#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 0.60 -5.03 0.00 0.11 -2.06 -3.42 132.00 122.20 2kh2 h PRO 2 Ca 0.00 -0.37 -0.63 0.00 0.11 0.00 0.00 66.00 65.10 2kh2 h PRO 2 Cb 0.00 0.04 -0.18 0.00 0.11 0.00 0.00 31.00 30.97 2kh2 h PRO 2 CO 0.00 0.98 -0.56 0.54 -0.21 0.00 0.00 178.00 178.75 2kh2 s VAL 3 N -4.12 4.87 0.18 3.15 0.11 -1.26 -5.07 120.40 118.26 2kh2 s VAL 3 Ca -0.13 0.01 -0.23 0.00 -2.93 0.00 0.00 61.98 58.70 2kh2 s VAL 3 Cb 0.07 -3.27 -0.08 0.00 -1.53 0.00 0.00 36.38 31.57 2kh2 s VAL 3 CO 0.82 0.34 0.75 -0.13 -3.33 0.00 0.00 175.10 173.55 2kh2 s ARG 4 N 1.31 4.46 -0.01 1.54 0.52 -1.26 -5.01 118.95 120.49 2kh2 s ARG 4 Ca 0.06 1.06 -0.29 0.00 -0.52 0.00 0.00 55.73 56.03 2kh2 s ARG 4 Cb -0.15 -3.14 0.07 0.00 0.52 0.00 0.00 34.95 32.25 2kh2 s ARG 4 CO 0.05 0.52 0.68 -1.54 0.02 0.00 0.00 175.30 175.04 2kh2 s SER 5 N -1.29 -0.63 0.13 0.23 1.04 -1.26 -2.38 113.70 109.54 2kh2 s SER 5 Ca 0.38 0.56 -0.04 0.00 0.48 0.00 0.00 55.95 57.32 2kh2 s SER 5 Cb -0.21 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 2kh2 s SER 5 CO 0.24 -0.67 0.13 -1.48 0.98 0.00 0.00 173.24 172.44 2kh2 s LEU 6 N -1.50 1.56 0.04 2.42 0.05 -1.13 -4.99 118.68 115.14 2kh2 s LEU 6 Ca -0.08 -1.04 0.08 0.00 0.05 0.00 0.00 54.13 53.15 2kh2 s LEU 6 Cb -0.00 0.63 -0.03 0.00 -2.05 0.00 0.00 46.19 44.74 2kh2 s LEU 6 CO 0.05 -0.77 -0.23 0.20 -0.55 0.00 0.00 176.35 175.05 2kh2 s ASN 7 N -2.99 3.45 -0.01 1.48 0.01 -1.26 -0.99 114.94 114.63 2kh2 s ASN 7 Ca 0.19 -0.52 -0.29 0.00 -0.71 0.00 0.00 52.86 51.53 2kh2 s ASN 7 Cb 0.06 -0.43 0.10 0.00 0.41 0.00 0.00 41.25 41.39 2kh2 s ASN 7 CO -0.01 0.26 0.87 0.00 -1.51 0.00 0.00 177.10 176.71 2kh2 s THR 9 N -2.94 4.67 -0.18 0.00 -4.23 0.48 -0.91 115.64 112.53 2kh2 s THR 9 Ca 0.04 -0.10 -0.10 0.00 -1.18 0.00 0.00 61.69 60.35 2kh2 s THR 9 Cb -0.01 -3.01 -0.05 0.00 1.34 0.00 0.00 72.50 70.77 2kh2 s THR 9 CO -0.08 0.58 0.14 -0.76 -0.54 0.00 0.00 174.62 173.96 2kh2 s LEU 10 N -0.62 4.25 0.02 4.79 1.43 -1.26 -1.44 118.68 125.85 2kh2 s LEU 10 Ca 0.11 0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 2kh2 s LEU 10 Cb -0.12 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 2kh2 s LEU 10 CO 0.02 0.23 -0.04 -0.13 0.23 0.00 0.00 176.35 176.66 2kh2 s ARG 11 N 0.04 0.33 0.87 1.70 0.52 -1.18 -3.68 118.95 117.55 2kh2 s ARG 11 Ca 0.10 -0.57 -0.10 0.00 -0.52 0.00 0.00 55.73 54.64 2kh2 s ARG 11 Cb -0.11 -0.00 0.17 0.00 0.52 0.00 0.00 34.95 35.52 2kh2 s ARG 11 CO -0.00 -0.02 1.19 0.16 0.02 0.00 0.00 175.30 176.65 2kh2 s ASP 12 N -1.31 3.59 0.00 0.23 1.47 -0.97 -0.05 116.67 119.64 2kh2 s ASP 12 Ca -0.13 0.01 0.18 0.00 1.18 0.00 0.00 52.55 53.79 2kh2 s ASP 12 Cb -0.09 -0.18 0.99 0.00 -0.34 0.00 0.00 42.92 43.30 2kh2 s ASP 12 CO -0.01 -2.40 1.54 -1.54 0.68 0.00 0.00 175.17 173.45 2kh2 n SER 13 N -3.40 0.00 -1.32 2.11 3.41 -1.25 -2.07 113.62 111.10 2kh2 n SER 13 Ca 0.15 -0.17 0.12 0.00 -0.26 0.00 0.00 58.87 58.71 2kh2 n SER 13 Cb 0.60 -0.19 0.31 0.00 -0.26 0.00 0.00 64.21 64.66 2kh2 n SER 13 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2kh2 n GLN 14 N -1.19 2.70 -1.90 4.33 7.27 -1.26 -4.93 117.38 122.40 2kh2 n GLN 14 Ca 0.10 -2.60 -0.12 0.00 0.07 0.00 0.00 57.00 54.45 2kh2 n GLN 14 Cb 0.12 -1.56 -0.02 0.00 2.41 0.00 0.00 30.24 31.19 2kh2 n GLN 14 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2kh2 n GLN 15 N 1.61 -0.94 -3.47 3.69 1.13 -0.88 -4.95 117.38 113.56 2kh2 n GLN 15 Ca 0.24 0.73 -0.32 0.00 -1.94 0.00 0.00 57.00 55.70 2kh2 n GLN 15 Cb 0.62 -4.86 -0.05 0.00 0.11 0.00 0.00 30.24 26.05 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 -4.01 3.78 0.15 -1.09 1.02 -1.26 -4.13 119.74 114.20 2kh2 s LYS 16 Ca 0.00 0.22 0.09 0.00 0.02 0.00 0.00 55.97 56.30 2kh2 s LYS 16 Cb 0.00 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 2kh2 s LYS 16 CO 0.00 0.38 -0.15 -1.12 -0.92 0.00 0.00 175.35 173.54 2kh2 s SER 17 N -2.26 4.02 -0.14 2.83 0.01 0.13 -2.29 113.70 115.99 2kh2 s SER 17 Ca 0.44 -0.59 -0.22 0.00 1.31 0.00 0.00 55.95 56.89 2kh2 s SER 17 Cb -0.12 -0.60 -0.03 0.00 0.21 0.00 0.00 66.02 65.48 2kh2 s SER 17 CO 0.21 0.14 0.67 -0.76 0.41 0.00 0.00 173.24 173.92 2kh2 s LEU 18 N -2.48 4.21 0.12 2.44 1.43 -1.24 -1.16 118.68 122.00 2kh2 s LEU 18 Ca 0.21 1.00 0.08 0.00 -1.03 0.00 0.00 54.13 54.40 2kh2 s LEU 18 Cb -0.10 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 2kh2 s LEU 18 CO 0.12 -0.22 -0.20 0.68 0.23 0.00 0.00 176.35 176.96 2kh2 s VAL 19 N 1.49 1.70 -0.49 -1.59 -7.23 0.14 -2.01 120.40 112.41 2kh2 s VAL 19 Ca 0.33 -1.64 -0.28 0.00 -1.81 0.00 0.00 61.98 58.58 2kh2 s VAL 19 Cb -0.16 -1.61 0.03 0.00 0.56 0.00 0.00 36.38 35.20 2kh2 s VAL 19 CO 0.13 -0.15 1.10 -0.04 -0.31 0.00 0.00 175.10 175.83 2kh2 s MET 20 N -2.16 3.64 0.00 4.82 -1.94 -1.26 -0.44 119.30 121.96 2kh2 s MET 20 Ca 0.09 0.41 0.00 0.00 -1.71 0.00 0.00 55.69 54.48 2kh2 s MET 20 Cb -0.09 -3.93 0.00 0.00 2.01 0.00 0.00 34.83 32.82 2kh2 s MET 20 CO 0.05 -1.40 0.14 0.45 -0.01 0.00 0.00 175.02 174.25 2kh2 n SER 21 N 7.79 0.00 -0.27 3.03 2.88 0.36 -4.93 113.62 122.47 