#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 0.87 -5.95 0.00 0.11 -2.07 -3.43 132.00 121.52 2kh2 h PRO 2 Ca 0.00 -0.17 -0.52 0.00 0.11 0.00 0.00 66.00 65.42 2kh2 h PRO 2 Cb 0.00 -0.13 -0.21 0.00 0.11 0.00 0.00 31.00 30.76 2kh2 h PRO 2 CO 0.00 0.76 -0.81 0.54 -0.21 0.00 0.00 178.00 178.28 2kh2 s VAL 3 N -5.49 1.58 0.35 3.15 0.11 -1.26 -5.14 120.40 113.70 2kh2 s VAL 3 Ca -0.13 -1.52 0.09 0.00 -2.93 0.00 0.00 61.98 57.50 2kh2 s VAL 3 Cb 0.13 -1.47 -0.06 0.00 -1.53 0.00 0.00 36.38 33.45 2kh2 s VAL 3 CO 0.79 -0.12 -0.02 -0.13 -3.33 0.00 0.00 175.10 172.29 2kh2 s ARG 4 N -1.94 1.97 -0.01 1.54 3.00 -1.26 -5.11 118.95 117.14 2kh2 s ARG 4 Ca 0.05 -1.86 -0.18 0.00 0.00 0.00 0.00 55.73 53.74 2kh2 s ARG 4 Cb -0.10 -1.82 0.03 0.00 0.00 0.00 0.00 34.95 33.07 2kh2 s ARG 4 CO 0.04 0.11 0.39 -1.54 0.00 0.00 0.00 175.30 174.30 2kh2 s SER 5 N -3.68 -0.29 0.25 0.23 1.04 -1.26 -4.00 113.70 105.99 2kh2 s SER 5 Ca 0.34 0.19 0.11 0.00 0.48 0.00 0.00 55.95 57.07 2kh2 s SER 5 Cb 0.02 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 2kh2 s SER 5 CO 0.18 -0.51 -0.19 -0.76 0.98 0.00 0.00 173.24 172.94 2kh2 s LEU 6 N -1.40 2.56 -0.08 2.42 1.02 -1.04 -4.94 118.68 117.22 2kh2 s LEU 6 Ca -0.12 -1.01 0.01 0.00 0.02 0.00 0.00 54.13 53.03 2kh2 s LEU 6 Cb -0.04 -1.01 -0.03 0.00 0.02 0.00 0.00 46.19 45.14 2kh2 s LEU 6 CO 0.04 0.00 -0.10 0.20 0.02 0.00 0.00 176.35 176.52 2kh2 s ASN 7 N -3.37 4.34 0.17 2.29 0.01 -1.26 -0.18 114.94 116.94 2kh2 s ASN 7 Ca 0.27 -0.15 -0.17 0.00 -0.71 0.00 0.00 52.86 52.10 2kh2 s ASN 7 Cb -0.04 -1.22 0.03 0.00 0.41 0.00 0.00 41.25 40.42 2kh2 s ASN 7 CO 0.13 0.30 0.48 0.00 -1.51 0.00 0.00 177.10 176.49 2kh2 s THR 9 N -3.85 3.85 -0.12 0.00 2.01 0.22 -0.30 115.64 117.45 2kh2 s THR 9 Ca 0.08 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.48 2kh2 s THR 9 Cb 0.00 -2.66 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 2kh2 s THR 9 CO -0.06 0.46 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.40 2kh2 s LEU 10 N -1.25 2.49 0.05 4.42 1.43 -1.26 -1.60 118.68 122.95 2kh2 s LEU 10 Ca 0.16 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 2kh2 s LEU 10 Cb -0.11 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 2kh2 s LEU 10 CO 0.06 0.17 -0.11 -0.13 0.23 0.00 0.00 176.35 176.58 2kh2 s ARG 11 N 0.30 0.66 0.90 1.70 0.52 -1.04 -4.06 118.95 117.93 2kh2 s ARG 11 Ca -0.13 -0.80 -0.12 0.00 -0.52 0.00 0.00 55.73 54.16 2kh2 s ARG 11 Cb -0.16 -0.55 