 0.50 0.00 0.00 46.19 43.65 2kh2 s LEU 80 CO 0.03 0.16 0.86 0.00 -1.32 0.00 0.00 176.35 176.07 2kh2 s GLN 81 N -2.48 1.90 -0.34 1.98 -2.07 -0.78 -4.93 119.66 112.94 2kh2 s GLN 81 Ca 0.35 -1.20 -0.10 0.00 -1.82 0.00 0.00 55.36 52.59 2kh2 s GLN 81 Cb -0.13 0.54 0.01 0.00 -1.09 0.00 0.00 33.01 32.35 2kh2 s GLN 81 CO 0.26 -0.89 0.17 -0.51 -1.32 0.00 0.00 175.29 173.00 2kh2 s LEU 82 N -3.14 4.33 -0.11 2.60 2.01 -1.25 -0.62 118.68 122.50 2kh2 s LEU 82 Ca 0.17 -0.75 -0.06 0.00 0.01 0.00 0.00 54.13 53.50 2kh2 s LEU 82 Cb -0.04 -1.99 -0.04 0.00 0.01 0.00 0.00 46.19 44.12 2kh2 s LEU 82 CO 0.09 -0.27 0.11 -0.70 1.01 0.00 0.00 176.35 176.58 2kh2 s GLU 83 N 1.57 3.35 -0.26 1.70 2.12 0.78 -4.86 118.70 123.10 2kh2 s GLU 83 Ca 0.03 -0.20 -0.21 0.00 0.36 0.00 0.00 54.97 54.95 2kh2 s GLU 83 Cb -0.18 -3.10 -0.01 0.00 0.26 0.00 0.00 34.13 31.10 2kh2 s GLU 83 CO 0.06 0.74 0.67 -1.12 -0.54 0.00 0.00 175.26 175.07 2kh2 s SER 84 N -0.95 6.61 0.29 -1.70 0.01 -1.26 -1.28 113.70 115.43 2kh2 s SER 84 Ca 0.14 0.73 0.10 0.00 1.31 0.00 0.00 55.95 58.24 2kh2 s SER 84 Cb -0.12 -2.36 -0.05 0.00 0.21 0.00 0.00 66.02 63.71 2kh2 s SER 84 CO 0.03 -0.42 -0.09 0.68 0.41 0.00 0.00 173.24 173.85 2kh2 s VAL 85 N 2.59 2.81 -0.21 3.43 -7.23 -0.57 -5.03 120.40 116.20 2kh2 s VAL 85 Ca 0.28 -2.15 -0.35 0.00 -1.81 0.00 0.00 61.98 57.94 2kh2 s VAL 85 Cb -0.15 -2.59 -0.12 0.00 0.56 0.00 0.00 36.38 34.08 2kh2 s VAL 85 CO 0.09 -0.34 1.99 -0.67 -0.31 0.00 0.00 175.10 175.85 2kh2 n ASP 86 N -0.78 2.88 0.31 4.85 4.64 -1.26 -4.83 116.55 122.35 2kh2 n ASP 86 Ca -0.05 0.75 0.19 0.00 -1.38 0.00 0.00 54.79 54.30 2kh2 n ASP 86 Cb 0.60 -1.32 0.97 0.00 -1.04 0.00 0.00 41.12 40.34 2kh2 n ASP 86 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 2kh2 h PRO 87 N 10.41 0.00 0.00 -0.67 0.11 -1.93 -1.38 132.00 138.54 2kh2 h PRO 87 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2kh2 h PRO 87 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2kh2 h PRO 87 CO 0.97 0.02 -1.04 0.36 -0.21 0.00 0.00 178.00 178.11 2kh2 n LYS 88 N -3.26 1.26 -0.00 1.05 2.85 -1.26 -4.33 118.16 114.47 2kh2 n LYS 88 Ca -0.02 -0.04 0.09 0.00 -1.05 0.00 0.00 58.31 57.29 2kh2 n LYS 88 Cb 0.16 -1.32 0.08 0.00 -0.65 0.00 0.00 35.03 33.30 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 -1.57 2.55 -4.05 -5.58 3.02 -0.95 -4.95 115.26 103.72 2kh2 n ASN 89 Ca 0.02 -1.77 -0.15 0.00 -0.03 0.00 0.00 54.58 52.64 2kh2 n ASN 89 Cb 0.31 -0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.35 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 -1.53 0.75 0.64 3.10 1.51 -0.56 -4.51 117.35 116.75 2kh2 s TYR 90 Ca 0.22 -0.35 -0.09 0.00 -1.01 0.00 0.00 57.07 55.83 2kh2 s TYR 90 Cb 0.15 -0.46 0.14 0.00 -0.11 0.00 0.00 41.96 41.69 2kh2 s TYR 90 CO 0.23 -0.03 0.87 -0.35 -1.11 0.00 0.00 175.55 175.16 2kh2 n PRO 91 N 1.96 -0.67 -3.95 -1.71 -0.04 -1.26 -4.77 135.00 124.56 2kh2 n PRO 91 Ca -0.19 -1.53 -0.09 0.00 -0.04 0.00 0.00 63.50 61.64 2kh2 n PRO 91 Cb 0.56 -0.84 -0.06 0.00 -0.04 0.00 0.00 33.50 33.12 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 -4.85 1.42 0.02 0.54 -2.85 -1.26 -5.07 119.74 107.69 2kh2 s LYS 92 Ca 0.51 -1.18 -0.25 0.00 -1.00 0.00 0.00 55.97 54.05 2kh2 s LYS 92 Cb -0.02 0.45 -0.17 0.00 -2.06 0.00 0.00 37.83 36.03 2kh2 s LYS 92 CO 0.35 -0.58 1.39 -0.22 0.10 0.00 0.00 175.35 176.40 2kh2 h LYS 93 N 2.32 -0.22 -3.90 1.78 1.63 -1.93 -3.37 116.57 112.88 2kh2 h LYS 93 Ca -0.28 0.02 -0.77 0.00 -0.85 0.00 0.00 60.65 58.76 2kh2 h LYS 93 Cb 1.25 0.05 -0.27 0.00 -0.60 0.00 0.00 32.23 32.66 2kh2 h LYS 93 CO 0.39 0.06 -0.04 0.21 -3.45 0.00 0.00 179.45 176.62 2kh2 s LYS 94 N -5.01 3.31 0.82 1.90 2.47 -1.26 -1.40 119.74 120.56 2kh2 s LYS 94 Ca -0.15 -2.26 -0.08 0.00 -1.56 0.00 0.00 55.97 51.93 2kh2 s LYS 94 Cb 0.03 -4.31 0.15 0.00 -1.46 0.00 0.00 37.83 32.23 2kh2 s LYS 94 CO 0.61 -1.28 1.13 -1.64 0.16 0.00 0.00 175.35 174.33 2kh2 s MET 95 N 0.54 1.33 0.42 4.03 -1.94 -1.26 -5.01 119.30 117.41 2kh2 s MET 95 Ca 0.14 -0.68 -0.22 0.00 -1.71 0.00 0.00 55.69 53.21 2kh2 s MET 95 Cb -0.16 -2.10 -0.10 0.00 2.01 0.00 0.00 34.83 34.47 2kh2 s MET 95 CO -0.05 -1.82 0.99 -1.21 -0.01 0.00 0.00 175.02 172.93 2kh2 s GLU 96 N -5.47 4.16 0.60 2.03 8.01 -1.26 -4.94 118.70 121.82 2kh2 s GLU 96 Ca 0.68 1.30 0.30 0.00 0.01 0.00 0.00 54.97 57.27 2kh2 s GLU 96 Cb -0.06 -2.33 1.78 0.00 -4.31 0.00 0.00 34.13 29.21 2kh2 s GLU 96 CO 0.48 -0.11 2.18 -0.22 0.01 0.00 0.00 175.26 177.60 2kh2 h LYS 97 N 2.14 0.00 0.00 1.61 3.64 -1.97 0.24 116.57 122.23 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 0.61 0.00 0.00 2.89 -2.27 0.00 0.00 179.45 180.68 2kh2 n ARG 98 N -3.76 0.15 -0.07 1.90 1.85 -1.26 -2.45 116.66 113.02 2kh2 n ARG 98 Ca -0.01 0.29 0.05 0.00 -1.00 0.00 0.00 57.85 57.18 2kh2 n ARG 98 Cb 0.20 -1.74 0.08 0.00 -1.05 0.00 0.00 32.46 29.96 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 -2.01 0.17 -3.36 2.89 3.72 0.06 -1.08 117.46 117.85 2kh2 n PHE 99 Ca 0.04 -0.20 -0.40 0.00 -0.05 0.00 0.00 57.45 56.84 2kh2 n PHE 99 Cb 0.28 -0.01 -0.09 0.00 -0.94 0.00 0.00 39.48 38.72 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 -0.93 5.14 0.06 -4.37 1.01 -1.02 -3.97 120.40 116.32 2kh2 s VAL 100 Ca 0.16 0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.55 2kh2 s VAL 100 Cb 0.10 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2kh2 s VAL 100 CO 0.14 -0.00 -0.11 -0.36 0.00 0.00 0.00 175.10 174.77 2kh2 s PHE 101 N 2.12 2.74 -0.45 5.22 0.40 0.50 -2.19 117.98 126.33 2kh2 s PHE 101 Ca 0.15 -0.15 -0.12 0.00 -0.60 0.00 0.00 56.93 56.21 2kh2 s PHE 101 Cb -0.16 -1.49 0.08 0.00 0.51 0.00 0.00 43.02 41.96 2kh2 s PHE 101 CO 0.11 0.38 0.32 -0.80 0.70 0.00 0.00 175.22 175.93 2kh2 s ASN 102 N -1.84 5.84 -0.70 1.36 0.02 0.27 -0.42 114.94 119.48 2kh2 s ASN 102 Ca 0.19 -1.47 -0.26 0.00 -1.02 0.00 0.00 52.86 50.29 2kh2 s ASN 102 Cb -0.11 -2.07 0.04 0.00 0.02 0.00 0.00 41.25 39.13 2kh2 s ASN 102 CO 0.10 -0.60 1.19 -0.75 0.02 0.00 0.00 177.10 177.07 2kh2 s LYS 103 N 1.51 3.21 0.11 -0.60 2.20 0.76 -1.08 119.74 125.85 2kh2 s LYS 103 Ca 0.04 -0.31 0.03 0.00 -0.36 0.00 0.00 55.97 55.37 2kh2 s LYS 103 Cb -0.24 -4.17 -0.04 0.00 -1.51 0.00 0.00 37.83 31.88 2kh2 s LYS 103 CO 0.04 -2.00 0.12 0.42 -0.36 0.00 0.00 175.35 173.57 2kh2 s ILE 104 N 5.23 4.63 -0.29 5.43 1.01 -0.06 -2.04 121.20 135.12 2kh2 s ILE 104 Ca 0.33 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2kh2 s ILE 104 Cb -0.10 -3.29 0.14 0.00 0.01 0.00 0.00 42.46 39.22 2kh2 s ILE 104 CO 0.15 0.04 0.33 -1.83 0.00 0.00 0.00 174.94 173.63 2kh2 s GLU 105 N -2.68 0.35 0.11 2.79 -1.05 -1.24 0.24 118.70 117.22 2kh2 s GLU 105 Ca 0.31 -0.03 -0.08 0.00 -0.15 0.00 0.00 54.97 55.02 2kh2 s GLU 105 Cb -0.11 -0.55 -0.13 0.00 -0.44 0.00 0.00 34.13 32.89 2kh2 s GLU 105 CO 0.23 -1.01 1.28 0.82 0.95 0.00 0.00 175.26 177.53 2kh2 h ILE 106 N 6.23 1.34 0.00 1.83 5.03 -1.94 -3.47 117.51 126.53 2kh2 h ILE 106 Ca -0.12 -2.30 0.00 0.00 -0.12 0.00 0.00 64.86 62.32 2kh2 h ILE 106 Cb 1.09 2.33 0.00 0.00 -3.03 0.00 0.00 36.82 37.21 2kh2 h ILE 106 CO 0.31 0.70 0.00 -0.46 -0.68 0.00 0.00 178.15 178.02 2kh2 n ASN 107 N -3.81 0.00 -0.47 1.72 0.23 -1.26 -5.01 115.26 106.66 2kh2 n ASN 107 Ca -0.08 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.03 2kh2 n ASN 107 Cb 0.83 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.58 