#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 0.34 -5.16 0.00 0.13 -2.08 -3.42 132.00 121.80 2kh2 h PRO 2 Ca 0.00 -0.10 -0.67 0.00 -0.87 0.00 0.00 66.00 64.36 2kh2 h PRO 2 Cb 0.00 -0.03 -0.32 0.00 0.13 0.00 0.00 31.00 30.78 2kh2 h PRO 2 CO 0.00 0.52 -0.83 0.54 -0.23 0.00 0.00 178.00 178.00 2kh2 s VAL 3 N -5.05 2.42 0.23 1.56 0.11 -1.26 -5.12 120.40 113.29 2kh2 s VAL 3 Ca -0.14 -0.85 0.05 0.00 -2.93 0.00 0.00 61.98 58.12 2kh2 s VAL 3 Cb 0.07 -2.01 -0.03 0.00 -1.53 0.00 0.00 36.38 32.87 2kh2 s VAL 3 CO 0.73 0.52 0.34 -0.13 -3.33 0.00 0.00 175.10 173.23 2kh2 s ARG 4 N 0.95 3.39 -0.01 1.54 0.52 -1.26 -5.04 118.95 119.04 2kh2 s ARG 4 Ca -0.03 -0.77 -0.25 0.00 -0.52 0.00 0.00 55.73 54.15 2kh2 s ARG 4 Cb -0.15 -2.87 0.06 0.00 0.52 0.00 0.00 34.95 32.51 2kh2 s ARG 4 CO -0.03 0.43 0.56 -1.12 0.02 0.00 0.00 175.30 175.16 2kh2 s SER 5 N -3.91 -0.50 0.14 0.23 0.01 -1.26 -2.83 113.70 105.58 2kh2 s SER 5 Ca 0.34 0.43 0.03 0.00 1.31 0.00 0.00 55.95 58.06 2kh2 s SER 5 Cb -0.09 0.48 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 2kh2 s SER 5 CO 0.29 -0.61 -0.06 -1.48 0.41 0.00 0.00 173.24 171.79 2kh2 s LEU 6 N -1.44 2.41 -0.13 2.44 0.05 -0.42 -4.95 118.68 116.64 2kh2 s LEU 6 Ca -0.10 -1.06 -0.01 0.00 0.05 0.00 0.00 54.13 53.01 2kh2 s LEU 6 Cb -0.01 -0.18 -0.02 0.00 -2.05 0.00 0.00 46.19 43.93 2kh2 s LEU 6 CO 0.05 -0.44 -0.11 0.20 -0.55 0.00 0.00 176.35 175.50 2kh2 s ASN 7 N -3.14 4.21 0.11 1.48 0.01 -1.26 0.25 114.94 116.60 2kh2 s ASN 7 Ca 0.17 -0.26 -0.02 0.00 -0.71 0.00 0.00 52.86 52.05 2kh2 s ASN 7 Cb 0.04 -1.58 -0.04 0.00 0.41 0.00 0.00 41.25 40.09 2kh2 s ASN 7 CO 0.00 0.19 0.05 0.00 -1.51 0.00 0.00 177.10 175.82 2kh2 s THR 9 N -4.00 2.94 -0.13 0.00 -4.23 0.35 -2.10 115.64 108.47 2kh2 s THR 9 Ca 0.18 -1.71 -0.29 0.00 -1.18 0.00 0.00 61.69 58.68 2kh2 s THR 9 Cb 0.07 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 71.03 2kh2 s THR 9 CO -0.02 -0.33 1.46 -0.76 -0.54 0.00 0.00 174.62 174.42 2kh2 s LEU 10 N 1.17 4.20 0.00 4.79 1.43 -1.26 -3.44 118.68 125.56 2kh2 s LEU 10 Ca 0.00 1.89 0.01 0.00 -1.03 0.00 0.00 54.13 55.00 2kh2 s LEU 10 Cb -0.21 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.47 2kh2 s LEU 10 CO -0.03 -0.89 -0.04 -0.13 0.23 0.00 0.00 176.35 175.49 2kh2 s ARG 11 N 3.86 0.32 0.78 1.70 0.52 -1.21 -3.36 118.95 121.56 2kh2 s ARG 11 Ca 0.64 -0.19 -0.09 0.00 -0.52 0.00 0.00 55.73 55.57 2kh2 s ARG 11 Cb -0.26 -0.28 0.09 0.00 0.52 0.00 0.00 34.95 35.02 2kh2 s ARG 11 CO 0.22 0.08 1.11 0.16 0.02 0.00 0.00 175.30 176.89 2kh2 s ASP 12 N -0.22 4.42 0.00 0.23 1.47 -0.22 -0.57 116.67 121.79 2kh2 s ASP 12 Ca 0.00 0.47 0.06 0.00 1.18 0.00 0.00 52.55 54.26 2kh2 s ASP 12 Cb -0.02 -0.96 0.39 0.00 -0.34 0.00 0.00 42.92 41.99 2kh2 s ASP 12 CO -0.00 -1.89 1.12 -1.20 0.68 0.00 0.00 175.17 173.88 2kh2 n SER 13 N -3.17 0.00 -0.89 2.11 7.64 -1.26 -2.59 113.62 115.47 2kh2 n SER 13 Ca 0.10 -1.51 0.07 0.00 1.01 0.00 0.00 58.87 58.54 2kh2 n SER 13 Cb 0.60 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 64.03 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 -0.62 3.01 -1.78 1.43 1.13 -1.26 -4.95 117.38 114.34 2kh2 n GLN 14 Ca 0.05 -2.41 -0.10 0.00 -1.94 0.00 0.00 57.00 52.60 2kh2 n GLN 14 Cb 0.02 -1.52 -0.02 0.00 0.11 0.00 0.00 30.24 28.83 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 0.42 -0.73 -4.21 -1.09 1.13 -1.07 -4.90 117.38 106.93 2kh2 n GLN 15 Ca 0.17 0.64 -0.35 0.00 -1.94 0.00 0.00 57.00 55.52 2kh2 n GLN 15 Cb 0.62 -4.62 -0.09 0.00 0.11 0.00 0.00 30.24 26.26 2kh2 n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2kh2 s LYS 16 N -3.74 3.40 0.28 -1.09 1.02 -1.26 -2.46 119.74 115.89 2kh2 s LYS 16 Ca 0.00 -0.37 0.10 0.00 0.02 0.00 0.00 55.97 55.72 2kh2 s LYS 16 Cb 0.00 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.29 2kh2 s LYS 16 CO 0.00 0.54 -0.01 -1.12 -0.92 0.00 0.00 175.35 173.84 2kh2 s SER 17 N -0.42 4.41 -0.10 2.83 0.01 0.21 -1.05 113.70 119.60 2kh2 s SER 17 Ca 0.09 -0.74 -0.25 0.00 1.31 0.00 0.00 55.95 56.35 2kh2 s SER 17 Cb -0.12 -0.74 -0.03 0.00 0.21 0.00 0.00 66.02 65.35 2kh2 s SER 17 CO 0.02 -0.06 0.80 -0.76 0.41 0.00 0.00 173.24 173.65 2kh2 s LEU 18 N -3.68 4.26 0.11 2.44 1.43 -1.21 -2.07 118.68 119.95 2kh2 s LEU 18 Ca 0.32 1.25 0.08 0.00 -1.03 0.00 0.00 54.13 54.75 2kh2 s LEU 18 Cb -0.05 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 2kh2 s LEU 18 CO 0.20 -0.26 -0.20 0.68 0.23 0.00 0.00 176.35 176.99 2kh2 s VAL 19 N 1.43 1.72 -0.39 -1.59 -7.23 0.11 -2.48 120.40 111.96 2kh2 s VAL 19 Ca 0.40 -1.61 -0.25 0.00 -1.81 0.00 0.00 61.98 58.71 2kh2 s VAL 19 Cb -0.18 -1.60 0.02 0.00 0.56 0.00 0.00 36.38 35.18 2kh2 s VAL 19 CO 0.17 -0.11 0.91 -0.04 -0.31 0.00 0.00 175.10 175.71 2kh2 s MET 20 N -2.07 3.75 0.00 4.82 -1.94 -1.26 -0.63 119.30 121.97 2kh2 s MET 20 Ca 0.08 0.43 0.00 0.00 -1.71 0.00 0.00 55.69 54.49 2kh2 s MET 20 Cb -0.09 -3.84 0.00 0.00 2.01 0.00 0.00 34.83 32.91 2kh2 s MET 20 CO 0.05 -1.01 0.09 0.45 -0.01 0.00 0.00 175.02 174.58 2kh2 n SER 21 N 6.84 0.00 -0.38 