2kh2 n SER 21 Ca 0.10 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 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 1.54 1.67 0.17 0.46 0.00 -1.18 -4.93 105.19 102.92 2kh2 n GLY 22 Ca 0.00 -2.00 0.02 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.21 1.61 0.13 -2.03 -3.28 132.00 128.22 2kh2 h PRO 23 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 2kh2 h PRO 23 Cb 0.00 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 30.78 2kh2 h PRO 23 CO 0.00 0.44 -0.97 0.66 -0.23 0.00 0.00 178.00 177.90 2kh2 n TYR 24 N -3.87 0.66 -4.34 1.56 4.01 -1.26 -5.04 117.16 108.88 2kh2 n TYR 24 Ca -0.01 -1.32 -0.18 0.00 -0.16 0.00 0.00 57.90 56.22 2kh2 n TYR 24 Cb 0.49 -0.21 -0.14 0.00 -0.31 0.00 0.00 39.34 39.17 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 -1.99 0.76 0.02 -0.72 2.12 -1.24 -3.98 118.70 113.68 2kh2 s GLU 25 Ca 0.34 -0.46 0.07 0.00 0.36 0.00 0.00 54.97 55.28 2kh2 s GLU 25 Cb 0.37 -0.72 -0.02 0.00 0.26 0.00 0.00 34.13 34.01 2kh2 s GLU 25 CO -0.10 0.19 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.09 2kh2 s LEU 26 N -0.55 2.12 0.11 2.70 1.43 -1.26 -0.49 118.68 122.74 2kh2 s LEU 26 Ca 0.02 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 2kh2 s LEU 26 Cb -0.05 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 2kh2 s LEU 26 CO 0.00 0.21 -0.10 -0.54 0.23 0.00 0.00 176.35 176.15 2kh2 s LYS 27 N -0.95 0.91 -0.11 1.70 1.02 0.41 -1.48 119.74 121.25 2kh2 s LYS 27 Ca 0.08 -1.23 0.03 0.00 0.02 0.00 0.00 55.97 54.88 2kh2 s LYS 27 Cb -0.09 -0.58 0.00 0.00 -0.52 0.00 0.00 37.83 36.64 2kh2 s LYS 27 CO 0.01 0.09 -0.23 0.00 -0.92 0.00 0.00 175.35 174.30 2kh2 s ALA 28 N -2.61 2.12 0.09 5.17 0.00 0.23 0.27 121.76 127.03 2kh2 s ALA 28 Ca 0.08 -0.96 -0.17 0.00 0.00 0.00 0.00 51.96 50.91 2kh2 s ALA 28 Cb -0.02 -0.85 0.04 0.00 0.00 0.00 0.00 23.12 22.29 2kh2 s ALA 28 CO 0.00 0.18 0.41 -0.48 0.00 0.00 0.00 175.76 175.88 2kh2 s LEU 29 N 0.51 0.37 0.21 0.00 0.05 -0.31 -2.71 118.68 116.79 2kh2 s LEU 29 Ca -0.15 -0.18 -0.32 0.00 0.05 0.00 0.00 54.13 53.53 2kh2 s LEU 29 Cb -0.17 1.82 -0.12 0.00 -2.05 0.00 0.00 46.19 45.68 2kh2 s LEU 29 CO 0.05 -0.78 1.71 -1.00 -0.55 0.00 0.00 176.35 175.78 2kh2 s HIS 30 N -3.27 2.91 -0.36 3.48 3.76 -1.26 0.18 115.29 120.73 2kh2 s HIS 30 Ca -0.00 0.38 0.01 0.00 -0.15 0.00 0.00 55.06 55.29 2kh2 s HIS 30 Cb 0.01 -4.13 0.11 0.00 1.11 0.00 0.00 32.58 29.68 2kh2 s HIS 30 CO -0.08 -4.24 0.13 -1.17 -0.85 0.00 0.00 174.74 168.53 2kh2 s LEU 31 N 1.10 2.88 -0.22 0.89 2.96 -1.26 -4.86 118.68 120.17 2kh2 s LEU 31 Ca 0.74 -2.06 -0.03 0.00 -0.22 0.00 0.00 54.13 52.56 2kh2 s LEU 31 Cb -0.49 -1.07 0.07 0.00 0.50 0.00 0.00 46.19 45.20 2kh2 s LEU 31 CO 0.33 -0.36 0.08 -1.10 -1.32 0.00 0.00 176.35 173.97 2kh2 s GLN 32 N 1.07 0.41 0.00 1.98 -0.21 -1.26 -4.86 119.66 116.79 2kh2 s GLN 32 Ca 0.12 -0.43 0.00 0.00 0.02 0.00 0.00 55.36 55.07 2kh2 s GLN 32 Cb -0.20 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 31.97 2kh2 s GLN 32 CO -0.14 -0.77 0.00 0.41 -2.12 0.00 0.00 175.29 172.68 2kh2 n GLY 33 N 5.12 0.58 0.00 3.09 0.00 -1.26 -4.80 105.19 107.92 2kh2 n GLY 33 Ca -0.07 -1.51 0.07 0.00 0.00 0.00 0.00 46.02 44.51 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 0.96 -0.22 1.61 -0.06 -1.26 -2.99 117.38 115.42 2kh2 n GLN 34 Ca 0.00 0.00 0.10 0.00 -2.00 0.00 0.00 57.00 55.10 2kh2 n GLN 34 Cb 0.00 -1.24 0.27 0.00 -4.06 0.00 0.00 30.24 25.21 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 -0.74 2.91 -0.05 1.69 9.92 -1.26 -4.36 116.55 124.66 2kh2 n ASP 35 Ca 0.11 -1.94 0.16 0.00 -0.53 0.00 0.00 54.79 52.59 2kh2 n ASP 35 Cb 0.05 -0.29 0.59 0.00 -0.64 0.00 0.00 41.12 40.84 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 3.48 0.20 0.00 -1.24 4.05 -1.87 -0.17 114.93 119.38 2kh2 h MET 36 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2kh2 h MET 36 Cb 0.78 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.53 2kh2 h MET 36 CO 0.00 0.13 0.00 0.39 0.23 0.00 0.00 176.91 177.66 2kh2 n GLU 37 N -4.43 0.09 0.00 0.39 -0.58 -1.26 -1.75 120.64 113.09 2kh2 n GLU 37 Ca 0.10 0.25 0.14 0.00 -0.42 0.00 0.00 57.16 57.23 2kh2 n GLU 37 Cb 0.51 -1.50 0.57 0.00 -0.57 0.00 0.00 31.44 30.45 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 -1.34 0.26 -2.05 3.49 6.02 -0.08 -4.87 117.38 118.81 2kh2 n GLN 38 Ca 0.03 -0.07 -0.42 0.00 -0.01 0.00 0.00 57.00 56.54 2kh2 n GLN 38 Cb 0.08 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 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 -2.78 4.28 -0.07 -1.09 -2.07 -0.72 -4.56 119.66 112.64 2kh2 s GLN 39 Ca 0.20 2.24 -0.21 0.00 -1.82 0.00 0.00 55.36 55.77 2kh2 s GLN 39 Cb 0.19 -3.17 -0.04 0.00 -1.09 0.00 0.00 33.01 28.90 2kh2 s GLN 39 CO 0.54 -0.46 0.59 0.08 -1.32 0.00 0.00 175.29 174.72 2kh2 s VAL 40 N 0.62 5.08 -0.20 3.63 1.01 -0.85 -5.04 120.40 124.64 2kh2 s VAL 40 Ca 0.63 1.21 -0.14 0.00 0.00 0.00 0.00 61.98 63.69 2kh2 s VAL 40 Cb -0.41 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2kh2 s VAL 40 CO 0.36 0.31 0.29 -0.69 0.00 0.00 0.00 175.10 175.38 2kh2 