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 1.95 -4.59 0.53 6.94 -1.26 -4.95 115.26 113.87 2kh2 n ASN 108 Ca 0.00 -1.47 -0.32 0.00 -0.02 0.00 0.00 54.58 52.76 2kh2 n ASN 108 Cb 0.00 0.09 -0.10 0.00 -2.36 0.00 0.00 39.78 37.40 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2kh2 s LYS 109 N -1.16 2.57 -0.10 -3.83 -0.14 -1.26 -4.95 119.74 110.87 2kh2 s LYS 109 Ca 0.14 -0.70 -0.00 0.00 -1.36 0.00 0.00 55.97 54.05 2kh2 s LYS 109 Cb 0.11 -2.51 -0.03 0.00 -1.68 0.00 0.00 37.83 33.72 2kh2 s LYS 109 CO 0.19 0.61 -0.07 -0.48 -0.76 0.00 0.00 175.35 174.84 2kh2 s LEU 110 N -1.35 3.13 0.08 3.17 2.34 -0.23 -3.99 118.68 121.83 2kh2 s LEU 110 Ca 0.17 -0.09 0.06 0.00 0.06 0.00 0.00 54.13 54.33 2kh2 s LEU 110 Cb -0.11 -1.70 -0.04 0.00 -0.56 0.00 0.00 46.19 43.78 2kh2 s LEU 110 CO 0.07 0.29 -0.07 -1.61 -1.06 0.00 0.00 176.35 173.97 2kh2 s GLU 111 N -0.37 2.30 -0.36 1.48 2.02 0.14 0.20 118.70 124.10 2kh2 s GLU 111 Ca 0.05 -0.93 -0.04 0.00 0.02 0.00 0.00 54.97 54.08 2kh2 s GLU 111 Cb -0.12 -2.39 0.08 0.00 0.10 0.00 0.00 34.13 31.79 2kh2 s GLU 111 CO 0.02 0.53 0.12 -0.06 0.02 0.00 0.00 175.26 175.90 2kh2 s PHE 112 N -1.20 3.40 0.04 1.61 0.08 -1.26 -0.88 117.98 119.78 2kh2 s PHE 112 Ca 0.22 -2.00 -0.07 0.00 0.12 0.00 0.00 56.93 55.20 2kh2 s PHE 112 Cb -0.11 -2.67 -0.05 0.00 -0.57 0.00 0.00 43.02 39.61 2kh2 s PHE 112 CO 0.14 -0.87 0.31 -2.00 -0.10 0.00 0.00 175.22 172.70 2kh2 s GLU 113 N 1.25 3.63 -0.06 0.44 2.12 -0.24 -1.01 118.70 124.82 2kh2 s GLU 113 Ca 0.02 -0.02 -0.28 0.00 0.36 0.00 0.00 54.97 55.04 2kh2 s GLU 113 Cb -0.21 -3.04 -0.02 0.00 0.26 0.00 0.00 34.13 31.12 2kh2 s GLU 113 CO -0.01 0.61 0.93 0.45 -0.54 0.00 0.00 175.26 176.69 2kh2 s SER 114 N -1.81 7.22 0.22 -1.70 0.15 0.09 0.96 113.70 118.84 2kh2 s SER 114 Ca 0.30 1.49 -0.04 0.00 0.70 0.00 0.00 55.95 58.40 2kh2 s SER 114 Cb -0.13 -2.53 0.21 0.00 -1.71 0.00 0.00 66.02 61.86 2kh2 s SER 114 CO 0.18 -0.31 1.65 0.00 1.20 0.00 0.00 173.24 175.96 2kh2 h ALA 115 N 6.95 0.92 -0.32 5.45 0.00 -1.70 -2.81 119.26 127.75 2kh2 h ALA 115 Ca -0.37 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.10 2kh2 h ALA 115 Cb 1.