3.03 2.88 0.60 -4.96 113.62 121.64 2kh2 n SER 21 Ca 0.06 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2kh2 n SER 21 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 1.97 2.06 0.20 0.46 0.00 -1.22 -4.93 105.19 103.73 2kh2 n GLY 22 Ca 0.00 -2.06 0.06 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.07 1.61 0.13 -2.04 -3.25 132.00 128.38 2kh2 h PRO 23 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 2kh2 h PRO 23 Cb 0.00 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 30.88 2kh2 h PRO 23 CO 0.00 0.33 -0.83 0.66 -0.23 0.00 0.00 178.00 177.93 2kh2 n TYR 24 N -3.78 0.24 -4.46 1.56 4.01 -1.26 -5.04 117.16 108.43 2kh2 n TYR 24 Ca -0.01 -1.08 -0.21 0.00 -0.16 0.00 0.00 57.90 56.44 2kh2 n TYR 24 Cb 0.42 -0.20 -0.15 0.00 -0.31 0.00 0.00 39.34 39.09 2kh2 n TYR 24 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2kh2 s GLU 25 N -1.67 1.00 -0.03 -0.72 2.12 -1.23 -4.20 118.70 113.96 2kh2 s GLU 25 Ca 0.36 -0.36 0.07 0.00 0.36 0.00 0.00 54.97 55.39 2kh2 s GLU 25 Cb 0.38 -0.94 -0.02 0.00 0.26 0.00 0.00 34.13 33.82 2kh2 s GLU 25 CO -0.11 0.17 -0.24 -0.51 -0.54 0.00 0.00 175.26 174.03 2kh2 s LEU 26 N 0.01 2.04 0.15 2.70 1.43 -1.26 -0.29 118.68 123.45 2kh2 s LEU 26 Ca -0.00 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 2kh2 s LEU 26 Cb -0.07 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 2kh2 s LEU 26 CO 0.00 0.27 -0.10 -0.54 0.23 0.00 0.00 176.35 176.22 2kh2 s LYS 27 N -0.43 1.06 -0.11 1.70 1.02 0.20 -1.23 119.74 121.95 2kh2 s LYS 27 Ca 0.05 -1.45 0.03 0.00 0.02 0.00 0.00 55.97 54.62 2kh2 s LYS 27 Cb -0.10 -0.60 0.00 0.00 -0.52 0.00 0.00 37.83 36.62 2kh2 s LYS 27 CO 0.00 0.06 -0.22 0.00 -0.92 0.00 0.00 175.35 174.28 2kh2 s ALA 28 N -3.35 2.08 0.11 5.17 0.00 0.38 0.07 121.76 126.22 2kh2 s ALA 28 Ca 0.17 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 2kh2 s ALA 28 Cb 0.03 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.32 2kh2 s ALA 28 CO 0.00 0.16 0.30 -0.48 0.00 0.00 0.00 175.76 175.75 2kh2 s LEU 29 N 0.55 0.89 0.01 0.00 0.05 -0.88 -3.15 118.68 116.15 2kh2 s LEU 29 Ca -0.14 -0.50 -0.31 0.00 0.05 0.00 0.00 54.13 53.23 2kh2 s LEU 29 Cb -0.17 1.45 -0.09 0.00 -2.05 0.00 0.00 46.19 45.32 2kh2 s LEU 29 CO 0.05 -0.80 1.97 1.41 -0.55 0.00 0.00 176.35 178.42 2kh2 n HIS 30 N -0.15 2.48 -3.85 3.48 8.25 -1.26 -0.62 115.22 123.55 2kh2 n HIS 30 Ca -0.15 -0.32 -0.29 0.00 -0.26 0.00 0.00 57.72 56.70 2kh2 n HIS 30 Cb 0.63 -2.78 -0.13 0.00 1.12 0.00 0.00 29.99 28.83 2kh2 n HIS 30 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2kh2 s LEU 31 N 4.48 4.05 -0.21 2.41 2.96 -1.03 -4.90 118.68 126.45 2kh2 s LEU 31 Ca 0.90 -3.30 -0.02 0.00 -0.22 0.00 0.00 54.13 51.49 2kh2 s LEU 31 Cb -0.47 -1.45 0.06 0.00 0.50 0.00 0.00 46.19 44.82 2kh2 s LEU 31 CO 0.44 -0.17 0.01 -1.58 -1.32 0.00 0.00 176.35 173.72 2kh2 s GLN 32 N -0.64 0.95 0.00 1.98 -0.44 -1.26 -4.84 119.66 115.42 2kh2 s GLN 32 Ca 0.21 -0.61 0.00 0.00 -2.50 0.00 0.00 55.36 52.47 2kh2 s GLN 32 Cb -0.15 -2.26 0.00 0.00 -1.64 0.00 0.00 33.01 28.96 2kh2 s GLN 32 CO -0.08 -0.63 0.00 0.41 0.50 0.00 0.00 175.29 175.49 2kh2 n GLY 33 N 4.93 0.73 0.00 2.59 0.00 -1.26 -4.83 105.19 107.35 2kh2 n GLY 33 Ca -0.10 -1.70 0.13 0.00 0.00 0.00 0.00 46.02 44.36 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 0.71 -0.19 1.61 -0.06 -1.26 -2.76 117.38 115.43 2kh2 n GLN 34 Ca 0.00 0.01 0.09 0.00 -2.00 0.00 0.00 57.00 55.11 2kh2 n GLN 34 Cb 0.00 -1.50 0.26 0.00 -4.06 0.00 0.00 30.24 24.94 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 -1.08 2.54 0.23 1.69 9.92 -1.26 -4.29 116.55 124.30 2kh2 n ASP 35 Ca 0.18 -1.92 0.14 0.00 -0.53 0.00 0.00 54.79 52.66 2kh2 n ASP 35 Cb 0.13 -0.25 0.77 0.00 -0.64 0.00 0.00 41.12 41.12 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 3.03 0.00 0.00 -1.24 4.05 -1.84 -1.69 114.93 117.25 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 0.68 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.48 2kh2 h MET 36 CO 0.00 0.00 0.00 0.39 0.23 0.00 0.00 176.91 177.53 2kh2 n GLU 37 N -4.16 0.02 0.00 0.39 -0.58 -1.26 -1.28 120.64 113.76 2kh2 n GLU 37 Ca -0.00 0.36 0.14 0.00 -0.42 0.00 0.00 57.16 57.24 2kh2 n GLU 37 Cb 0.20 -1.50 0.69 0.00 -0.57 0.00 0.00 31.44 30.26 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 -1.46 0.36 -1.86 3.49 6.02 -0.63 -4.85 117.38 118.45 2kh2 n GLN 38 Ca 0.02 0.02 -0.41 0.00 -0.01 0.00 0.00 57.00 56.62 2kh2 n GLN 38 Cb 0.06 -1.50 -0.01 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 -2.61 4.16 -0.05 -1.09 -2.07 -0.41 -4.62 119.66 112.98 2kh2 s GLN 39 Ca 0.25 2.50 -0.19 0.00 -1.82 0.00 0.00 55.36 56.10 2kh2 s GLN 39 Cb 0.19 -3.02 -0.05 0.00 -1.09 0.00 0.00 33.01 29.03 2kh2 s GLN 39 CO 0.43 -0.52 0.52 0.08 -1.32 0.00 0.00 175.29 174.48 2kh2 s VAL 40 N -0.50 5.05 -0.26 3.63 1.01 -1.04 -5.05 120.40 123.25 2kh2 s VAL 40 Ca 0.58 1.07 -0.12 0.00 0.00 0.00 0.00 61.98 63.51 2kh2 s VAL 40 Cb -0.46 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 2kh2 s VAL 40 CO 0.53 0.40 0.22 -0.69 0.00 0.00 0.00 175.10 175.56 2kh2 s VAL 41 N 0.06 5.30 -0.19 2.92 1.01 -1.26 -4.59 120.40 123.65 2kh2 s VAL 41 Ca 0.28 0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.44 2kh2 s VAL 41 Cb -0.17 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 2kh2 s VAL 41 CO 0.14 0.27 0.11 -0.36 0.00 0.00 0.00 175.10 175.25 2kh2 s PHE 42 N 1.52 3.36 -0.23 5.22 0.40 -0.89 -1.57 117.98 125.79 2kh2 s PHE 42 Ca 0.09 0.25 -0.23 0.00 -0.60 0.00 0.00 56.93 56.44 2kh2 s PHE 42 Cb -0.15 -2.12 -0.01 0.00 0.51 0.00 0.00 43.02 41.25 2kh2 s PHE 42 CO 0.08 0.26 0.76 -1.12 0.70 0.00 0.00 175.22 175.90 2kh2 s SER 43 N 0.29 6.77 -0.41 1.36 0.01 0.18 -2.16 113.70 119.74 2kh2 s SER 43 Ca 0.07 0.95 -0.12 0.00 1.31 0.00 0.00 55.95 58.16 2kh2 s SER 43 Cb -0.11 -2.40 0.05 0.00 0.21 0.00 0.00 66.02 63.76 2kh2 s SER 43 CO -0.01 -0.43 0.28 -0.32 0.41 0.00 0.00 173.24 173.17 2kh2 s MET 44 N 2.52 2.82 -0.03 12.44 1.75 0.14 -3.11 119.30 135.83 2kh2 s MET 44 Ca 0.33 -1.24 -0.04 0.00 -1.25 0.00 0.00 55.69 53.48 2kh2 s MET 44 Cb -0.16 -3.87 -0.04 0.00 2.84 0.00 0.00 34.83 33.60 2kh2 s MET 44 CO 0.09 -0.85 0.20 -1.12 -0.65 0.00 0.00 175.02 172.68 2kh2 s SER 45 N 1.97 6.40 -0.90 1.11 0.01 -1.21 -1.30 113.70 119.79 2kh2 s SER 45 Ca 0.03 0.42 -0.23 0.00 1.31 0.00 0.00 55.95 57.48 2kh2 s SER 45 Cb -0.21 -2.04 0.07 0.00 0.21 0.00 0.00 66.02 64.05 2kh2 s SER 45 CO 0.06 0.29 1.29 -0.36 0.41 0.00 0.00 173.24 174.92 2kh2 s PHE 46 N -1.26 2.62 0.81 2.43 0.08 -1.13 -2.09 117.98 119.44 2kh2 s PHE 46 Ca 0.25 -0.76 -0.08 0.00 0.12 0.00 0.00 56.93 56.45 2kh2 s PHE 46 Cb -0.13 -4.55 0.13 0.00 -0.57 0.00 0.00 43.02 37.91 2kh2 s PHE 46 CO 0.15 -1.84 1.13 0.14 -0.10 0.00 0.00 175.22 174.70 2kh2 s VAL 47 N 4.53 2.12 -0.28 -0.44 -7.23 -0.98 -4.85 120.40 113.27 2kh2 s VAL 47 Ca 0.38 -0.26 -0.08 0.00 -1.81 0.00 0.00 61.98 60.21 2kh2 s VAL 47 Cb -0.05 -2.86 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 2kh2 s VAL 47 CO -0.02 0.00 0.10 -1.58 -0.31 0.00 0.00 175.10 173.28 2kh2 s GLN 48 N -5.46 3.37 0.00 4.82 2.00 -0.74 -4.72 119.66 118.92 2kh2 s GLN 48 Ca 0.67 -0.68 0.00 0.00 -2.00 0.00 0.00 55.36 53.35 2kh2 s GLN 48 Cb -0.06 -3.41 0.00 0.00 0.80 0.00 0.00 33.01 30.34 2kh2 s GLN 48 CO 0.48 -0.34 0.00 0.41 -0.50 0.00 0.00 175.29 175.33 2kh2 n GLY 49 N 4.92 1.54 3.56 2.59 0.00 -1.26 -4.85 105.19 111.69 2kh2 n GLY 49 Ca -0.15 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2kh2 n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kh2 s GLU 50 N 4.41 3.05 0.09 1.61 8.01 -1.26 -4.94 118.70 129.68 2kh2 s GLU 50 Ca 0.00 -0.78 0.03 0.00 0.01 0.00 0.00 54.97 54.23 2kh2 s GLU 50 Cb 0.00 -5.22 -0.04 0.00 -4.31 0.00 0.00 34.13 24.56 2kh2 s GLU 50 CO 0.00 -2.88 0.11 -2.00 0.01 0.00 0.00 175.26 170.50 2kh2 s GLU 51 N 5.99 2.96 0.00 1.61 2.12 -1.26 -3.70 118.70 126.42 2kh2 s GLU 51 Ca 0.59 -0.69 0.00 0.00 0.36 0.00 0.00 54.97 55.23 2kh2 s GLU 51 Cb -0.03 -2.75 0.00 0.00 0.26 0.00 0.00 34.13 31.61 2kh2 s GLU 51 CO -0.03 0.55 0.00 -1.13 -0.54 0.00 0.00 175.26 174.11 2kh2 n SER 52 N 0.27 0.00 0.18 -1.70 3.41 -0.11 -4.95 113.62 110.72 2kh2 n SER 52 Ca -0.08 -0.27 0.09 0.00 -0.26 0.00 0.00 58.87 58.35 2kh2 n SER 52 Cb 0.52 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.57 2kh2 n SER 52 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2kh2 h ASN 53 N 0.00 0.00 0.00 4.04 -1.24 -2.01 -3.40 115.58 112.97 2kh2 h ASN 53 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 2kh2 h ASN 53 Cb 0.00 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 2kh2 h ASN 53 CO 0.00 0.15 -1.11 -0.90 -1.29 0.00 0.00 177.43 174.28 2kh2 n ASP 54 N -3.06 1.86 -4.56 1.15 5.75 -1.26 -4.97 116.55 111.47 2kh2 n ASP 54 Ca 0.02 0.01 -0.43 0.00 -0.01 0.00 0.00 54.79 54.38 2kh2 n ASP 54 Cb 0.60 -0.04 -0.05 0.00 -1.03 0.00 0.00 41.12 40.59 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 -2.04 3.51 -0.18 0.11 1.02 -1.26 -2.53 119.74 118.38 2kh2 s LYS 55 Ca -0.03 0.06 -0.03 0.00 0.02 0.00 0.00 55.97 55.99 2kh2 s LYS 55 Cb 0.01 -3.91 -0.01 0.00 -0.52 0.00 0.00 37.83 33.39 2kh2 s LYS 55 CO 0.04 -1.10 -0.07 0.42 -0.92 0.00 0.00 175.35 173.72 2kh2 s ILE 56 N 3.39 3.39 -0.35 2.17 -1.09 -0.21 -0.93 121.20 127.57 2kh2 s ILE 56 Ca 0.32 -0.51 -0.29 0.00 -2.23 0.00 0.00 60.65 57.94 2kh2 s ILE 56 Cb -0.12 -2.49 0.02 0.00 -1.58 0.00 0.00 42.46 38.29 2kh2 s ILE 56 CO 0.23 0.47 1.07 -2.16 -1.23 0.00 0.00 174.94 173.32 2kh2 s PRO 57 N 0.86 3.98 0.14 2.79 0.04 -1.24 -0.19 135.00 141.38 2kh2 s PRO 57 Ca -0.02 0.93 0.02 0.00 0.04 0.00 0.00 61.00 61.98 2kh2 s PRO 57 Cb -0.15 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 2kh2 s PRO 57 CO 0.01 -1.00 -0.04 0.14 0.04 0.00 0.00 177.00 176.15 2kh2 s VAL 58 N 3.79 0.80 0.12 -0.36 -7.23 0.23 -2.32 120.40 115.41 2kh2 s VAL 58 Ca 0.45 -1.98 0.04 0.00 -1.81 0.00 0.00 61.98 58.68 2kh2 s VAL 58 Cb -0.11 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 2kh2 s VAL 58 CO 0.19 -0.67 0.09 0.00 -0.31 0.00 0.00 175.10 174.40 2kh2 s ALA 59 N -3.57 3.52 -0.26 1.32 0.00 -0.89 -0.56 121.76 121.32 2kh2 s ALA 59 Ca 0.18 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2kh2 s ALA 59 Cb 0.05 -1.36 0.08 0.00 0.00 0.00 0.00 23.12 21.88 2kh2 s ALA 59 CO 0.00 0.64 0.01 -0.51 0.00 0.00 0.00 175.76 175.90 2kh2 s LEU 60 N -2.68 2.63 0.13 0.00 1.43 -1.26 -3.29 118.68 115.64 2kh2 s LEU 60 Ca 0.29 -1.