0.18 0.00 0.52 0.00 0.00 34.95 34.94 2kh2 s ARG 11 CO 0.07 0.12 1.23 0.16 0.02 0.00 0.00 175.30 176.89 2kh2 s ASP 12 N -1.53 3.45 0.00 0.23 -4.77 -0.59 -0.73 116.67 112.72 2kh2 s ASP 12 Ca -0.06 0.07 0.25 0.00 -3.30 0.00 0.00 52.55 49.51 2kh2 s ASP 12 Cb -0.09 -0.20 1.47 0.00 -1.09 0.00 0.00 42.92 43.00 2kh2 s ASP 12 CO 0.01 -2.50 1.83 -1.20 0.70 0.00 0.00 175.17 174.02 2kh2 n SER 13 N -3.51 0.00 -0.86 2.11 7.64 -1.25 -2.65 113.62 115.09 2kh2 n SER 13 Ca 0.15 -0.79 0.07 0.00 1.01 0.00 0.00 58.87 59.32 2kh2 n SER 13 Cb 0.60 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 64.02 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 -0.99 3.01 -1.77 1.43 1.13 -1.26 -4.94 117.38 113.99 2kh2 n GLN 14 Ca 0.18 -2.53 -0.12 0.00 -1.94 0.00 0.00 57.00 52.59 2kh2 n GLN 14 Cb 0.08 -1.62 -0.03 0.00 0.11 0.00 0.00 30.24 28.78 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 0.05 -0.91 -3.62 -1.09 1.13 -1.08 -4.94 117.38 106.92 2kh2 n GLN 15 Ca 0.18 0.77 -0.31 0.00 -1.94 0.00 0.00 57.00 55.70 2kh2 n GLN 15 Cb 0.71 -4.87 -0.05 0.00 0.11 0.00 0.00 30.24 26.14 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 -3.78 3.66 0.23 -1.09 1.02 -1.26 -3.95 119.74 114.56 2kh2 s LYS 16 Ca 0.00 -0.01 0.09 0.00 0.02 0.00 0.00 55.97 56.07 2kh2 s LYS 16 Cb 0.00 -2.80 -0.05 0.00 -0.52 0.00 0.00 37.83 34.46 2kh2 s LYS 16 CO 0.00 0.43 -0.16 -1.12 -0.92 0.00 0.00 175.35 173.58 2kh2 s SER 17 N -2.43 2.89 -0.15 2.83 0.01 0.11 -1.54 113.70 115.42 2kh2 s SER 17 Ca 0.42 -1.03 -0.22 0.00 1.31 0.00 0.00 55.95 56.44 2kh2 s SER 17 Cb -0.12 -0.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 2kh2 s SER 17 CO 0.24 -0.11 0.65 -0.76 0.41 0.00 0.00 173.24 173.67 2kh2 s LEU 18 N -3.38 4.21 0.08 2.44 1.43 -1.26 -1.48 118.68 120.72 2kh2 s LEU 18 Ca 0.25 0.95 0.10 0.00 -1.03 0.00 0.00 54.13 54.40 2kh2 s LEU 18 Cb -0.02 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.22 2kh2 s LEU 18 CO 0.09 -0.21 -0.26 0.68 0.23 0.00 0.00 176.35 176.89 2kh2 s VAL 19 N 1.50 2.10 -0.57 -1.59 -7.23 0.70 -3.40 120.40 111.90 2kh2 s VAL 19 Ca 0.31 -1.53 -0.28 0.00 -1.81 0.00 0.00 61.98 58.68 2kh2 s VAL 19 Cb -0.16 -1.83 0.02 0.00 0.56 0.00 0.00 36.38 34.97 2kh2 s VAL 19 CO 0.12 0.20 1.37 -0.04 -0.31 0.00 0.00 175.10 176.44 2kh2 s MET 20 N -1.61 3.34 0.00 4.82 -1.94 -1.26 -1.48 119.30 121.17 2kh2 s MET 20 Ca 0.12 0.39 0.00 0.00 -1.71 0.00 0.00 55.69 54.48 2kh2 s MET 20 Cb -0.10 -4.11 0.00 0.00 2.01 0.00 0.00 34.83 