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2kh2 h ALA 115 CO 0.79 0.62 -0.21 0.37 0.00 0.00 0.00 179.25 180.83 2kh2 h GLN 116 N 0.69 0.60 -3.22 0.00 5.75 -1.78 -3.37 115.11 113.78 2kh2 h GLN 116 Ca 0.10 -0.22 -0.62 0.00 -0.15 0.00 0.00 58.65 57.76 2kh2 h GLN 116 Cb 0.68 -0.04 -0.40 0.00 1.07 0.00 0.00 27.48 28.78 2kh2 h GLN 116 CO 0.05 0.77 -0.69 -0.06 -2.65 0.00 0.00 178.83 176.25 2kh2 s PHE 117 N -4.60 2.56 0.49 3.99 0.08 -1.07 -5.11 117.98 114.32 2kh2 s PHE 117 Ca -0.08 -2.76 -0.24 0.00 0.12 0.00 0.00 56.93 53.97 2kh2 s PHE 117 Cb 0.14 -2.33 -0.07 0.00 -0.57 0.00 0.00 43.02 40.19 2kh2 s PHE 117 CO 0.80 -0.77 1.36 -2.30 -0.10 0.00 0.00 175.22 174.22 2kh2 n PRO 118 N 3.39 1.94 -0.84 0.24 -0.02 -1.18 -2.17 135.00 136.35 2kh2 n PRO 118 Ca 0.07 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2kh2 n PRO 118 Cb 0.34 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2kh2 n PRO 118 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2kh2 n ASN 119 N -0.45 0.00 -4.33 2.55 4.05 -1.26 -4.98 115.26 110.84 2kh2 n ASN 119 Ca 0.08 0.00 -0.40 0.00 0.45 0.00 0.00 54.58 54.71 2kh2 n ASN 119 Cb 0.42 -0.33 -0.11 0.00 1.23 0.00 0.00 39.78 40.99 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 -3.50 3.27 0.21 1.20 0.52 -0.92 -4.50 118.94 115.22 2kh2 s TRP 120 Ca 0.00 -1.21 0.07 0.00 0.02 0.00 0.00 56.10 54.98 2kh2 s TRP 120 Cb 0.00 -2.59 -0.04 0.00 -1.15 0.00 0.00 33.47 29.69 2kh2 s TRP 120 CO 0.00 -0.73 0.06 0.71 0.02 0.00 0.00 176.95 177.02 2kh2 s TYR 121 N 1.49 2.92 -0.04 -1.98 1.51 -0.36 -0.73 117.35 120.17 2kh2 s TYR 121 Ca 0.02 -0.13 -0.30 0.00 -1.01 0.00 0.00 57.07 55.65 2kh2 s TYR 121 Cb -0.21 -1.37 -0.06 0.00 -0.11 0.00 0.00 41.96 40.22 2kh2 s TYR 121 CO 0.05 0.54 1.71 0.42 -1.11 0.00 0.00 175.55 177.15 2kh2 s ILE 122 N -1.94 3.49 0.23 2.71 1.01 -0.18 -0.53 121.20 125.98 2kh2 s ILE 122 Ca 0.30 0.59 0.11 0.00 0.00 0.00 0.00 60.65 61.65 2kh2 s ILE 122 Cb -0.09 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 2kh2 s ILE 122 CO 0.21 -0.05 -0.20 -0.44 0.00 0.00 0.00 174.94 174.45 2kh2 s SER 123 N 3.53 3.28 -0.01 3.58 0.01 0.64 -4.27 113.70 120.46 2kh2 s SER 123 Ca 0.76 -0.96 -0.03 0.00 1.31 0.00 0.00 55.95 57.03 2kh2 s SER 123 Cb -0.35 -0.24 -0.00 0.00 0.21 0.00 0.00 66.02 65.64 2kh2 s SER 123 CO 0.31 0.03 0.06 0.42 0.41 0.00 0.00 173.24 174.47 2kh2 s THR 124 N -2.25 0.04 0.76 1.44 -4.23 -0.73 -2.20 115.64 108.48 2kh2 s THR 124 Ca 0.24 -0.36 -0.12 0.00 -1.18 0.00 0.00 61.69 60.28 2kh2 s THR 124 Cb -0.05 -0.21 0.05 0.00 1.34 0.00 0.00 72.50 73.62 2kh2 s THR 124 CO 0.11 -0.20 1.14 -0.44 -0.54 0.00 0.00 174.62 174.69 2kh2 s SER 125 N -0.61 4.89 0.18 3.99 0.01 -1.26 0.12 113.70 121.02 2kh2 