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.05 2kh2 s LEU 60 Cb -0.11 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 2kh2 s LEU 60 CO 0.22 -0.31 -0.10 -0.83 0.23 0.00 0.00 176.35 175.56 2kh2 s GLY 61 N 1.44 0.98 0.33 -3.19 0.00 -1.18 -1.49 107.32 104.20 2kh2 s GLY 61 Ca 0.01 -1.37 -0.27 0.00 0.00 0.00 0.00 44.72 43.09 2kh2 s GLY 61 CO -0.11 -1.46 1.10 1.08 0.00 0.00 0.00 173.10 173.71 2kh2 s LEU 62 N -2.87 4.40 0.01 0.66 1.02 -0.31 -0.64 118.68 120.94 2kh2 s LEU 62 Ca 0.12 2.22 -0.33 0.00 0.02 0.00 0.00 54.13 56.16 2kh2 s LEU 62 Cb 0.00 -3.82 -0.12 0.00 0.02 0.00 0.00 46.19 42.27 2kh2 s LEU 62 CO 0.00 -0.31 1.81 1.17 0.02 0.00 0.00 176.35 179.05 2kh2 n LYS 63 N 0.71 2.30 -2.42 1.70 4.81 -0.61 -1.74 118.16 122.91 2kh2 n LYS 63 Ca 0.01 0.84 -0.13 0.00 -0.87 0.00 0.00 58.31 58.16 2kh2 n LYS 63 Cb 0.46 -2.68 -0.01 0.00 0.02 0.00 0.00 35.03 32.82 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 5.83 -2.16 -4.37 1.64 0.28 -1.26 -4.96 120.64 115.64 2kh2 n GLU 64 Ca 0.20 0.64 -0.19 0.00 -0.16 0.00 0.00 57.16 57.65 2kh2 n GLU 64 Cb 0.31 -5.24 -0.14 0.00 1.43 0.00 0.00 31.44 27.80 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 -5.00 0.87 -0.02 3.44 1.02 -0.71 -5.02 119.74 114.31 2kh2 s LYS 65 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.40 2kh2 s LYS 65 Cb 0.00 -0.84 0.04 0.00 -0.52 0.00 0.00 37.83 36.51 2kh2 s LYS 65 CO 0.00 0.22 0.77 0.27 -0.92 0.00 0.00 175.35 175.69 2kh2 n ASN 66 N 2.26 2.03 -4.44 2.83 0.23 -1.26 -4.30 115.26 112.61 2kh2 n ASN 66 Ca -0.16 -2.06 -0.36 0.00 -0.53 0.00 0.00 54.58 51.46 2kh2 n ASN 66 Cb 0.55 -0.51 -0.13 0.00 -2.08 0.00 0.00 39.78 37.62 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 -0.15 3.40 0.13 -4.53 1.43 -1.26 -1.68 118.68 116.02 2kh2 s LEU 67 Ca 0.03 -0.21 0.09 0.00 -1.03 0.00 0.00 54.13 53.01 2kh2 s LEU 67 Cb 0.02 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 2kh2 s LEU 67 CO 0.01 -0.02 -0.20 -0.31 0.23 0.00 0.00 176.35 176.06 2kh2 s TYR 68 N 1.51 1.85 -0.17 0.29 1.51 -0.37 -1.16 117.35 120.82 2kh2 s TYR 68 Ca 0.06 -0.43 -0.29 0.00 -1.01 0.00 0.00 57.07 55.39 2kh2 s TYR 68 Cb -0.15 -0.98 -0.02 0.00 -0.11 0.00 0.00 41.96 40.71 2kh2 s TYR 68 CO 0.03 0.27 1.34 -0.51 -1.11 0.00 0.00 175.55 175.57 2kh2 s LEU 69 N -2.24 4.14 -0.12 -1.29 1.43 -0.56 -0.49 118.68 119.54 2kh2 s LEU 69 Ca 0.11 1.69 -0.01 0.00 -1.03 0.00 0.00 54.13 54.89 2kh2 s LEU 69 Cb -0.08 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 2kh2 s LEU 69 CO 0.05 -0.86 -0.10 -0.55 0.23 0.00 0.00 176.35 175.13 2kh2 s SER 70 N 2.40 4.30 -0.38 2.29 0.15 0.73 -4.42 113.70 118.76 2kh2 s SER 70 Ca 0.58 -0.22 -0.09 0.00 0.70 0.00 0.00 55.95 56.92 2kh2 s SER 70 Cb -0.23 -1.52 0.05 0.00 -1.71 0.00 0.00 66.02 62.61 2kh2 s SER 70 CO 0.18 0.21 0.20 0.00 1.20 0.00 0.00 173.24 175.04 2kh2 s VAL 72 N 1.47 0.20 -0.24 0.00 -7.23 -0.92 -4.63 120.40 109.05 2kh2 s VAL 72 Ca 0.01 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.04 2kh2 s VAL 72 Cb -0.21 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 2kh2 s VAL 72 CO 0.04 0.00 0.37 -0.76 -0.31 0.00 0.00 175.10 174.44 2kh2 s LEU 73 N -3.23 4.09 -0.15 1.32 1.43 -1.26 0.03 118.68 120.91 2kh2 s LEU 73 Ca 0.38 0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 53.85 2kh2 s LEU 73 Cb 0.07 -2.44 0.03 0.00 0.03 0.00 0.00 46.19 43.89 2kh2 s LEU 73 CO 0.13 -0.12 -0.08 -0.54 0.23 0.00 0.00 176.35 175.97 2kh2 s LYS 74 N 1.70 1.67 -0.99 1.70 1.02 0.04 -4.74 119.74 120.14 2kh2 s LYS 74 Ca 0.16 -0.50 -0.01 0.00 0.02 0.00 0.00 55.97 55.64 2kh2 s LYS 74 Cb -0.15 -1.97 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 2kh2 s LYS 74 CO 0.09 -0.36 0.83 -3.47 -0.92 0.00 0.00 175.35 171.52 2kh2 n ASP 75 N 4.85 -2.74 -3.16 2.83 4.64 -1.26 -2.77 116.55 118.93 2kh2 n ASP 75 Ca -0.13 -0.48 -0.22 0.00 -1.38 0.00 0.00 54.79 52.57 2kh2 n ASP 75 Cb 0.48 -4.20 0.01 0.00 -1.04 0.00 0.00 41.12 36.38 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 -2.59 -4.69 -3.72 1.67 9.92 -1.26 -4.97 116.55 110.91 2kh2 n ASP 76 Ca -0.18 -0.31 -0.12 0.00 -0.53 0.00 0.00 54.79 53.65 2kh2 n ASP 76 Cb 0.62 -3.84 -0.12 0.00 -0.64 0.00 0.00 41.12 37.14 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2kh2 s LYS 77 N -5.82 0.33 0.01 -1.24 2.47 -1.12 -5.12 119.74 109.25 2kh2 s LYS 77 Ca 0.33 0.63 -0.30 0.00 -1.56 0.00 0.00 55.97 55.08 2kh2 s LYS 77 Cb -0.17 -0.01 -0.09 0.00 -1.46 0.00 0.00 37.83 36.11 2kh2 s LYS 77 CO 0.41 -0.14 2.01 -2.14 0.16 0.00 0.00 175.35 175.65 2kh2 s PRO 78 N 1.09 4.02 0.02 4.03 0.02 -1.26 -0.78 135.00 142.15 2kh2 s PRO 78 Ca -0.07 2.56 0.06 0.00 0.02 0.00 0.00 61.00 63.56 2kh2 s PRO 78 Cb -0.08 -4.19 -0.02 0.00 