s VAL 41 N 0.54 5.28 -0.20 2.92 1.01 -1.26 -4.39 120.40 124.29 2kh2 s VAL 41 Ca 0.32 0.50 -0.07 0.00 0.00 0.00 0.00 61.98 62.72 2kh2 s VAL 41 Cb -0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2kh2 s VAL 41 CO 0.15 0.32 0.07 -0.36 0.00 0.00 0.00 175.10 175.28 2kh2 s PHE 42 N 0.99 3.21 -0.18 5.22 0.08 -0.08 -0.82 117.98 126.40 2kh2 s PHE 42 Ca 0.15 -0.02 -0.22 0.00 0.12 0.00 0.00 56.93 56.96 2kh2 s PHE 42 Cb -0.14 -2.12 -0.03 0.00 -0.57 0.00 0.00 43.02 40.17 2kh2 s PHE 42 CO 0.05 0.04 0.66 -1.12 -0.10 0.00 0.00 175.22 174.76 2kh2 s SER 43 N 0.66 6.76 -0.37 1.36 0.01 0.56 -2.54 113.70 120.14 2kh2 s SER 43 Ca 0.03 0.93 -0.18 0.00 1.31 0.00 0.00 55.95 58.04 2kh2 s SER 43 Cb -0.13 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2kh2 s SER 43 CO 0.02 -0.27 0.49 -0.04 0.41 0.00 0.00 173.24 173.85 2kh2 s MET 44 N 1.78 3.50 -0.15 12.44 -1.94 -0.16 -2.95 119.30 131.82 2kh2 s MET 44 Ca 0.31 -0.31 -0.13 0.00 -1.71 0.00 0.00 55.69 53.85 2kh2 s MET 44 Cb -0.16 -3.85 -0.05 0.00 2.01 0.00 0.00 34.83 32.79 2kh2 s MET 44 CO 0.11 -0.69 0.28 -1.12 -0.01 0.00 0.00 175.02 173.59 2kh2 s SER 45 N 1.79 6.44 -1.09 3.03 0.01 -1.06 -2.82 113.70 119.99 2kh2 s SER 45 Ca 0.17 0.51 -0.22 0.00 1.31 0.00 0.00 55.95 57.72 2kh2 s SER 45 Cb -0.16 -2.17 0.04 0.00 0.21 0.00 0.00 66.02 63.94 2kh2 s SER 45 CO 0.14 0.14 1.60 -0.36 0.41 0.00 0.00 173.24 175.17 2kh2 s PHE 46 N 0.25 2.50 0.62 2.43 0.40 -1.00 -1.47 117.98 121.71 2kh2 s PHE 46 Ca 0.16 -0.85 -0.12 0.00 -0.60 0.00 0.00 56.93 55.52 2kh2 s PHE 46 Cb -0.13 -4.62 -0.04 0.00 0.51 0.00 0.00 43.02 38.74 2kh2 s PHE 46 CO 0.04 -1.85 1.03 0.14 0.70 0.00 0.00 175.22 175.28 2kh2 s VAL 47 N 5.57 4.59 -0.68 -0.44 -7.23 -1.20 -4.78 120.40 116.23 2kh2 s VAL 47 Ca 0.52 0.89 -0.20 0.00 -1.81 0.00 0.00 61.98 61.37 2kh2 s VAL 47 Cb 0.00 -3.78 0.10 0.00 0.56 0.00 0.00 36.38 33.26 2kh2 s VAL 47 CO -0.03 -1.05 0.88 -1.58 -0.31 0.00 0.00 175.10 173.01 2kh2 s GLN 48 N -5.02 3.17 0.00 4.82 2.00 -0.00 -4.80 119.66 119.83 2kh2 s GLN 48 Ca 0.56 -1.21 0.00 0.00 -2.00 0.00 0.00 55.36 52.71 2kh2 s GLN 48 Cb -0.11 -4.35 0.00 0.00 0.80 0.00 0.00 33.01 29.35 2kh2 s GLN 48 CO 0.51 -1.69 0.00 0.41 -0.50 0.00 0.00 175.29 174.03 2kh2 n GLY 49 N 5.29 5.02 3.58 2.59 0.00 -1.26 -4.88 105.19 115.53 2kh2 n GLY 49 Ca -0.02 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 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 4.42 3.86 -1.21 1.61 2.56 -1.26 -4.90 118.70 123.77 2kh2 s GLU 50 Ca 0.00 -1.81 -0.20 0.00 0.00 0.00 0.00 54.97 52.96 2kh2 s GLU 50 Cb 0.00 -5.50 0.03 0.00 2.00 0.00 0.00 34.13 30.66 2kh2 s GLU 50 CO 0.00 -2.31 1.75 -1.21 -0.56 0.00 0.00 175.26 172.93 2kh2 s GLU 51 N 4.45 3.53 0.45 4.30 2.02 -1.26 -4.16 118.70 128.03 2kh2 s GLU 51 Ca 0.53 -1.59 -0.03 0.00 0.02 0.00 0.00 54.97 53.90 2kh2 s GLU 51 Cb 0.03 -5.42 0.10 0.00 0.10 0.00 0.00 34.13 28.93 2kh2 s GLU 51 CO 0.05 -2.69 0.62 0.43 0.02 0.00 0.00 175.26 173.69 2kh2 n SER 52 N 10.07 0.55 0.11 -0.19 7.64 0.08 -5.00 113.62 126.89 2kh2 n SER 52 Ca 0.45 -1.53 0.01 0.00 1.01 0.00 0.00 58.87 58.80 2kh2 n SER 52 Cb 0.47 -0.43 -0.01 0.00 -1.01 0.00 0.00 64.21 63.23 2kh2 n SER 52 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2kh2 h ASN 53 N -0.53 0.00 0.00 6.43 -0.00 -2.01 -3.39 115.58 116.08 2kh2 h ASN 53 Ca -0.20 0.00 -0.07 0.00 -0.00 0.00 0.00 56.30 56.03 2kh2 h ASN 53 Cb 0.68 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.99 2kh2 h ASN 53 CO 0.19 0.59 -1.27 -0.90 -0.00 0.00 0.00 177.43 176.05 2kh2 n ASP 54 N -3.21 3.68 -4.50 1.15 5.75 -1.26 -4.94 116.55 113.22 2kh2 n ASP 54 Ca 0.00 -0.02 -0.43 0.00 -0.01 0.00 0.00 54.79 54.33 2kh2 n ASP 54 Cb 0.78 -0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.81 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2kh2 s LYS 55 N -2.09 3.28 -0.24 0.11 1.02 -1.26 -3.39 119.74 117.16 2kh2 s LYS 55 Ca -0.06 -0.44 -0.05 0.00 0.02 0.00 0.00 55.97 55.45 2kh2 s LYS 55 Cb 0.02 -4.03 -0.01 0.00 -0.52 0.00 0.00 37.83 33.28 2kh2 s LYS 55 CO 0.11 -1.28 0.00 0.42 -0.92 0.00 0.00 175.35 173.68 2kh2 s ILE 56 N 3.30 3.66 -0.36 2.17 -1.09 -0.65 -0.74 121.20 127.49 2kh2 s ILE 56 Ca 0.25 -0.45 -0.29 0.00 -2.23 0.00 0.00 60.65 57.92 2kh2 s ILE 56 Cb -0.15 -2.72 0.02 0.00 -1.58 0.00 0.00 42.46 38.03 2kh2 s ILE 56 CO 0.18 0.35 1.16 -2.16 -1.23 0.00 0.00 174.94 173.24 2kh2 s PRO 57 N 1.51 3.93 0.05 2.79 0.04 -1.26 0.08 135.00 142.14 2kh2 s PRO 57 Ca 0.05 0.99 -0.01 0.00 0.04 0.00 0.00 61.00 62.08 2kh2 s PRO 57 Cb -0.15 -3.82 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 2kh2 s PRO 57 CO -0.01 -1.10 -0.03 0.14 0.04 0.00 0.00 177.00 176.04 2kh2 s VAL 58 N 4.09 0.25 0.14 -0.36 -7.23 0.11 -3.28 120.40 114.13 2kh2 s VAL 58 Ca 0.49 -1.76 0.03 0.00 -1.81 0.00 0.00 61.98 58.93 2kh2 s VAL 58 Cb -0.12 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 2kh2 s VAL 58 CO 0.22 -0.96 0.25 0.00 -0.31 0.00 0.00 175.10 174.30 2kh2 s ALA 59 N -3.74 3.90 -0.25 1.32 0.00 -0.54 -0.33 121.76 122.12 2kh2 s ALA 59 Ca 0.06 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.98 2kh2 s ALA 59 Cb 0.07 -1.71 0.07 0.00 0.00 0.00 0.00 23.12 21.54 2kh2 s ALA 59 CO -0.09 0.56 -0.01 -0.51 0.00 0.00 0.00 175.76 175.70 2kh2 s LEU 60 N -3.15 2.67 0.18 0.00 1.43 -1.25 -2.57 118.68 115.99 2kh2 s LEU 60 Ca 0.34 -1.