s SER 125 Ca -0.07 0.90 0.03 0.00 1.31 0.00 0.00 55.95 58.12 2kh2 s SER 125 Cb -0.04 -1.52 0.06 0.00 0.21 0.00 0.00 66.02 64.73 2kh2 s SER 125 CO 0.00 -1.67 1.42 1.56 0.41 0.00 0.00 173.24 174.96 2kh2 h GLN 126 N -0.88 0.20 -6.85 12.44 1.08 -1.98 -3.46 115.11 115.66 2kh2 h GLN 126 Ca -0.46 -0.19 -0.56 0.00 -1.45 0.00 0.00 58.65 55.99 2kh2 h GLN 126 Cb 1.30 0.05 0.12 0.00 -0.05 0.00 0.00 27.48 28.90 2kh2 h GLN 126 CO 0.65 0.90 0.58 0.00 -0.95 0.00 0.00 178.83 180.01 2kh2 n ALA 127 N -2.46 1.63 -1.77 3.87 0.00 -1.26 -4.95 120.51 115.57 2kh2 n ALA 127 Ca -0.03 0.30 -0.39 0.00 0.00 0.00 0.00 53.44 53.32 2kh2 n ALA 127 Cb 0.76 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.87 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 -2.15 4.21 -0.97 0.00 2.56 -1.26 -3.61 118.70 117.48 2kh2 s GLU 128 Ca 0.58 1.90 -0.05 0.00 0.00 0.00 0.00 54.97 57.40 2kh2 s GLU 128 Cb -0.51 -2.84 0.01 0.00 2.00 0.00 0.00 34.13 32.79 2kh2 s GLU 128 CO 0.60 -0.20 0.63 -1.71 -0.56 0.00 0.00 175.26 174.02 2kh2 n ASN 129 N 0.40 -4.82 -4.91 -1.70 5.15 -1.24 -5.02 115.26 103.11 2kh2 n ASN 129 Ca 0.03 -0.29 -0.32 0.00 -0.60 0.00 0.00 54.58 53.40 2kh2 n ASN 129 Cb 0.45 -3.53 -0.04 0.00 -0.53 0.00 0.00 39.78 36.13 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 -5.64 3.45 0.99 1.20 -1.94 -1.21 -4.91 119.30 111.24 2kh2 s MET 130 Ca 0.31 -0.37 -0.15 0.00 -1.71 0.00 0.00 55.69 53.77 2kh2 s MET 130 Cb -0.14 -3.05 0.19 0.00 2.01 0.00 0.00 34.83 33.84 2kh2 s MET 130 CO 0.39 0.63 1.21 -1.25 -0.01 0.00 0.00 175.02 175.98 2kh2 s PRO 131 N -2.29 0.50 -0.09 2.03 0.04 -1.26 -0.23 135.00 133.69 2kh2 s PRO 131 Ca 0.32 -0.08 -0.05 0.00 0.04 0.00 0.00 61.00 61.23 2kh2 s PRO 131 Cb -0.13 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2kh2 s PRO 131 CO 0.24 -2.56 0.09 0.08 0.04 0.00 0.00 177.00 174.90 2kh2 s VAL 132 N -3.49 5.05 0.36 -0.36 1.01 -0.85 -4.52 120.40 117.61 2kh2 s VAL 132 Ca 0.69 -0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.61 2kh2 s VAL 132 Cb -0.09 -3.19 0.03 0.00 0.00 0.00 0.00 36.38 33.12 2kh2 s VAL 132 CO 0.53 0.58 0.58 2.22 0.00 0.00 0.00 175.10 179.01 2kh2 n PHE 133 N 1.93 -1.74 -3.57 5.22 1.16 -0.94 -4.86 117.46 114.66 2kh2 n PHE 133 Ca -0.19 -2.14 -0.37 0.00 -1.87 0.00 0.00 57.45 52.89 2kh2 n PHE 133 Cb 0.54 0.67 -0.09 0.00 -1.61 0.00 0.00 39.48 38.99 2kh2 n PHE 133 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2kh2 s LEU 134 N 0.00 