0.02 0.00 0.00 34.50 30.23 2kh2 s PRO 78 CO -0.09 -1.09 -0.17 0.99 -0.33 0.00 0.00 177.00 176.32 2kh2 s THR 79 N 4.92 1.32 0.07 0.99 2.01 0.11 -4.74 115.64 120.32 2kh2 s THR 79 Ca 0.90 -0.91 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 2kh2 s THR 79 Cb -0.42 -1.14 -0.06 0.00 0.01 0.00 0.00 72.50 70.89 2kh2 s THR 79 CO 0.41 0.22 0.40 -0.22 -0.69 0.00 0.00 174.62 174.74 2kh2 s LEU 80 N -0.80 4.35 0.35 4.42 2.96 -1.26 -2.17 118.68 126.53 2kh2 s LEU 80 Ca 0.05 0.79 -0.17 0.00 -0.22 0.00 0.00 54.13 54.58 2kh2 s LEU 80 Cb -0.07 -2.96 0.04 0.00 0.50 0.00 0.00 46.19 43.70 2kh2 s LEU 80 CO 0.01 0.18 0.76 0.00 -1.32 0.00 0.00 176.35 175.98 2kh2 s GLN 81 N -1.88 2.09 -0.29 1.98 -2.07 -0.59 -4.90 119.66 114.00 2kh2 s GLN 81 Ca 0.33 -1.29 -0.07 0.00 -1.82 0.00 0.00 55.36 52.50 2kh2 s GLN 81 Cb -0.14 0.62 0.00 0.00 -1.09 0.00 0.00 33.01 32.40 2kh2 s GLN 81 CO 0.18 -0.97 0.09 -0.51 -1.32 0.00 0.00 175.29 172.76 2kh2 s LEU 82 N -3.02 3.81 -0.07 2.60 2.01 -1.26 -0.19 118.68 122.56 2kh2 s LEU 82 Ca 0.14 -0.61 -0.02 0.00 0.01 0.00 0.00 54.13 53.65 2kh2 s LEU 82 Cb -0.05 -1.90 -0.04 0.00 0.01 0.00 0.00 46.19 44.21 2kh2 s LEU 82 CO 0.10 -0.17 0.04 -0.70 1.01 0.00 0.00 176.35 176.63 2kh2 s GLU 83 N 1.53 3.06 -0.24 1.70 2.12 0.35 -4.89 118.70 122.33 2kh2 s GLU 83 Ca 0.03 -0.38 -0.14 0.00 0.36 0.00 0.00 54.97 54.84 2kh2 s GLU 83 Cb -0.17 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 2kh2 s GLU 83 CO 0.03 0.70 0.33 -1.12 -0.54 0.00 0.00 175.26 174.67 2kh2 s SER 84 N -1.08 6.29 0.34 -1.70 0.01 -1.26 -1.23 113.70 115.07 2kh2 s SER 84 Ca 0.15 0.33 0.09 0.00 1.31 0.00 0.00 55.95 57.83 2kh2 s SER 84 Cb -0.12 -2.19 -0.06 0.00 0.21 0.00 0.00 66.02 63.86 2kh2 s SER 84 CO 0.05 -0.09 -0.08 0.68 0.41 0.00 0.00 173.24 174.21 2kh2 s VAL 85 N 1.57 2.10 -0.14 3.43 -7.23 -0.68 -5.04 120.40 114.41 2kh2 s VAL 85 Ca 0.15 -2.17 -0.29 0.00 -1.81 0.00 0.00 61.98 57.86 2kh2 s VAL 85 Cb -0.15 -2.65 -0.06 0.00 0.56 0.00 0.00 36.38 34.08 2kh2 s VAL 85 CO 0.08 -0.20 2.12 -0.62 -0.31 0.00 0.00 175.10 176.17 2kh2 s ASP 86 N -3.59 5.80 0.59 4.85 3.68 -1.26 -4.82 116.67 121.92 2kh2 s ASP 86 Ca 0.32 2.12 0.30 0.00 2.13 0.00 0.00 52.55 57.42 2kh2 s ASP 86 Cb 0.03 -2.52 1.81 0.00 -1.45 0.00 0.00 42.92 40.80 2kh2 s ASP 86 CO 0.16 -1.65 2.24 1.55 0.13 0.00 0.00 175.17 177.60 2kh2 h PRO 87 N 13.50 0.00 0.00 4.34 0.13 -1.92 -1.62 132.00 146.43 2kh2 h PRO 87 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.96 0.01 -0.75 1.57 -0.23 0.00 0.00 178.00 179.56 2kh2 h LYS 88 N 0.00 0.00 -0.21 0.86 2.10 -2.01 -3.31 116.57 114.00 2kh2 h LYS 88 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kh2 h LYS 88 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2kh2 h LYS 88 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 2kh2 n ASN 89 N -2.40 3.13 -4.09 7.07 3.02 -0.66 -4.95 115.26 116.38 2kh2 n ASN 89 Ca 0.02 -1.95 -0.14 0.00 -0.03 0.00 0.00 54.58 52.48 2kh2 n ASN 89 Cb 0.49 -0.13 -0.11 0.00 -0.61 0.00 0.00 39.78 39.42 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 -1.62 0.79 0.63 3.10 1.51 -0.91 -4.60 117.35 116.26 2kh2 s TYR 90 Ca 0.32 -0.53 -0.04 0.00 -1.01 0.00 0.00 57.07 55.81 2kh2 s TYR 90 Cb 0.20 -0.46 0.13 0.00 -0.11 0.00 0.00 41.96 41.72 2kh2 s TYR 90 CO 0.29 -0.06 0.86 -0.35 -1.11 0.00 0.00 175.55 175.18 2kh2 n PRO 91 N 1.29 -0.29 -3.93 -1.71 -0.04 -1.26 -4.82 135.00 124.24 2kh2 n PRO 91 Ca -0.22 -1.96 -0.10 0.00 -0.04 0.00 0.00 63.50 61.19 2kh2 n PRO 91 Cb 0.55 -0.70 -0.06 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 -4.76 1.20 0.03 0.54 -2.85 -1.26 -5.08 119.74 107.56 2kh2 s LYS 92 Ca 0.54 -1.13 -0.23 0.00 -1.00 0.00 0.00 55.97 54.15 2kh2 s LYS 92 Cb -0.02 0.40 -0.16 0.00 -2.06 0.00 0.00 37.83 35.98 2kh2 s LYS 92 CO 0.37 -0.45 1.41 -0.22 0.10 0.00 0.00 175.35 176.55 2kh2 h LYS 93 N 2.48 0.13 -3.80 1.78 3.64 -1.99 -3.36 116.57 115.46 2kh2 h LYS 93 Ca -0.31 -0.05 -0.79 0.00 -1.27 0.00 0.00 60.65 58.23 2kh2 h LYS 93 Cb 1.23 -0.01 -0.26 0.00 -0.41 0.00 0.00 32.23 32.78 2kh2 h LYS 93 CO 0.46 0.46 0.31 0.21 -2.27 0.00 0.00 179.45 178.62 2kh2 s LYS 94 N -4.75 3.87 0.76 1.90 2.47 -1.26 -1.80 119.74 120.93 2kh2 s LYS 94 Ca -0.15 -2.75 -0.11 0.00 -1.56 0.00 0.00 55.97 51.40 2kh2 s LYS 94 Cb 0.04 -4.52 0.06 0.00 -1.46 0.00 0.00 37.83 31.95 2kh2 s LYS 94 CO 0.70 -1.30 1.12 -1.64 0.16 0.00 0.00 175.35 174.38 2kh2 s MET 95 N -0.28 2.24 0.57 4.03 -1.94 -1.26 -5.02 119.30 117.64 2kh2 s MET 95 Ca 0.25 0.12 -0.20 0.00 -1.71 0.00 0.00 55.69 54.15 2kh2 s MET 95 Cb -0.10 -2.02 -0.04 0.00 2.01 0.00 0.00 34.83 34.68 2kh2 s MET 95 CO -0.08 -1.38 1.22 -1.21 -0.01 0.00 0.00 175.02 173.56 2kh2 s GLU 96 N -5.45 3.10 0.56 2.03 8.01 -1.26 -4.85 118.70 120.84 2kh2 s GLU 96 Ca 0.60 1.88 0.27 0.00 0.01 0.00 0.00 54.97 57.73 2kh2 s GLU 96 Cb -0.11 -2.03 1.49 0.00 -4.31 0.00 0.00 34.13 29.16 2kh2 s GLU 96 CO 0.49 -1.12 2.02 -0.22 0.01 0.00 0.00 175.26 176.43 2kh2 h LYS 97 N 1.12 0.00 0.00 1.61 1.63 -1.95 0.17 116.57 119.14 2kh2 h LYS 97 Ca -0.50 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 2kh2 h LYS 97 Cb 1.