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.15 2kh2 s LEU 60 Cb -0.11 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.92 2kh2 s LEU 60 CO 0.28 -0.28 -0.07 -0.83 0.23 0.00 0.00 176.35 175.67 2kh2 s GLY 61 N 1.41 1.28 0.17 -3.19 0.00 -1.15 -1.23 107.32 104.61 2kh2 s GLY 61 Ca -0.01 -1.61 -0.30 0.00 0.00 0.00 0.00 44.72 42.80 2kh2 s GLY 61 CO -0.09 -1.64 0.99 1.08 0.00 0.00 0.00 173.10 173.44 2kh2 s LEU 62 N -3.23 4.55 -0.22 0.66 1.02 -0.39 -0.33 118.68 120.75 2kh2 s LEU 62 Ca 0.21 1.92 -0.33 0.00 0.02 0.00 0.00 54.13 55.96 2kh2 s LEU 62 Cb 0.03 -3.60 -0.10 0.00 0.02 0.00 0.00 46.19 42.55 2kh2 s LEU 62 CO 0.04 -0.03 2.09 1.17 0.02 0.00 0.00 176.35 179.64 2kh2 n LYS 63 N 2.22 1.72 -2.07 1.70 4.81 0.00 -1.46 118.16 125.07 2kh2 n LYS 63 Ca 0.01 0.54 -0.15 0.00 -0.87 0.00 0.00 58.31 57.84 2kh2 n LYS 63 Cb 0.48 -2.74 -0.02 0.00 0.02 0.00 0.00 35.03 32.77 2kh2 n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2kh2 n GLU 64 N 7.78 -1.15 -4.24 1.64 1.02 -1.26 -4.99 120.64 119.43 2kh2 n GLU 64 Ca 0.31 0.80 -0.18 0.00 -0.02 0.00 0.00 57.16 58.07 2kh2 n GLU 64 Cb 0.31 -5.08 -0.11 0.00 -0.02 0.00 0.00 31.44 26.54 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2kh2 s LYS 65 N -4.37 1.02 -0.23 3.49 1.02 -0.54 -5.03 119.74 115.10 2kh2 s LYS 65 Ca 0.00 -1.22 0.04 0.00 0.02 0.00 0.00 55.97 54.81 2kh2 s LYS 65 Cb 0.00 -0.91 0.42 0.00 -0.52 0.00 0.00 37.83 36.82 2kh2 s LYS 65 CO 0.00 0.18 1.46 0.27 -0.92 0.00 0.00 175.35 176.34 2kh2 n ASN 66 N 0.59 3.55 -4.39 2.83 6.94 -1.26 -4.48 115.26 119.03 2kh2 n ASN 66 Ca -0.16 -2.84 -0.36 0.00 -0.02 0.00 0.00 54.58 51.20 2kh2 n ASN 66 Cb 0.57 -0.68 -0.13 0.00 -2.36 0.00 0.00 39.78 37.18 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 -1.87 3.33 0.10 -4.53 1.43 -1.26 -0.94 118.68 114.93 2kh2 s LEU 67 Ca 0.33 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 53.19 2kh2 s LEU 67 Cb 0.27 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 2kh2 s LEU 67 CO 0.07 -0.05 -0.23 -0.31 0.23 0.00 0.00 176.35 176.06 2kh2 s TYR 68 N 1.56 1.99 -0.17 0.29 1.51 -0.99 -1.26 117.35 120.28 2kh2 s TYR 68 Ca 0.06 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.43 2kh2 s TYR 68 Cb -0.15 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 2kh2 s TYR 68 CO 0.01 0.22 1.45 -0.51 -1.11 0.00 0.00 175.55 175.62 2kh2 s LEU 69 N -1.78 4.11 -0.10 -1.29 1.43 -0.36 -1.15 118.68 119.54 2kh2 s LEU 69 Ca 0.09 1.75 0.02 0.00 -1.03 0.00 0.00 54.13 54.96 2kh2 s LEU 69 Cb -0.10 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 2kh2 s LEU 69 CO 0.04 -0.96 -0.14 -0.55 0.23 0.00 0.00 176.35 174.97 2kh2 s SER 70 N 2.97 3.96 -0.37 2.29 0.15 0.70 -4.39 113.70 119.02 2kh2 s SER 70 Ca 0.64 -0.29 -0.11 0.00 0.70 0.00 0.00 55.95 56.89 2kh2 s SER 70 Cb -0.25 -1.29 0.02 0.00 -1.71 0.00 0.00 66.02 62.79 2kh2 s SER 70 CO 0.23 0.24 0.20 0.00 1.20 0.00 0.00 173.24 175.11 2kh2 s VAL 72 N 1.57 0.73 -0.24 0.00 -7.23 -0.69 -4.71 120.40 109.82 2kh2 s VAL 72 Ca 0.02 -1.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.06 2kh2 s VAL 72 Cb -0.19 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 2kh2 s VAL 72 CO 0.07 -0.45 0.33 -0.76 -0.31 0.00 0.00 175.10 173.98 2kh2 s LEU 73 N -3.19 4.09 -0.12 1.32 1.43 -1.26 -0.08 118.68 120.87 2kh2 s LEU 73 Ca 0.25 0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.65 2kh2 s LEU 73 Cb 0.06 -2.37 0.03 0.00 0.03 0.00 0.00 46.19 43.94 2kh2 s LEU 73 CO 0.05 -0.09 -0.04 -0.54 0.23 0.00 0.00 176.35 175.96 2kh2 s LYS 74 N 1.58 1.17 -1.19 1.70 1.02 0.14 -4.81 119.74 119.36 2kh2 s LYS 74 Ca 0.14 -0.20 -0.01 0.00 0.02 0.00 0.00 55.97 55.92 2kh2 s LYS 74 Cb -0.15 -1.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.65 2kh2 s LYS 74 CO 0.08 -0.33 1.00 -3.47 -0.92 0.00 0.00 175.35 171.71 2kh2 n ASP 75 N 5.00 -2.66 -0.37 2.83 4.64 -1.26 -1.97 116.55 122.76 2kh2 n ASP 75 Ca -0.10 -0.59 -0.05 0.00 -1.38 0.00 0.00 54.79 52.67 2kh2 n ASP 75 Cb 0.49 -4.99 -0.02 0.00 -1.04 0.00 0.00 41.12 35.56 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 -3.05 -5.40 -3.94 1.67 10.43 -1.26 -4.97 116.55 110.04 2kh2 n ASP 76 Ca -0.24 0.12 -0.25 0.00 2.57 0.00 0.00 54.79 56.99 2kh2 n ASP 76 Cb 0.65 -3.32 -0.17 0.00 1.84 0.00 0.00 41.12 40.12 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 -2.17 1.48 0.04 -1.24 2.47 -0.83 -5.11 119.74 114.37 2kh2 s LYS 77 Ca 0.00 -0.28 -0.30 0.00 -1.56 0.00 0.00 55.97 53.83 2kh2 s LYS 77 Cb 0.00 -1.43 -0.07 0.00 -1.46 0.00 0.00 37.83 34.88 2kh2 s LYS 77 CO 0.00 -0.15 1.51 -2.14 0.16 0.00 0.00 175.35 174.73 2kh2 s PRO 78 N 1.29 4.25 0.15 4.03 0.02 -1.26 -0.68 135.00 142.80 2kh2 s PRO 78 Ca -0.03 2.13 0.02 0.00 0.02 0.00 0.00 61.00 63.14 2kh2 s PRO 78 Cb -0.14 -3.55 -0.04 0.00 0.02 0.00 0.00 34.50 30.78 2kh2 s PRO 78 CO -0.03 -0.64 -0.03 0.99 -0.33 0.00 0.00 177.00 176.96 2kh2 s THR 79 N 2.39 0.76 0.04 0.99 2.01 0.88 -4.73 115.64 117.99 2kh2 s THR 79 Ca 0.68 -1.98 0.00 0.00 0.31 0.00 0.00 61.69 60.71 2kh2 s THR 79 Cb -0.36 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 2kh2 s THR 79 CO 0.29 -0.61 0.14 -0.22 -0.69 0.00 0.00 174.62 173.54 2kh2 s LEU 80 N -3.14 4.11 0.35 4.42 2.96 -1.26 -1.70 118.68 124.41 2kh2 s LEU 80 Ca 0.20 0.18 -0.17 0.00 -0.22 0.00 0.00 54.13 54.11 2kh2 s LEU 80 Cb 0.05 -2.64 0.05 0.00 0.50 0.00 0.00 46.19 44.15 2kh2 s LEU 80 CO 0.01 0.20 0.79 0.00 -1.32 0.00 0.00 176.35 176.04 2kh2 s GLN 81 N -2.25 2.07 -0.29 1.98 -2.07 -0.39 -4.89 119.66 113.82 2kh2 s GLN 81 Ca 0.30 -1.29 -0.06 0.00 -1.82 0.00 0.00 55.36 52.48 2kh2 s GLN 81 Cb -0.13 0.61 0.01 0.00 -1.09 0.00 0.00 33.01 32.41 2kh2 s GLN 81 CO 0.22 -0.97 0.07 -0.51 -1.32 0.00 0.00 175.29 172.79 2kh2 s LEU 82 N -3.05 3.82 -0.18 2.60 2.01 -1.26 -0.21 118.68 122.40 2kh2 s LEU 82 Ca 0.15 -0.73 -0.08 0.00 0.01 0.00 0.00 54.13 53.47 2kh2 s LEU 82 Cb -0.05 -1.87 -0.04 0.00 0.01 0.00 0.00 46.19 44.24 2kh2 s LEU 82 CO 0.10 -0.19 0.10 -0.70 1.01 0.00 0.00 176.35 176.67 2kh2 s GLU 83 N 1.49 4.02 -0.39 1.70 2.12 -0.30 -4.89 118.70 122.45 2kh2 s GLU 83 Ca 0.02 -0.27 -0.29 0.00 0.36 0.00 0.00 54.97 54.79 2kh2 s GLU 83 Cb -0.17 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 30.93 2kh2 s GLU 83 CO 0.02 0.34 1.22 -1.12 -0.54 0.00 0.00 175.26 175.18 2kh2 s SER 84 N 0.23 6.64 0.24 -1.70 0.01 -1.26 -2.36 113.70 115.50 2kh2 s SER 84 Ca 0.07 0.85 0.08 0.00 1.31 0.00 0.00 55.95 58.26 2kh2 s SER 84 Cb -0.12 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 2kh2 s SER 84 CO -0.01 -1.17 0.12 0.68 0.41 0.00 0.00 173.24 173.27 2kh2 s VAL 85 N 4.47 4.11 0.07 3.43 -7.23 -0.12 -5.04 120.40 120.09 2kh2 s VAL 85 Ca 0.52 -1.50 -0.30 0.00 -1.81 0.00 0.00 61.98 58.88 2kh2 s VAL 85 Cb -0.12 -3.19 -0.09 0.00 0.56 0.00 0.00 36.38 33.54 2kh2 s VAL 85 CO 0.26 -0.30 1.92 -0.62 -0.31 0.00 0.00 175.10 176.05 2kh2 s ASP 86 N -3.62 6.44 0.61 4.85 2.15 -1.26 -4.80 116.67 121.04 2kh2 s ASP 86 Ca 0.32 2.71 0.40 0.00 0.43 0.00 0.00 52.55 56.40 2kh2 s ASP 86 Cb -0.08 -2.54 1.93 0.00 -0.30 0.00 0.00 42.92 41.93 2kh2 s ASP 86 CO 0.23 -1.04 2.19 1.55 -0.17 0.00 0.00 175.17 177.93 2kh2 h PRO 87 N 9.88 0.00 0.00 4.34 0.13 -1.93 -2.10 132.00 142.32 2kh2 h PRO 87 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kh2 h PRO 87 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kh2 h PRO 87 CO 0.94 0.00 -1.73 0.36 -0.23 0.00 0.00 178.00 177.34 2kh2 n LYS 88 N -3.09 0.60 -0.02 0.86 2.85 -1.26 -4.30 118.16 113.80 2kh2 n LYS 88 Ca -0.01 -0.15 0.13 0.00 -1.05 0.00 0.00 58.31 57.22 2kh2 n LYS 88 Cb 0.18 -1.41 0.25 0.00 -0.65 0.00 0.00 35.03 33.40 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 -2.06 2.53 -4.12 -5.58 3.02 -1.08 -4.90 115.26 103.08 2kh2 n ASN 89 Ca -0.03 -1.84 -0.18 0.00 -0.03 0.00 0.00 54.58 52.51 2kh2 n ASN 89 Cb 0.45 -0.02 -0.13 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.95 1.04 0.28 3.10 1.51 -0.81 -4.61 117.35 115.91 2kh2 s TYR 90 Ca 0.32 -0.39 -0.00 0.00 -1.01 0.00 0.00 57.07 55.99 2kh2 s TYR 90 Cb 0.20 -0.61 0.06 0.00 -0.11 0.00 0.00 41.96 41.50 2kh2 s TYR 90 CO 0.31 0.01 0.38 -0.35 -1.11 0.00 0.00 175.55 174.79 2kh2 n PRO 91 N 1.75 0.29 -3.84 -1.71 -0.04 -1.26 -4.81 135.00 125.38 2kh2 n PRO 91 Ca -0.19 -1.00 -0.10 0.00 -0.04 0.00 0.00 63.50 62.17 2kh2 n PRO 91 Cb 0.55 -0.27 -0.05 0.00 -0.04 0.00 0.00 33.50 33.69 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 -3.44 1.24 0.11 0.54 -2.85 -1.26 -5.07 119.74 109.01 2kh2 s LYS 92 Ca 0.25 -1.00 -0.14 0.00 -1.00 0.00 0.00 55.97 54.08 2kh2 s LYS 92 Cb -0.01 0.45 -0.07 0.00 -2.06 0.00 0.00 37.83 36.14 2kh2 s LYS 92 CO 0.17 -0.49 1.45 -0.22 0.10 0.00 0.00 175.35 176.36 2kh2 h LYS 93 N 2.39 0.77 -3.56 1.78 3.64 -1.98 -3.35 116.57 116.25 2kh2 h LYS 93 Ca -0.30 -0.39 -0.75 0.00 -1.27 0.00 0.00 60.65 57.93 2kh2 h LYS 93 Cb 1.24 0.01 -0.31 0.00 -0.41 0.00 0.00 32.23 32.76 2kh2 h LYS 93 CO 0.43 1.01 0.06 0.21 -2.27 0.00 0.00 179.45 178.90 2kh2 s LYS 94 N -4.43 3.50 0.88 1.90 2.47 -1.26 -0.82 119.74 121.98 2kh2 s LYS 94 Ca -0.12 -2.92 -0.13 0.00 -1.56 0.00 0.00 55.97 51.24 2kh2 s LYS 94 Cb 0.09 -4.21 0.15 0.00 -1.46 0.00 0.00 37.83 32.40 2kh2 s LYS 94 CO 0.84 -1.25 1.23 -1.64 0.16 0.00 0.00 175.35 174.70 2kh2 s MET 95 N -0.71 1.24 0.42 4.03 -1.94 -1.26 -5.02 119.30 116.06 2kh2 s MET 95 Ca 0.24 -0.28 -0.25 0.00 -1.71 0.00 0.00 55.69 53.69 2kh2 s MET 95 Cb -0.11 -1.93 -0.08 0.00 2.01 0.00 0.00 34.83 34.72 2kh2 s MET 95 CO -0.09 -2.01 1.23 -1.21 -0.01 0.00 0.00 175.02 172.93 2kh2 s GLU 96 N -5.70 3.91 0.63 2.03 8.01 -1.26 -4.90 118.70 121.43 2kh2 s GLU 96 Ca 0.69 1.97 0.34 0.00 0.01 0.00 0.00 54.97 57.98 2kh2 s GLU 96 Cb -0.07 -2.64 1.91 0.00 -4.31 0.00 0.00 34.13 29.03 2kh2 s GLU 96 CO 0.51 -0.48 2.16 -0.22 0.01 0.00 0.00 175.26 177.23 2kh2 h LYS 97 N 2.48 0.00 0.00 1.61 3.64 -1.95 0.10 116.57 122.45 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 