32.64 2kh2 s MET 20 CO 0.04 -1.90 0.01 0.45 -0.01 0.00 0.00 175.02 173.62 2kh2 n SER 21 N 9.35 0.00 -2.36 3.03 2.88 0.12 -4.98 113.62 121.66 2kh2 n SER 21 Ca 0.11 0.01 -0.03 0.00 -1.33 0.00 0.00 58.87 57.64 2kh2 n SER 21 Cb 0.49 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.97 2kh2 n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kh2 n GLY 22 N 2.55 1.00 0.26 0.46 0.00 -1.17 -4.91 105.19 103.38 2kh2 n GLY 22 Ca 0.00 -2.00 0.10 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.26 1.61 0.13 -2.04 -3.06 132.00 128.38 2kh2 h PRO 23 Ca -0.04 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.86 2kh2 h PRO 23 Cb 0.17 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 30.92 2kh2 h PRO 23 CO 0.05 0.08 -1.03 0.66 -0.23 0.00 0.00 178.00 177.52 2kh2 n TYR 24 N -4.09 0.81 -4.49 1.56 4.01 -1.26 -5.08 117.16 108.62 2kh2 n TYR 24 Ca -0.03 -1.48 -0.21 0.00 -0.16 0.00 0.00 57.90 56.03 2kh2 n TYR 24 Cb 0.16 -0.21 -0.15 0.00 -0.31 0.00 0.00 39.34 38.83 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 -2.30 1.02 -0.05 -0.72 2.12 -1.16 -4.60 118.70 113.02 2kh2 s GLU 25 Ca 0.32 -0.39 0.04 0.00 0.36 0.00 0.00 54.97 55.31 2kh2 s GLU 25 Cb 0.36 -0.96 -0.00 0.00 0.26 0.00 0.00 34.13 33.79 2kh2 s GLU 25 CO -0.09 0.20 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.14 2kh2 s LEU 26 N -0.06 1.92 0.17 2.70 1.43 -1.26 -0.70 118.68 122.87 2kh2 s LEU 26 Ca 0.01 -0.37 0.10 0.00 -1.03 0.00 0.00 54.13 52.84 2kh2 s LEU 26 Cb -0.07 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 2kh2 s LEU 26 CO 0.00 0.16 -0.22 -0.54 0.23 0.00 0.00 176.35 175.98 2kh2 s LYS 27 N 0.05 1.37 -0.21 1.70 1.02 -0.55 -3.19 119.74 119.94 2kh2 s LYS 27 Ca -0.04 -1.42 -0.01 0.00 0.02 0.00 0.00 55.97 54.51 2kh2 s LYS 27 Cb -0.12 -1.60 0.01 0.00 -0.52 0.00 0.00 37.83 35.60 2kh2 s LYS 27 CO 0.02 0.35 -0.12 0.00 -0.92 0.00 0.00 175.35 174.68 2kh2 s ALA 28 N -1.70 2.57 0.19 5.17 0.00 0.55 -0.21 121.76 128.33 2kh2 s ALA 28 Ca 0.17 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 50.81 2kh2 s ALA 28 Cb -0.08 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 2kh2 s ALA 28 CO 0.08 -0.45 0.28 -0.48 0.00 0.00 0.00 175.76 175.19 2kh2 s LEU 29 N 1.37 0.90 -0.09 0.00 0.05 -0.55 -2.04 118.68 118.32 2kh2 s LEU 29 Ca 0.05 -1.05 -0.29 0.00 0.05 0.00 0.00 54.13 52.88 2kh2 s LEU 29 Cb -0.14 1.07 -0.05 0.00 -2.05 0.00 0.00 46.19 45.02 2kh2 s LEU 29 CO -0.08 -0.94 1.72 -1.00 -0.55 0.00 0.00 