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2kh2 h LYS 97 CO 0.56 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 179.45 2kh2 n ARG 98 N -4.08 0.31 -0.02 1.90 1.85 -1.26 -2.90 116.66 112.46 2kh2 n ARG 98 Ca 0.06 0.03 0.02 0.00 -1.00 0.00 0.00 57.85 56.97 2kh2 n ARG 98 Cb 0.51 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.45 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 -1.33 0.06 -3.60 2.89 3.72 0.56 -0.75 117.46 119.02 2kh2 n PHE 99 Ca 0.12 -0.20 -0.38 0.00 -0.05 0.00 0.00 57.45 56.93 2kh2 n PHE 99 Cb 0.23 -0.02 -0.11 0.00 -0.94 0.00 0.00 39.48 38.64 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 -0.58 5.17 0.08 -4.37 1.01 -1.07 -4.18 120.40 116.46 2kh2 s VAL 100 Ca 0.06 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.14 2kh2 s VAL 100 Cb 0.03 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2kh2 s VAL 100 CO 0.05 0.22 -0.02 -0.36 0.00 0.00 0.00 175.10 174.98 2kh2 s PHE 101 N 1.73 2.94 -0.44 5.22 0.08 0.28 -2.56 117.98 125.23 2kh2 s PHE 101 Ca 0.07 -0.04 -0.09 0.00 0.12 0.00 0.00 56.93 56.98 2kh2 s PHE 101 Cb -0.16 -1.53 0.09 0.00 -0.57 0.00 0.00 43.02 40.85 2kh2 s PHE 101 CO 0.10 0.46 0.29 1.21 -0.10 0.00 0.00 175.22 177.18 2kh2 s ASN 102 N -2.20 5.66 -0.63 1.36 3.04 0.27 -0.60 114.94 121.84 2kh2 s ASN 102 Ca 0.24 -1.63 -0.28 0.00 0.04 0.00 0.00 52.86 51.23 2kh2 s ASN 102 Cb -0.12 -2.00 0.03 0.00 -1.54 0.00 0.00 41.25 37.63 2kh2 s ASN 102 CO 0.16 -0.59 1.20 -0.75 -3.04 0.00 0.00 177.10 174.09 2kh2 s LYS 103 N 1.41 3.39 0.28 0.43 2.20 0.73 -0.93 119.74 127.25 2kh2 s LYS 103 Ca 0.04 0.04 -0.18 0.00 -0.36 0.00 0.00 55.97 55.51 2kh2 s LYS 103 Cb -0.24 -4.07 -0.09 0.00 -1.51 0.00 0.00 37.83 31.92 2kh2 s LYS 103 CO 0.01 -1.83 0.75 0.42 -0.36 0.00 0.00 175.35 174.35 2kh2 s ILE 104 N 5.14 4.59 -1.05 5.43 1.01 -0.26 -1.05 121.20 135.02 2kh2 s ILE 104 Ca 0.39 1.18 -0.06 0.00 0.00 0.00 0.00 60.65 62.16 2kh2 s ILE 104 Cb -0.08 -3.74 0.28 0.00 0.01 0.00 0.00 42.46 38.93 2kh2 s ILE 104 CO 0.21 -0.00 1.16 -0.62 0.00 0.00 0.00 174.94 175.69 2kh2 n GLU 105 N 0.15 3.63 0.36 2.79 -0.58 -1.05 -2.50 120.64 123.44 2kh2 n GLU 105 Ca 0.01 -4.50 -0.16 0.00 -0.42 0.00 0.00 57.16 52.09 2kh2 n GLU 105 Cb 0.52 -2.50 -0.08 0.00 -0.57 0.00 0.00 31.44 28.81 2kh2 n GLU 105 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2kh2 h ILE 106 N 3.62 0.20 0.00 -3.67 3.07 -1.93 -3.49 117.51 115.31 2kh2 h ILE 106 Ca 0.18 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.35 2kh2 h ILE 106 Cb 0.77 0.25 0.00 0.00 -0.27 0.00 0.00 36.82 37.57 2kh2 h ILE 106 CO 1.08 0.02 0.00 -0.46 -1.05 0.00 0.00 178.15 177.74 2kh2 n ASN 107 N -5.42 0.00 0.05 2.16 0.23 -1.26 -5.00 115.26 106.02 2kh2 n ASN 107 Ca -0.13 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.82 2kh2 n ASN 107 Cb 0.38 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.95 2kh2 n ASN 107 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 2kh2 h ASN 108 N 0.00 0.13 -1.71 0.53 2.35 -1.99 -3.46 115.58 111.44 2kh2 h ASN 108 Ca 0.00 -0.16 -0.45 0.00 -0.55 0.00 0.00 56.30 55.13 2kh2 h ASN 108 Cb 0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2kh2 h ASN 108 CO 0.00 1.13 -0.35 -1.59 -1.65 0.00 0.00 177.43 174.97 2kh2 s LYS 109 N -2.66 2.91 0.15 0.81 0.00 -1.26 -4.98 119.74 114.71 2kh2 s LYS 109 Ca -0.03 -1.18 0.10 0.00 0.00 0.00 0.00 55.97 54.86 2kh2 s LYS 109 Cb 0.09 -2.68 -0.04 0.00 0.00 0.00 0.00 37.83 35.19 2kh2 s LYS 109 CO 0.84 -0.02 -0.19 -0.51 0.00 0.00 0.00 175.35 175.47 2kh2 s LEU 110 N -4.16 2.65 0.09 2.77 1.43 0.06 -3.94 118.68 117.58 2kh2 s LEU 110 Ca 0.46 -0.66 0.08 0.00 -1.03 0.00 0.00 54.13 52.98 2kh2 s LEU 110 Cb -0.08 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 2kh2 s LEU 110 CO 0.30 0.15 -0.14 -1.61 0.23 0.00 0.00 176.35 175.27 2kh2 s GLU 111 N -2.42 2.00 -0.44 1.70 2.02 -1.04 -0.97 118.70 119.55 2kh2 s GLU 111 Ca 0.20 -1.06 0.02 0.00 0.02 0.00 0.00 54.97 54.15 2kh2 s GLU 111 Cb -0.09 -2.22 0.12 0.00 0.10 0.00 0.00 34.13 32.03 2kh2 s GLU 111 CO 0.11 0.51 0.18 -0.06 0.02 0.00 0.00 175.26 176.02 2kh2 s PHE 112 N -1.12 3.51 0.18 1.61 0.08 -1.26 -1.10 117.98 119.87 2kh2 s PHE 112 Ca 0.19 -2.96 -0.11 0.00 0.12 0.00 0.00 56.93 54.17 2kh2 s PHE 112 Cb -0.11 -2.96 -0.07 0.00 -0.57 0.00 0.00 43.02 39.31 2kh2 s PHE 112 CO 0.10 -0.87 0.51 -2.00 -0.10 0.00 0.00 175.22 172.87 2kh2 s GLU 113 N 0.43 3.83 -0.08 0.44 2.12 -0.11 -1.39 118.70 123.94 2kh2 s GLU 113 Ca 0.13 0.30 -0.22 0.00 0.36 0.00 0.00 54.97 55.54 2kh2 s GLU 113 Cb -0.22 -2.80 -0.04 0.00 0.26 0.00 0.00 34.13 31.34 2kh2 s GLU 113 CO -0.04 0.41 0.63 0.45 -0.54 0.00 0.00 175.26 176.17 2kh2 s SER 114 N -2.09 6.90 0.24 -1.70 0.15 -0.02 0.95 113.70 118.13 2kh2 s SER 114 Ca 0.42 1.08 -0.01 0.00 0.70 0.00 0.00 55.95 58.14 2kh2 s SER 114 Cb -0.13 -2.37 0.27 0.00 -1.71 0.00 0.00 66.02 62.08 2kh2 s SER 114 CO 0.20 -0.08 1.65 0.00 1.20 0.00 0.00 173.24 176.21 2kh2 h ALA 115 N 6.75 0.94 -0.46 5.45 0.00 -1.76 -2.99 119.26 127.19 2kh2 h ALA 115 Ca -0.41 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.03 2kh2 h ALA 115 Cb 1.