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2kh2 h LYS 97 CO 0.62 0.00 0.00 2.89 -2.27 0.00 0.00 179.45 180.69 2kh2 n ARG 98 N -3.39 0.06 -0.02 1.90 1.85 -1.26 -2.84 116.66 112.96 2kh2 n ARG 98 Ca -0.01 0.11 0.06 0.00 -1.00 0.00 0.00 57.85 57.00 2kh2 n ARG 98 Cb 0.24 -1.58 0.06 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 -1.69 0.06 -3.54 2.89 3.72 0.34 -0.74 117.46 118.50 2kh2 n PHE 99 Ca 0.06 -0.06 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 2kh2 n PHE 99 Cb 0.33 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.77 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 -0.96 5.28 0.14 -4.37 1.01 -1.10 -3.95 120.40 116.44 2kh2 s VAL 100 Ca 0.15 0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.55 2kh2 s VAL 100 Cb 0.10 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2kh2 s VAL 100 CO 0.14 0.26 -0.08 -0.36 0.00 0.00 0.00 175.10 175.06 2kh2 s PHE 101 N 1.54 2.72 -0.45 5.22 0.40 0.55 -2.26 117.98 125.71 2kh2 s PHE 101 Ca 0.11 -0.18 -0.11 0.00 -0.60 0.00 0.00 56.93 56.15 2kh2 s PHE 101 Cb -0.15 -1.38 0.09 0.00 0.51 0.00 0.00 43.02 42.09 2kh2 s PHE 101 CO 0.08 0.47 0.32 -0.80 0.70 0.00 0.00 175.22 175.99 2kh2 s ASN 102 N -2.51 5.79 -0.69 1.36 0.02 0.24 -0.71 114.94 118.43 2kh2 s ASN 102 Ca 0.23 -1.59 -0.27 0.00 -1.02 0.00 0.00 52.86 50.21 2kh2 s ASN 102 Cb -0.10 -2.05 0.03 0.00 0.02 0.00 0.00 41.25 39.16 2kh2 s ASN 102 CO 0.15 -0.62 1.22 -0.75 0.02 0.00 0.00 177.10 177.12 2kh2 s LYS 103 N 1.46 3.26 0.11 -0.60 2.20 0.11 -1.37 119.74 124.91 2kh2 s LYS 103 Ca 0.04 -0.19 -0.03 0.00 -0.36 0.00 0.00 55.97 55.42 2kh2 s LYS 103 Cb -0.25 -4.14 -0.05 0.00 -1.51 0.00 0.00 37.83 31.88 2kh2 s LYS 103 CO 0.02 -1.99 0.31 0.42 -0.36 0.00 0.00 175.35 173.75 2kh2 s ILE 104 N 5.35 5.25 -0.46 5.43 1.01 0.02 -1.64 121.20 136.16 2kh2 s ILE 104 Ca 0.35 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.90 2kh2 s ILE 104 Cb -0.09 -3.63 0.16 0.00 0.01 0.00 0.00 42.46 38.91 2kh2 s ILE 104 CO 0.17 0.08 0.33 -1.61 0.00 0.00 0.00 174.94 173.91 2kh2 s GLU 105 N -2.59 1.23 0.03 2.79 2.02 -1.22 -0.06 118.70 120.90 2kh2 s GLU 105 Ca 0.39 -2.21 -0.13 0.00 0.02 0.00 0.00 54.97 53.04 2kh2 s GLU 105 Cb -0.12 -1.98 -0.07 0.00 0.10 0.00 0.00 34.13 32.06 2kh2 s GLU 105 CO 0.26 -1.29 1.20 -0.84 0.02 0.00 0.00 175.26 174.60 2kh2 h ILE 106 N 4.77 0.00 0.00 -1.63 3.07 -1.93 -3.47 117.51 118.33 2kh2 h ILE 106 Ca 0.15 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.56 2kh2 h ILE 106 Cb 0.89 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.44 2kh2 h ILE 106 CO 0.45 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.09 2kh2 n ASN 107 N -3.35 0.00 -0.99 2.16 0.23 -1.26 -4.96 115.26 107.09 2kh2 n ASN 107 Ca -0.05 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.10 2kh2 n ASN 107 Cb 0.17 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.07 2kh2 n ASN 107 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2kh2 n ASN 108 N 0.00 3.25 -4.36 0.53 2.85 -1.26 -4.93 115.26 111.34 2kh2 n ASN 108 Ca 0.00 -1.93 -0.28 0.00 -0.11 0.00 0.00 54.58 52.26 2kh2 n ASN 108 Cb 0.00 -0.25 -0.13 0.00 1.24 0.00 0.00 39.78 40.64 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 -1.23 1.36 -0.03 1.20 -0.14 -1.26 -5.05 119.74 114.58 2kh2 s LYS 109 Ca 0.34 -1.28 0.02 0.00 -1.36 0.00 0.00 55.97 53.69 2kh2 s LYS 109 Cb 0.19 -1.78 -0.03 0.00 -1.68 0.00 0.00 37.83 34.54 2kh2 s LYS 109 CO 0.26 0.42 -0.08 -0.48 -0.76 0.00 0.00 175.35 174.72 2kh2 s LEU 110 N -1.96 3.12 0.19 3.17 2.34 -1.09 -3.47 118.68 120.98 2kh2 s LEU 110 Ca 0.12 -0.11 0.11 0.00 0.06 0.00 0.00 54.13 54.30 2kh2 s LEU 110 Cb -0.10 -1.74 -0.04 0.00 -0.56 0.00 0.00 46.19 43.75 2kh2 s LEU 110 CO 0.05 0.32 -0.19 -1.61 -1.06 0.00 0.00 176.35 173.86 2kh2 s GLU 111 N -1.14 1.70 -0.30 1.48 2.02 0.92 -0.35 118.70 123.03 2kh2 s GLU 111 Ca 0.15 -1.43 0.03 0.00 0.02 0.00 0.00 54.97 53.74 2kh2 s GLU 111 Cb -0.11 -1.95 0.08 0.00 0.10 0.00 0.00 34.13 32.24 2kh2 s GLU 111 CO 0.05 0.41 -0.03 -0.06 0.02 0.00 0.00 175.26 175.65 2kh2 s PHE 112 N -1.66 3.48 0.10 1.61 0.08 -1.26 -0.80 117.98 119.54 2kh2 s PHE 112 Ca 0.22 -2.63 -0.00 0.00 0.12 0.00 0.00 56.93 54.63 2kh2 s PHE 112 Cb -0.08 -2.39 -0.04 0.00 -0.57 0.00 0.00 43.02 39.94 2kh2 s PHE 112 CO 0.11 -0.91 0.26 -2.00 -0.10 0.00 0.00 175.22 172.59 2kh2 s GLU 113 N 1.01 3.47 -0.05 0.44 2.12 -0.47 -1.47 118.70 123.75 2kh2 s GLU 113 Ca 0.00 -0.43 -0.22 0.00 0.36 0.00 0.00 54.97 54.68 2kh2 s GLU 113 Cb -0.20 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 2kh2 s GLU 113 CO -0.07 0.56 0.65 0.45 -0.54 0.00 0.00 175.26 176.31 2kh2 s SER 114 N -2.73 6.96 0.23 -1.70 0.15 0.05 0.82 113.70 117.48 2kh2 s SER 114 Ca 0.36 1.15 -0.01 0.00 0.70 0.00 0.00 55.95 58.15 2kh2 s SER 114 Cb -0.12 -2.39 0.24 0.00 -1.71 0.00 0.00 66.02 62.04 2kh2 s SER 114 CO 0.28 -0.03 1.61 0.00 1.20 0.00 0.00 173.24 176.29 2kh2 h ALA 115 N 6.38 0.88 -0.50 5.45 0.00 -1.69 -3.02 119.26 126.77 2kh2 h ALA 115 Ca -0.42 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 53.93 2kh2 h ALA 115 Cb 1.20 