176.35 175.50 2kh2 s HIS 30 N -4.04 1.86 -0.28 3.48 3.76 -1.26 0.06 115.29 118.88 2kh2 s HIS 30 Ca 0.25 0.20 0.02 0.00 -0.15 0.00 0.00 55.06 55.37 2kh2 s HIS 30 Cb 0.03 -3.97 0.08 0.00 1.11 0.00 0.00 32.58 29.83 2kh2 s HIS 30 CO 0.06 -3.91 -0.01 -1.17 -0.85 0.00 0.00 174.74 168.86 2kh2 s LEU 31 N 4.58 3.32 -0.24 0.89 2.96 -1.25 -4.91 118.68 124.02 2kh2 s LEU 31 Ca 0.77 -1.56 -0.09 0.00 -0.22 0.00 0.00 54.13 53.02 2kh2 s LEU 31 Cb -0.33 -1.34 0.10 0.00 0.50 0.00 0.00 46.19 45.13 2kh2 s LEU 31 CO 0.31 -0.29 0.53 -1.58 -1.32 0.00 0.00 176.35 174.00 2kh2 s GLN 32 N 1.23 0.47 0.00 1.98 0.74 -1.26 -4.89 119.66 117.93 2kh2 s GLN 32 Ca 0.00 1.18 0.00 0.00 0.05 0.00 0.00 55.36 56.59 2kh2 s GLN 32 Cb -0.19 0.45 0.00 0.00 1.10 0.00 0.00 33.01 34.37 2kh2 s GLN 32 CO -0.09 -0.21 0.00 0.41 -0.55 0.00 0.00 175.29 174.85 2kh2 n GLY 33 N 5.12 0.36 0.26 2.59 0.00 -1.26 -4.77 105.19 107.49 2kh2 n GLY 33 Ca -0.13 -1.61 0.13 0.00 0.00 0.00 0.00 46.02 44.41 2kh2 n GLY 33 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2kh2 h GLN 34 N 0.00 0.00 -0.66 1.61 5.75 -2.05 -2.37 115.11 117.39 2kh2 h GLN 34 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2kh2 h GLN 34 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2kh2 h GLN 34 CO 0.00 0.13 0.00 -0.25 -2.65 0.00 0.00 178.83 176.06 2kh2 n ASP 35 N -3.53 1.87 0.00 -0.69 9.92 -1.26 -4.08 116.55 118.78 2kh2 n ASP 35 Ca -0.01 -2.17 0.09 0.00 -0.53 0.00 0.00 54.79 52.17 2kh2 n ASP 35 Cb 0.28 -0.41 0.52 0.00 -0.64 0.00 0.00 41.12 40.87 2kh2 n ASP 35 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 2kh2 n MET 36 N 0.14 0.67 0.00 -1.24 1.56 -0.89 -2.19 117.12 115.17 2kh2 n MET 36 Ca 0.07 0.00 0.09 0.00 -0.27 0.00 0.00 57.70 57.59 2kh2 n MET 36 Cb 0.39 -1.41 -0.00 0.00 2.15 0.00 0.00 33.22 34.35 2kh2 n MET 36 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2kh2 n GLU 37 N -0.91 1.54 -0.15 2.12 -0.58 -1.26 -4.17 120.64 117.24 2kh2 n GLU 37 Ca 0.13 -0.86 0.09 0.00 -0.42 0.00 0.00 57.16 56.10 2kh2 n GLU 37 Cb 0.06 -1.33 0.28 0.00 -0.57 0.00 0.00 31.44 29.87 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 -0.10 1.92 -1.85 3.49 6.02 -0.93 -4.92 117.38 121.01 2kh2 n GLN 38 Ca 0.07 -1.41 -0.42 0.00 -0.01 0.00 0.00 57.00 55.23 2kh2 n GLN 38 Cb 0.38 -1.38 -0.03 0.00 1.02 0.00 0.00 30.24 30.23 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 -1.61 4.18 0.10 -1.09 -2.07 -1.26 -4.77 119.66 113.15 2kh2 s GLN 39 Ca 0.31 2.44 -0.30 0.00 -1.82 0.00 0.00 55.36 56.00 2kh2 s GLN 39 Cb 0.17 -3.34 -0.06 0.00 -1.09 0.00 0.00 33.01 28.69 2kh2 s GLN 39 CO 0.24 -0.71 1.03 0.08 -1.32 0.00 0.00 175.29 174.60 2kh2 s VAL 40 N 1.85 4.35 -0.18 3.63 1.01 -1.22 -5.03 120.40 124.81 2kh2 s VAL 40 Ca 0.74 1.88 -0.07 0.00 0.00 0.00 0.00 61.98 64.53 2kh2 s VAL 40 Cb -0.44 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 2kh2 s VAL 40 CO 0.33 0.25 0.04 -0.69 0.00 0.00 0.00 175.10 175.03 2kh2 s VAL 41 N 0.26 4.58 -0.14 2.92 1.01 -1.26 -4.59 120.40 123.18 2kh2 s VAL 41 Ca 0.50 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 2kh2 s VAL 41 Cb -0.25 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2kh2 s VAL 41 CO 0.31 0.46 0.08 -0.36 0.00 0.00 0.00 175.10 175.59 2kh2 s PHE 42 N 0.42 3.37 -0.21 5.22 0.40 0.59 -0.99 117.98 126.78 2kh2 s PHE 42 Ca 0.02 0.29 -0.16 0.00 -0.60 0.00 0.00 56.93 56.48 2kh2 s PHE 42 Cb -0.13 -1.96 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 2kh2 s PHE 42 CO 0.01 0.45 0.39 -1.12 0.70 0.00 0.00 175.22 175.65 2kh2 s SER 43 N -0.44 6.41 -0.30 1.36 0.01 -0.01 -1.17 113.70 119.56 2kh2 s SER 43 Ca 0.10 0.49 -0.16 0.00 1.31 0.00 0.00 55.95 57.68 2kh2 s SER 43 Cb -0.12 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 2kh2 s SER 43 CO 0.02 -0.08 0.44 -0.04 0.41 0.00 0.00 173.24 173.99 2kh2 s MET 44 N 1.35 3.83 -0.15 12.44 -1.94 0.75 -3.33 119.30 132.26 2kh2 s MET 44 Ca 0.18 -0.04 -0.06 0.00 -1.71 0.00 0.00 55.69 54.06 2kh2 s MET 44 Cb -0.15 -3.73 -0.04 0.00 2.01 0.00 0.00 34.83 32.93 2kh2 s MET 44 CO 0.08 -0.45 0.06 -1.12 -0.01 0.00 0.00 175.02 173.58 2kh2 s SER 45 N 1.68 5.62 -0.75 3.03 0.01 -1.17 -2.49 113.70 119.61 2kh2 s SER 45 Ca 0.17 0.14 -0.26 0.00 1.31 0.00 0.00 55.95 57.30 2kh2 s SER 45 Cb -0.16 -1.87 0.03 0.00 0.21 0.00 0.00 66.02 64.23 2kh2 s SER 45 CO 0.11 0.25 1.27 -0.36 0.41 0.00 0.00 173.24 174.92 2kh2 s PHE 46 N -0.08 2.32 0.00 2.43 0.40 -1.26 -1.34 117.98 120.46 2kh2 s PHE 46 Ca 0.06 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 2kh2 s PHE 46 Cb -0.12 -4.61 0.00 0.00 0.51 0.00 0.00 43.02 38.80 2kh2 s PHE 46 CO 0.01 -2.04 0.00 1.33 0.70 0.00 0.00 175.22 175.22 2kh2 n VAL 47 N 6.38 0.00 -3.88 -0.44 0.24 -1.23 -4.84 118.33 114.56 2kh2 n VAL 47 Ca 0.04 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.25 2kh2 n VAL 47 Cb 0.49 -0.51 -0.08 0.00 -1.47 0.00 0.00 33.84 32.27 2kh2 n VAL 47 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2kh2 