4.15 0.09 5.98 2.96 -1.26 -0.26 118.68 130.34 2kh2 s LEU 134 Ca 0.24 0.28 0.10 0.00 -0.22 0.00 0.00 54.13 54.52 2kh2 s LEU 134 Cb -0.02 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 2kh2 s LEU 134 CO 0.17 0.04 -0.25 -0.83 -1.32 0.00 0.00 176.35 174.16 2kh2 s GLY 135 N 0.93 1.42 0.00 7.98 0.00 0.31 -4.85 107.32 113.11 2kh2 s GLY 135 Ca 0.12 -1.33 0.17 0.00 0.00 0.00 0.00 44.72 43.67 2kh2 s GLY 135 CO 0.05 -1.29 0.72 0.61 0.00 0.00 0.00 173.10 173.19 2kh2 n GLY 136 N 1.26 -0.55 2.97 0.20 0.00 -1.26 -1.22 105.19 106.59 2kh2 n GLY 136 Ca -0.18 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 2kh2 n GLY 136 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kh2 n THR 137 N -1.33 3.98 -2.03 2.61 -1.04 -1.26 -4.90 114.28 110.30 2kh2 n THR 137 Ca 0.03 -3.92 -0.41 0.00 -2.04 0.00 0.00 64.05 57.71 2kh2 n THR 137 Cb 0.26 -2.46 -0.03 0.00 -1.82 0.00 0.00 70.33 66.29 2kh2 n THR 137 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kh2 s LYS 138 N 1.96 3.04 0.00 -2.82 2.20 -1.26 -1.74 119.74 121.11 2kh2 s LYS 138 Ca 0.44 1.07 0.00 0.00 -0.36 0.00 0.00 55.97 57.12 2kh2 s LYS 138 Cb 0.09 -4.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.14 2kh2 s LYS 138 CO -0.02 -2.22 0.00 0.41 -0.36 0.00 0.00 175.35 173.16 2kh2 n GLY 139 N 5.52 1.00 0.00 5.54 0.00 -1.26 -5.08 105.19 110.90 2kh2 n GLY 139 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.01 0.56 0.14 -0.02 0.00 -0.71 -5.01 105.19 98.14 2kh2 n GLY 140 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2kh2 n GLY 140 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kh2 h GLN 141 N 0.00 0.29 -6.94 1.61 7.50 -1.98 -3.47 115.11 112.12 2kh2 h GLN 141 Ca 0.00 -0.50 -0.48 0.00 0.50 0.00 0.00 58.65 58.17 2kh2 h GLN 141 Cb 0.00 0.19 0.01 0.00 0.05 0.00 0.00 27.48 27.73 2kh2 h GLN 141 CO 0.00 1.24 0.41 -0.51 -1.50 0.00 0.00 178.83 178.47 2kh2 s ASP 142 N -7.12 6.86 -0.04 1.46 1.01 -1.26 -4.48 116.67 113.10 2kh2 s ASP 142 Ca -0.20 2.04 -0.26 0.00 0.71 0.00 0.00 52.55 54.83 2kh2 s ASP 142 Cb 0.06 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 2kh2 s ASP 142 CO 0.79 -0.42 0.83 -0.63 0.21 0.00 0.00 175.17 175.95 2kh2 s ILE 143 N -1.61 4.97 -0.12 0.77 1.09 0.12 -4.56 121.20 121.85 2kh2 s ILE 143 Ca 0.56 1.73 0.08 0.00 -1.10 0.00 0.00 60.65 61.91 2kh2 s ILE 143 Cb -0.22 -4.17 -0.11 0.00 -1.06 0.00 0.00 42.46 36.90 2kh2 s ILE 143 CO 0.28 0.21 0.22 0.35 -0.10 0.00 0.00 174.94 175.90 