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2kh2 h ALA 115 CO 0.74 0.64 -0.16 0.37 0.00 0.00 0.00 179.25 180.83 2kh2 h GLN 116 N 0.44 0.98 -4.12 0.00 5.75 -1.77 -3.39 115.11 113.00 2kh2 h GLN 116 Ca 0.04 -0.38 -0.64 0.00 -0.15 0.00 0.00 58.65 57.52 2kh2 h GLN 116 Cb 0.88 -0.05 -0.40 0.00 1.07 0.00 0.00 27.48 28.98 2kh2 h GLN 116 CO 0.08 1.06 -0.71 -0.06 -2.65 0.00 0.00 178.83 176.54 2kh2 s PHE 117 N -4.76 3.12 0.45 3.99 0.08 -1.14 -5.11 117.98 114.61 2kh2 s PHE 117 Ca -0.11 -2.74 -0.25 0.00 0.12 0.00 0.00 56.93 53.96 2kh2 s PHE 117 Cb 0.13 -2.59 -0.08 0.00 -0.57 0.00 0.00 43.02 39.91 2kh2 s PHE 117 CO 0.86 -0.89 1.35 -2.14 -0.10 0.00 0.00 175.22 174.30 2kh2 s PRO 118 N 0.81 3.71 0.00 0.24 0.02 -1.22 -2.45 135.00 136.11 2kh2 s PRO 118 Ca 0.12 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.38 2kh2 s PRO 118 Cb -0.20 -2.61 0.00 0.00 0.02 0.00 0.00 34.50 31.71 2kh2 s PRO 118 CO -0.10 -0.73 0.00 0.09 -0.33 0.00 0.00 177.00 175.93 2kh2 n ASN 119 N -0.23 -3.20 -4.24 2.53 5.03 -1.26 -4.99 115.26 108.90 2kh2 n ASN 119 Ca 0.06 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.14 2kh2 n ASN 119 Cb 0.43 -1.24 -0.13 0.00 -1.02 0.00 0.00 39.78 37.82 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 -1.96 3.20 0.21 3.10 0.52 -1.03 -4.40 118.94 118.59 2kh2 s TRP 120 Ca 0.00 -1.49 0.10 0.00 0.02 0.00 0.00 56.10 54.72 2kh2 s TRP 120 Cb 0.00 -2.18 -0.04 0.00 -1.15 0.00 0.00 33.47 30.10 2kh2 s TRP 120 CO 0.00 -0.72 -0.10 0.71 0.02 0.00 0.00 176.95 176.86 2kh2 s TYR 121 N 1.36 2.58 -0.08 -1.98 2.02 0.14 -0.77 117.35 120.62 2kh2 s TYR 121 Ca -0.02 -0.24 -0.30 0.00 -0.37 0.00 0.00 57.07 56.14 2kh2 s TYR 121 Cb -0.19 -1.22 -0.05 0.00 -0.40 0.00 0.00 41.96 40.10 2kh2 s TYR 121 CO 0.00 0.55 1.63 0.42 -1.57 0.00 0.00 175.55 176.59 2kh2 s ILE 122 N -1.91 3.64 0.23 2.71 1.01 -0.54 -0.36 121.20 125.97 2kh2 s ILE 122 Ca 0.26 0.76 0.10 0.00 0.00 0.00 0.00 60.65 61.78 2kh2 s ILE 122 Cb -0.08 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 2kh2 s ILE 122 CO 0.16 -0.10 -0.19 -0.44 0.00 0.00 0.00 174.94 174.37 2kh2 s SER 123 N 3.44 3.20 -0.05 3.58 0.01 0.15 -4.48 113.70 119.55 2kh2 s SER 123 Ca 0.72 -0.96 -0.04 0.00 1.31 0.00 0.00 55.95 56.98 2kh2 s SER 123 Cb -0.31 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 65.70 2kh2 s SER 123 CO 0.29 0.00 0.12 -0.89 0.41 0.00 0.00 173.24 173.17 2kh2 s THR 124 N -2.33 -0.01 0.92 1.44 2.01 -0.80 -2.49 115.64 114.39 2kh2 s THR 124 Ca 0.24 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.14 2kh2 s THR 124 Cb -0.05 -0.18 0.15 0.00 0.01 0.00 0.00 72.50 72.43 2kh2 s THR 124 CO 0.11 0.01 1.11 -0.44 -0.69 0.00 0.00 174.62 174.72 2kh2 s SER 125 N 0.18 3.34 0.00 3.53 0.01 -1.26 -0.11 113.70 119.38 2kh2 s SER 125 Ca -0.01 1.11 0.28 0.00 1.31 0.00 0.00 55.95 58.64 2kh2 s SER 125 Cb -0.02 -1.74 1.20 0.00 0.21 0.00 0.00 66.02 65.67 2kh2 s SER 125 CO -0.00 -2.68 1.89 0.00 0.41 0.00 0.00 173.24 172.86 2kh2 n GLN 126 N -3.87 0.04 -2.59 12.44 1.13 -1.26 -4.79 117.38 118.49 2kh2 n GLN 126 Ca 0.06 0.03 -0.35 0.00 -1.94 0.00 0.00 57.00 54.80 2kh2 n GLN 126 Cb 0.58 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.39 2kh2 n GLN 126 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kh2 s ALA 127 N -2.95 3.00 0.30 -1.58 0.00 -1.26 -5.03 121.76 114.23 2kh2 s ALA 127 Ca 0.15 0.62 -0.24 0.00 0.00 0.00 0.00 51.96 52.49 2kh2 s ALA 127 Cb 0.18 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.96 2kh2 s ALA 127 CO 0.49 -0.20 0.87 -2.00 0.00 0.00 0.00 175.76 174.93 2kh2 s GLU 128 N -2.86 4.46 -1.35 0.00 2.56 -1.26 -3.87 118.70 116.39 2kh2 s GLU 128 Ca 0.62 1.17 -0.01 0.00 0.00 0.00 0.00 54.97 56.75 2kh2 s GLU 128 Cb -0.18 -2.79 0.00 0.00 2.00 0.00 0.00 34.13 33.16 2kh2 s GLU 128 CO 0.23 0.30 0.11 -1.71 -0.56 0.00 0.00 175.26 173.62 2kh2 n ASN 129 N 0.55 -4.88 -4.87 -1.70 5.15 -1.10 -5.00 115.26 103.40 2kh2 n ASN 129 Ca 0.01 -0.06 -0.37 0.00 -0.60 0.00 0.00 54.58 53.56 2kh2 n ASN 129 Cb 0.51 -3.94 -0.06 0.00 -0.53 0.00 0.00 39.78 35.75 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 -4.95 3.49 1.01 1.20 -1.94 -1.17 -4.84 119.30 112.10 2kh2 s MET 130 Ca 0.05 -0.08 -0.12 0.00 -1.71 0.00 0.00 55.69 53.84 2kh2 s MET 130 Cb -0.02 -3.19 0.20 0.00 2.01 0.00 0.00 34.83 33.82 2kh2 s MET 130 CO 0.06 0.77 1.08 -2.14 -0.01 0.00 0.00 175.02 174.78 2kh2 s PRO 131 N -1.03 0.30 -0.09 2.03 0.02 -1.26 -0.60 135.00 134.38 2kh2 s PRO 131 Ca 0.16 0.79 -0.05 0.00 0.02 0.00 0.00 61.00 61.92 2kh2 s PRO 131 Cb -0.12 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.66 2kh2 s PRO 131 CO 0.05 -2.89 0.13 0.08 -0.33 0.00 0.00 177.00 174.04 2kh2 s VAL 132 N -2.78 5.32 0.35 3.83 1.01 -0.55 -4.66 120.40 122.93 2kh2 s VAL 132 Ca 0.66 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 2kh2 s VAL 132 Cb -0.21 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2kh2 s VAL 132 CO 0.60 0.54 0.47 0.72 0.00 0.00 0.00 175.10 177.42 2kh2 s PHE 133 N -1.08 1.19 -0.20 5.22 -0.12 -1.04 -4.86 117.98 117.08 2kh2 s PHE 133 Ca 0.18 -1.37 -0.12 0.00 -0.05 0.00 0.00 