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2kh2 h ALA 115 CO 0.75 0.61 -0.01 0.37 0.00 0.00 0.00 179.25 180.98 2kh2 h GLN 116 N 0.50 0.82 -4.00 0.00 5.75 -1.78 -3.39 115.11 113.01 2kh2 h GLN 116 Ca 0.06 -0.27 -0.64 0.00 -0.15 0.00 0.00 58.65 57.66 2kh2 h GLN 116 Cb 0.78 -0.07 -0.40 0.00 1.07 0.00 0.00 27.48 28.86 2kh2 h GLN 116 CO 0.06 0.88 -0.70 -0.06 -2.65 0.00 0.00 178.83 176.36 2kh2 s PHE 117 N -4.99 3.14 0.50 3.99 0.08 -1.13 -5.11 117.98 114.46 2kh2 s PHE 117 Ca -0.13 -2.82 -0.23 0.00 0.12 0.00 0.00 56.93 53.88 2kh2 s PHE 117 Cb 0.11 -2.62 -0.06 0.00 -0.57 0.00 0.00 43.02 39.87 2kh2 s PHE 117 CO 0.81 -0.87 1.33 -2.14 -0.10 0.00 0.00 175.22 174.25 2kh2 s PRO 118 N 0.62 3.45 0.00 0.24 0.02 -1.21 -2.48 135.00 135.65 2kh2 s PRO 118 Ca 0.13 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.32 2kh2 s PRO 118 Cb -0.21 -2.41 0.00 0.00 0.02 0.00 0.00 34.50 31.89 2kh2 s PRO 118 CO -0.07 -0.92 0.00 0.09 -0.33 0.00 0.00 177.00 175.76 2kh2 n ASN 119 N -0.64 -0.42 -4.38 2.53 4.13 -1.26 -5.00 115.26 110.21 2kh2 n ASN 119 Ca 0.08 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.99 2kh2 n ASN 119 Cb 0.45 -0.25 -0.13 0.00 -1.54 0.00 0.00 39.78 38.31 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2kh2 s TRP 120 N -3.55 3.01 0.27 3.10 0.52 -1.04 -4.46 118.94 116.79 2kh2 s TRP 120 Ca 0.00 -0.66 0.12 0.00 0.02 0.00 0.00 56.10 55.57 2kh2 s TRP 120 Cb 0.00 -2.12 -0.05 0.00 -1.15 0.00 0.00 33.47 30.15 2kh2 s TRP 120 CO 0.00 -0.40 -0.20 0.71 0.02 0.00 0.00 176.95 177.08 2kh2 s TYR 121 N 1.33 2.27 -0.33 -1.98 1.51 -0.04 -0.84 117.35 119.27 2kh2 s TYR 121 Ca 0.04 -0.34 -0.29 0.00 -1.01 0.00 0.00 57.07 55.47 2kh2 s TYR 121 Cb -0.15 -1.00 -0.01 0.00 -0.11 0.00 0.00 41.96 40.70 2kh2 s TYR 121 CO 0.00 0.68 1.65 0.42 -1.11 0.00 0.00 175.55 177.19 2kh2 s ILE 122 N -2.44 3.65 0.20 2.71 1.01 -0.49 -0.55 121.20 125.29 2kh2 s ILE 122 Ca 0.29 0.68 0.08 0.00 0.00 0.00 0.00 60.65 61.69 2kh2 s ILE 122 Cb -0.05 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 2kh2 s ILE 122 CO 0.14 -0.48 0.00 -0.44 0.00 0.00 0.00 174.94 174.17 2kh2 s SER 123 N 5.05 4.72 0.13 3.58 0.01 0.35 -4.59 113.70 122.95 2kh2 s SER 123 Ca 0.73 -0.47 0.06 0.00 1.31 0.00 0.00 55.95 57.58 2kh2 s SER 123 Cb -0.21 -0.97 -0.04 0.00 0.21 0.00 0.00 66.02 65.01 2kh2 s SER 123 CO 0.32 0.06 -0.13 0.42 0.41 0.00 0.00 173.24 174.32 2kh2 s THR 124 N -1.91 1.33 0.55 1.44 -4.23 -0.89 -2.48 115.64 109.46 2kh2 s THR 124 Ca 0.29 -1.81 -0.08 0.00 -1.18 0.00 0.00 61.69 58.91 2kh2 s THR 124 Cb -0.08 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 72.10 2kh2 s THR 124 CO 0.19 -0.48 0.91 -0.44 -0.54 0.00 0.00 174.62 174.25 2kh2 s SER 125 N -2.63 6.25 0.19 3.99 0.01 -1.26 -1.15 113.70 119.10 2kh2 s SER 125 Ca 0.11 1.18 0.26 0.00 1.31 0.00 0.00 55.95 58.81 2kh2 s SER 125 Cb -0.03 -2.36 0.73 0.00 0.21 0.00 0.00 66.02 64.57 2kh2 s SER 125 CO 0.03 -0.72 1.69 0.00 0.41 0.00 0.00 173.24 174.65 2kh2 n GLN 126 N -2.50 0.26 -2.02 12.44 1.13 -1.26 -4.84 117.38 120.59 2kh2 n GLN 126 Ca 0.03 0.19 -0.28 0.00 -1.94 0.00 0.00 57.00 55.00 2kh2 n GLN 126 Cb 0.55 -1.78 0.06 0.00 0.11 0.00 0.00 30.24 29.18 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 -3.11 2.93 0.09 -1.58 0.00 -1.26 -5.06 121.76 113.76 2kh2 s ALA 127 Ca 0.10 -0.60 -0.15 0.00 0.00 0.00 0.00 51.96 51.31 2kh2 s ALA 127 Cb 0.13 -2.87 -0.06 0.00 0.00 0.00 0.00 23.12 20.32 2kh2 s ALA 127 CO 0.62 -1.29 0.50 -2.00 0.00 0.00 0.00 175.76 173.60 2kh2 s GLU 128 N -5.35 4.00 -1.15 0.00 2.56 -1.26 -4.20 118.70 113.30 2kh2 s GLU 128 Ca 0.59 0.50 -0.02 0.00 0.00 0.00 0.00 54.97 56.04 2kh2 s GLU 128 Cb -0.11 -3.08 0.00 0.00 2.00 0.00 0.00 34.13 32.94 2kh2 s GLU 128 CO 0.49 0.58 0.30 -1.71 -0.56 0.00 0.00 175.26 174.35 2kh2 n ASN 129 N 1.28 -4.68 -4.88 -1.70 5.15 -1.19 -5.01 115.26 104.23 2kh2 n ASN 129 Ca -0.09 -0.14 -0.34 0.00 -0.60 0.00 0.00 54.58 53.40 2kh2 n ASN 129 Cb 0.52 -3.63 -0.06 0.00 -0.53 0.00 0.00 39.78 36.08 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 -5.16 3.38 0.99 1.20 -1.94 -1.20 -4.88 119.30 111.70 2kh2 s MET 130 Ca 0.15 -0.29 -0.12 0.00 -1.71 0.00 0.00 55.69 53.72 2kh2 s MET 130 Cb -0.06 -3.09 0.18 0.00 2.01 0.00 0.00 34.83 33.87 2kh2 s MET 130 CO 0.18 0.70 1.09 -2.14 -0.01 0.00 0.00 175.02 174.85 2kh2 s PRO 131 N -1.61 0.48 -0.15 2.03 0.02 -1.26 -0.47 135.00 134.04 2kh2 s PRO 131 Ca 0.23 0.52 -0.06 0.00 0.02 0.00 0.00 61.00 61.71 2kh2 s PRO 131 Cb -0.12 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 2kh2 s PRO 131 CO 0.13 -2.70 0.06 0.08 -0.33 0.00 0.00 177.00 174.24 2kh2 s VAL 132 N -2.97 4.75 0.35 3.83 1.01 -0.36 -4.42 120.40 122.59 2kh2 s VAL 132 Ca 0.65 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.59 2kh2 s VAL 132 Cb -0.18 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 2kh2 s VAL 132 CO 0.57 0.53 0.41 2.22 0.00 0.00 0.00 175.10 178.84 2kh2 