2kh2 n THR 144 N 3.83 0.00 -3.66 2.92 -2.24 -1.26 -1.77 114.28 112.11 2kh2 n THR 144 Ca 0.02 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.23 2kh2 n THR 144 Cb 0.51 0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 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 -2.53 6.57 0.13 3.42 -4.77 -1.26 -4.01 116.67 114.23 2kh2 s ASP 145 Ca -0.01 0.68 0.03 0.00 -3.30 0.00 0.00 52.55 49.95 2kh2 s ASP 145 Cb 0.05 -2.13 -0.01 0.00 -1.09 0.00 0.00 42.92 39.74 2kh2 s ASP 145 CO 0.32 0.19 0.11 0.49 0.70 0.00 0.00 175.17 176.98 2kh2 n PHE 146 N 0.91 -0.30 -4.70 2.11 3.72 0.13 -3.73 117.46 115.60 2kh2 n PHE 146 Ca -0.09 -1.11 -0.31 0.00 -0.05 0.00 0.00 57.45 55.89 2kh2 n PHE 146 Cb 0.52 0.11 -0.08 0.00 -0.94 0.00 0.00 39.48 39.09 2kh2 n PHE 146 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2kh2 s THR 147 N -2.52 1.14 -0.39 4.37 -4.23 -0.47 -1.06 115.64 112.48 2kh2 s THR 147 Ca 0.16 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.78 2kh2 s THR 147 Cb 0.01 -2.28 0.33 0.00 1.34 0.00 0.00 72.50 71.90 2kh2 s THR 147 CO 0.11 0.00 0.71 0.80 -0.54 0.00 0.00 174.62 175.70 2kh2 n MET 148 N -1.17 1.06 -1.90 3.99 1.56 -1.25 -4.17 117.12 115.25 2kh2 n MET 148 Ca -0.15 -3.44 -0.43 0.00 -0.27 0.00 0.00 57.70 53.40 2kh2 n MET 148 Cb 0.67 -1.67 -0.03 0.00 2.15 0.00 0.00 33.22 34.34 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 -2.31 3.36 0.08 2.12 1.11 -0.93 -4.80 119.66 118.28 2kh2 s GLN 149 Ca 0.40 1.65 -0.31 0.00 0.01 0.00 0.00 55.36 57.11 2kh2 s GLN 149 Cb 0.32 -4.22 -0.07 0.00 -1.01 0.00 0.00 33.01 28.03 2kh2 s GLN 149 CO -0.09 -1.83 1.34 -0.06 0.01 0.00 0.00 175.29 174.66 2kh2 s PHE 150 N 6.99 3.21 0.45 0.91 0.08 -1.26 -1.00 117.98 127.36 2kh2 s PHE 150 Ca 0.85 1.02 0.08 0.00 0.12 0.00 0.00 56.93 58.99 2kh2 s PHE 150 Cb -0.26 -3.61 0.01 0.00 -0.57 0.00 0.00 43.02 38.59 2kh2 s PHE 150 CO 0.34 -2.11 0.48 0.14 -0.10 0.00 0.00 175.22 173.97 2kh2 s VAL 151 N 1.37 2.59 -0.12 -0.44 -7.23 -1.03 -4.96 120.40 110.58 2kh2 s VAL 151 Ca 0.63 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 2kh2 s VAL 151 Cb -0.34 -2.82 0.14 0.00 0.56 0.00 0.00 36.38 33.93 2kh2 s VAL 151 CO 0.29 0.00 1.50 -1.54 -0.31 0.00 0.00 175.10 175.04 2kh2 n SER 152 N -1.73 4.16 0.00 4.85 3.41 -1.26 -4.83 113.62 118.21 2kh2 n SER 152 Ca 0.06 -2.50 0.00 0.00 -0.26 0.00 0.00 58.87 56.16 2kh2 n SER 152 Cb 0.61 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68