56.93 55.56 2kh2 s PHE 133 Cb -0.12 -0.16 -0.05 0.00 -0.63 0.00 0.00 43.02 42.07 2kh2 s PHE 133 CO 0.07 -1.13 0.24 -1.17 -0.05 0.00 0.00 175.22 173.18 2kh2 s LEU 134 N -3.27 4.18 0.12 -1.99 2.96 -1.26 -0.67 118.68 118.74 2kh2 s LEU 134 Ca 0.32 0.33 0.10 0.00 -0.22 0.00 0.00 54.13 54.66 2kh2 s LEU 134 Cb -0.00 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 2kh2 s LEU 134 CO 0.22 0.07 -0.25 -0.83 -1.32 0.00 0.00 176.35 174.24 2kh2 s GLY 135 N 0.74 1.46 -0.15 7.98 0.00 0.52 -4.86 107.32 113.01 2kh2 s GLY 135 Ca 0.12 -1.38 0.18 0.00 0.00 0.00 0.00 44.72 43.64 2kh2 s GLY 135 CO 0.04 -1.36 1.29 0.61 0.00 0.00 0.00 173.10 173.67 2kh2 n GLY 136 N 1.03 4.47 2.78 0.20 0.00 -1.26 -0.68 105.19 111.72 2kh2 n GLY 136 Ca -0.18 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 2kh2 n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kh2 s THR 137 N -2.85 1.92 0.30 2.61 -4.23 -1.26 -4.92 115.64 107.21 2kh2 s THR 137 Ca 0.37 -3.15 -0.28 0.00 -1.18 0.00 0.00 61.69 57.45 2kh2 s THR 137 Cb 0.31 -2.32 -0.09 0.00 1.34 0.00 0.00 72.50 71.74 2kh2 s THR 137 CO 0.06 -0.93 1.10 -0.75 -0.54 0.00 0.00 174.62 173.56 2kh2 s LYS 138 N -0.25 4.54 0.00 3.99 2.20 -1.26 -3.07 119.74 125.89 2kh2 s LYS 138 Ca 0.21 1.78 0.00 0.00 -0.36 0.00 0.00 55.97 57.59 2kh2 s LYS 138 Cb -0.17 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 2kh2 s LYS 138 CO -0.06 0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.47 2kh2 n GLY 139 N 1.04 0.51 0.00 5.54 0.00 -1.26 -5.03 105.19 105.99 2kh2 n GLY 139 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.89 1.62 0.26 -0.02 0.00 -1.18 -5.00 105.19 97.99 2kh2 n GLY 140 Ca 0.00 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 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 0.93 -6.73 1.61 7.50 -1.96 -3.44 115.11 113.02 2kh2 h GLN 141 Ca 0.00 -0.50 -0.50 0.00 0.50 0.00 0.00 58.65 58.15 2kh2 h GLN 141 Cb 0.00 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.54 2kh2 h GLN 141 CO 0.00 1.15 0.40 -0.51 -1.50 0.00 0.00 178.83 178.37 2kh2 s ASP 142 N -6.83 7.48 0.06 1.46 1.01 -1.26 -4.41 116.67 114.18 2kh2 s ASP 142 Ca -0.11 2.04 -0.30 0.00 0.71 0.00 0.00 52.55 54.89 2kh2 s ASP 142 Cb 0.11 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.38 2kh2 s ASP 142 CO 0.88 0.00 1.06 -0.63 0.21 0.00 0.00 175.17 176.70 2kh2 s ILE 143 N -0.93 4.42 -0.87 0.77 1.01 0.84 -4.63 121.20 121.82 2kh2 s ILE 143 Ca 0.44 1.81 0.07 0.00 0.00 0.00 0.00 60.65 62.97 2kh2 s ILE 143 Cb -0.28 -4.16 0.08 0.00 0.01 0.00 0.00 42.46 38.11 2kh2 s ILE 143 CO 0.35 0.18 0.79 0.35 0.00 0.00 0.00 174.94 176.61 2kh2 n THR 144 N 3.57 0.15 -4.44 2.92 -2.24 -1.26 -1.90 114.28 111.06 2kh2 n THR 144 Ca 0.06 -0.57 -0.32 0.00 -2.27 0.00 0.00 64.05 60.95 2kh2 n THR 144 Cb 0.49 1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.66 4.53 0.35 3.42 -4.77 -1.26 -4.31 116.67 113.97 2kh2 s ASP 145 Ca 0.09 -0.20 0.04 0.00 -3.30 0.00 0.00 52.55 49.19 2kh2 s ASP 145 Cb 0.06 -1.01 -0.03 0.00 -1.09 0.00 0.00 42.92 40.85 2kh2 s ASP 145 CO 0.09 0.27 0.18 -0.36 0.70 0.00 0.00 175.17 176.05 2kh2 s PHE 146 N -1.02 1.70 0.06 2.11 0.08 0.52 -3.87 117.98 117.55 2kh2 s PHE 146 Ca 0.18 -1.41 0.08 0.00 0.12 0.00 0.00 56.93 55.89 2kh2 s PHE 146 Cb -0.11 -0.93 -0.03 0.00 -0.57 0.00 0.00 43.02 41.38 2kh2 s PHE 146 CO 0.08 -0.53 -0.21 0.95 -0.10 0.00 0.00 175.22 175.42 2kh2 s THR 147 N -3.43 1.70 -0.48 0.64 -4.23 0.93 -2.66 115.64 108.11 2kh2 s THR 147 Ca 0.33 -1.28 -0.13 0.00 -1.18 0.00 0.00 61.69 59.43 2kh2 s THR 147 Cb 0.03 -1.49 0.10 0.00 1.34 0.00 0.00 72.50 72.48 2kh2 s THR 147 CO 0.19 0.16 0.39 -0.32 -0.54 0.00 0.00 174.62 174.49 2kh2 s MET 148 N -1.33 2.83 -0.55 3.99 1.75 -1.26 -3.08 119.30 121.65 2kh2 s MET 148 Ca 0.07 -1.53 -0.13 0.00 -1.25 0.00 0.00 55.69 52.86 2kh2 s MET 148 Cb -0.09 -4.07 0.14 0.00 2.84 0.00 0.00 34.83 33.64 2kh2 s MET 148 CO 0.02 -1.11 0.47 -0.65 -0.65 0.00 0.00 175.02 173.10 2kh2 s GLN 149 N 1.54 2.86 0.09 4.11 1.11 -0.52 -4.93 119.66 123.93 2kh2 s GLN 149 Ca 0.04 -1.82 -0.31 0.00 0.01 0.00 0.00 55.36 53.28 2kh2 s GLN 149 Cb -0.26 -4.17 -0.10 0.00 -1.01 0.00 0.00 33.01 27.48 2kh2 s GLN 149 CO 0.04 -1.28 1.81 -0.06 0.01 0.00 0.00 175.29 175.81 2kh2 s PHE 150 N 1.34 2.06 0.44 0.91 0.08 -1.26 -0.39 117.98 121.15 2kh2 s PHE 150 Ca 0.06 -0.02 0.08 0.00 0.12 0.00 0.00 56.93 57.16 2kh2 s PHE 150 Cb -0.27 -4.14 -0.00 0.00 -0.57 0.00 0.00 43.02 38.04 2kh2 s PHE 150 CO 0.00 -4.76 0.43 0.14 -0.10 0.00 0.00 175.22 170.93 2kh2 s VAL 151 N 3.03 2.55 -0.85 -0.44 -7.23 -1.23 -4.92 120.40 111.30 2kh2 s VAL 151 Ca 0.81 -1.30 -0.21 0.00 -1.81 0.00 0.00 61.98 59.46 2kh2 s VAL 151 Cb -0.44 -2.85 0.09 0.00 0.56 0.00 0.00 36.38 33.74 2kh2 s VAL 151 CO 0.36 0.00 1.13 -0.44 -0.31 0.00 0.00 175.10 175.84 2kh2 s SER 152 N -4.20 6.44 0.00 4.85 0.01 -1.26 -4.87 113.70 114.67 2kh2 s SER 152 Ca 0.48 -1.55 0.00 0.00 1.31 0.00 0.00 55.95 56.19 2kh2 s SER 152 Cb -0.04 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2kh2 s SER 152 CO 0.28 -1.29 0.00 -1.20 0.41 0.00 0.00 173.24 171.45