n PHE 133 N 2.90 -1.21 -3.41 5.22 1.16 -1.03 -4.86 117.46 116.23 2kh2 n PHE 133 Ca -0.18 -2.63 -0.37 0.00 -1.87 0.00 0.00 57.45 52.40 2kh2 n PHE 133 Cb 0.53 0.46 -0.07 0.00 -1.61 0.00 0.00 39.48 38.79 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 4.24 0.12 5.98 2.96 -1.26 -0.49 118.68 130.23 2kh2 s LEU 134 Ca 0.35 0.65 0.05 0.00 -0.22 0.00 0.00 54.13 54.96 2kh2 s LEU 134 Cb 0.00 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 2kh2 s LEU 134 CO 0.25 0.03 -0.13 -0.83 -1.32 0.00 0.00 176.35 174.35 2kh2 s GLY 135 N 0.63 1.04 -0.06 7.98 0.00 0.28 -4.86 107.32 112.34 2kh2 s GLY 135 Ca 0.21 -1.30 0.11 0.00 0.00 0.00 0.00 44.72 43.74 2kh2 s GLY 135 CO 0.07 -1.37 1.24 0.61 0.00 0.00 0.00 173.10 173.65 2kh2 n GLY 136 N 0.43 3.35 2.63 0.20 0.00 -1.26 -0.86 105.19 109.67 2kh2 n GLY 136 Ca -0.15 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 2kh2 n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kh2 n THR 137 N -0.14 5.48 -1.68 2.61 -2.24 -1.26 -4.96 114.28 112.07 2kh2 n THR 137 Ca 0.12 -5.08 -0.43 0.00 -2.27 0.00 0.00 64.05 56.40 2kh2 n THR 137 Cb 0.53 -1.92 -0.03 0.00 -2.10 0.00 0.00 70.33 66.81 2kh2 n THR 137 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kh2 s LYS 138 N -2.28 3.31 0.00 -0.78 2.20 -1.26 -1.26 119.74 119.67 2kh2 s LYS 138 Ca 0.45 2.02 0.00 0.00 -0.36 0.00 0.00 55.97 58.08 2kh2 s LYS 138 Cb 0.16 -4.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.17 2kh2 s LYS 138 CO -0.08 -1.90 0.00 0.41 -0.36 0.00 0.00 175.35 173.43 2kh2 n GLY 139 N 5.52 0.47 0.00 5.54 0.00 -1.26 -5.04 105.19 110.42 2kh2 n GLY 139 Ca 0.27 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.19 0.57 0.14 -0.02 0.00 -0.39 -5.01 105.19 98.30 2kh2 n GLY 140 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 0.41 -7.28 1.61 7.50 -1.97 -3.47 115.11 111.92 2kh2 h GLN 141 Ca 0.00 -0.70 -0.50 0.00 0.50 0.00 0.00 58.65 57.95 2kh2 h GLN 141 Cb 0.00 0.26 0.17 0.00 0.05 0.00 0.00 27.48 27.96 2kh2 h GLN 141 CO 0.00 1.34 0.22 -0.51 -1.50 0.00 0.00 178.83 178.38 2kh2 s ASP 142 N -7.32 3.17 -0.35 1.46 1.01 -1.26 -4.69 116.67 108.69 2kh2 s ASP 142 Ca -0.14 1.82 -0.14 0.00 0.71 0.00 0.00 52.55 54.80 2kh2 s ASP 142 Cb 0.04 -2.41 -0.01 0.00 1.01 0.00 0.00 42.92 41.55 2kh2 s ASP 142 CO 0.87 -2.88 0.28 -0.63 0.21 0.00 0.00 175.17 173.02 2kh2 s ILE 143 N -2.76 5.25 -1.07 0.77 1.01 -0.30 -4.69 121.20 119.41 2kh2 s ILE 143 Ca 0.65 -0.17 0.14 0.00 0.00 0.00 0.00 60.65 61.27 2kh2 s ILE 143 Cb -0.20 -3.76 -0.07 0.00 0.01 0.00 0.00 42.46 38.44 2kh2 s ILE 143 CO 0.58 -0.06 0.72 0.35 0.00 0.00 0.00 174.94 176.54 2kh2 n THR 144 N 5.15 0.00 -4.32 2.92 -2.24 -1.26 -2.09 114.28 112.44 2kh2 n THR 144 Ca -0.11 -0.27 -0.35 0.00 -2.27 0.00 0.00 64.05 61.04 2kh2 n THR 144 Cb 0.49 1.10 -0.09 0.00 -2.10 0.00 0.00 70.33 69.73 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 -2.01 5.34 0.23 3.42 -4.77 -1.26 -4.35 116.67 113.27 2kh2 s ASP 145 Ca 0.09 0.17 0.01 0.00 -3.30 0.00 0.00 52.55 49.52 2kh2 s ASP 145 Cb 0.11 -1.54 -0.04 0.00 -1.09 0.00 0.00 42.92 40.36 2kh2 s ASP 145 CO 0.46 0.37 0.15 -0.36 0.70 0.00 0.00 175.17 176.49 2kh2 s PHE 146 N -0.85 1.30 0.10 2.11 0.08 -0.15 -4.10 117.98 116.48 2kh2 s PHE 146 Ca 0.13 -1.40 0.08 0.00 0.12 0.00 0.00 56.93 55.87 2kh2 s PHE 146 Cb -0.11 -0.63 -0.04 0.00 -0.57 0.00 0.00 43.02 41.66 2kh2 s PHE 146 CO 0.02 -0.63 -0.17 0.95 -0.10 0.00 0.00 175.22 175.30 2kh2 s THR 147 N -3.99 2.94 -0.84 0.64 -4.23 0.27 -0.76 115.64 109.65 2kh2 s THR 147 Ca 0.39 -1.42 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 2kh2 s THR 147 Cb 0.06 -2.34 0.33 0.00 1.34 0.00 0.00 72.50 71.89 2kh2 s THR 147 CO 0.15 0.13 1.45 0.80 -0.54 0.00 0.00 174.62 176.61 2kh2 n MET 148 N 0.88 4.50 -1.67 3.99 1.56 -1.26 -3.29 117.12 121.83 2kh2 n MET 148 Ca -0.15 -4.75 -0.43 0.00 -0.27 0.00 0.00 57.70 52.10 2kh2 n MET 148 Cb 0.53 -2.38 -0.03 0.00 2.15 0.00 0.00 33.22 33.49 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 -3.92 3.37 0.18 2.12 1.11 -1.22 -4.78 119.66 116.51 2kh2 s GLN 149 Ca 0.43 2.08 -0.30 0.00 0.01 0.00 0.00 55.36 57.58 2kh2 s GLN 149 Cb 0.22 -4.31 -0.08 0.00 -1.01 0.00 0.00 33.01 27.84 2kh2 s GLN 149 CO -0.13 -1.83 1.04 0.12 0.01 0.00 0.00 175.29 174.50 2kh2 s PHE 150 N 7.33 3.71 0.52 0.91 2.19 -1.26 -0.50 117.98 130.88 2kh2 s PHE 150 Ca 0.95 1.71 0.07 0.00 0.33 0.00 0.00 56.93 59.99 2kh2 s PHE 150 Cb -0.34 -3.18 0.04 0.00 -1.31 0.00 0.00 43.02 38.24 2kh2 s PHE 150 CO 0.36 -0.24 0.52 0.14 1.83 0.00 0.00 175.22 177.83 2kh2 s VAL 151 N -0.39 2.05 -1.18 3.12 -7.23 -1.21 -4.94 120.40 110.62 2kh2 s VAL 151 Ca 0.47 -1.30 -0.19 0.00 -1.81 0.00 0.00 61.98 59.15 2kh2 s VAL 151 Cb -0.28 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 2kh2 s VAL 151 CO 0.34 0.00 1.94 -1.20 -0.31 0.00 0.00 175.10 175.87 2kh2 n SER 152 N -1.86 3.65 0.00 4.85 7.64 -1.26 -4.92 113.62 121.72 2kh2 n SER 152 Ca 0.05 -2.79 0.00 0.00 1.01 0.00 0.00 58.87 57.14 2kh2 n SER 152 Cb 0.63 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83