s GLN 48 N 2.34 0.73 0.00 7.34 -0.21 -1.24 -4.96 119.66 123.66 2kh2 s GLN 48 Ca 0.00 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 54.54 2kh2 s GLN 48 Cb 0.00 0.30 0.00 0.00 1.00 0.00 0.00 33.01 34.31 2kh2 s GLN 48 CO 0.00 -0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.37 2kh2 n GLY 49 N 0.34 3.45 3.24 3.09 0.00 -1.26 -4.88 105.19 109.18 2kh2 n GLY 49 Ca -0.17 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 1.14 -0.29 1.61 2.56 -1.26 -5.12 118.70 117.34 2kh2 s GLU 50 Ca 0.00 -1.57 -0.16 0.00 0.00 0.00 0.00 54.97 53.24 2kh2 s GLU 50 Cb 0.00 -0.19 0.17 0.00 2.00 0.00 0.00 34.13 36.12 2kh2 s GLU 50 CO 0.00 -0.18 1.10 -2.00 -0.56 0.00 0.00 175.26 173.62 2kh2 s GLU 51 N -3.96 0.23 0.00 4.30 2.12 -1.26 -4.39 118.70 115.74 2kh2 s GLU 51 Ca 0.27 0.41 0.00 0.00 0.36 0.00 0.00 54.97 56.01 2kh2 s GLU 51 Cb 0.07 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.53 2kh2 s GLU 51 CO 0.06 -0.05 0.00 -1.13 -0.54 0.00 0.00 175.26 173.60 2kh2 n SER 52 N 3.57 0.00 -0.47 -1.70 3.41 -1.05 -5.00 113.62 112.37 2kh2 n SER 52 Ca -0.17 -0.16 0.13 0.00 -0.26 0.00 0.00 58.87 58.41 2kh2 n SER 52 Cb 0.57 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.81 2kh2 n SER 52 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kh2 n ASN 53 N -0.27 1.66 0.00 4.04 4.05 -1.26 -4.58 115.26 118.91 2kh2 n ASN 53 Ca 0.00 -1.36 0.00 0.00 0.45 0.00 0.00 54.58 53.67 2kh2 n ASN 53 Cb 0.00 0.15 0.00 0.00 1.23 0.00 0.00 39.78 41.16 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 2kh2 n ASP 54 N 0.01 0.00 -4.55 1.20 5.75 -1.26 -5.02 116.55 112.69 2kh2 n ASP 54 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.49 2kh2 n ASP 54 Cb 0.41 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.44 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 -1.09 3.48 -0.11 0.11 1.02 -1.25 -3.25 119.74 118.63 2kh2 s LYS 55 Ca 0.00 -0.09 0.03 0.00 0.02 0.00 0.00 55.97 55.93 2kh2 s LYS 55 Cb 0.00 -3.90 0.01 0.00 -0.52 0.00 0.00 37.83 33.42 2kh2 s LYS 55 CO 0.00 -0.97 -0.19 0.42 -0.92 0.00 0.00 175.35 173.69 2kh2 s ILE 56 N 3.01 1.75 -0.14 2.17 -1.09 -0.76 -2.54 121.20 123.60 2kh2 s ILE 56 Ca 0.27 -0.81 -0.29 0.00 -2.23 0.00 0.00 60.65 57.59 2kh2 s ILE 56 Cb -0.13 -1.56 -0.01 0.00 -1.58 0.00 0.00 42.46 39.18 2kh2 s ILE 56 CO 0.19 0.49 1.15 -2.16 -1.23 0.00 0.00 174.94 173.38 2kh2 s PRO 57 N 0.76 4.31 0.05 2.79 0.04 -1.26 -0.80 135.00 140.88 2kh2 s PRO 57 Ca -0.10 1.55 0.01 0.00 0.04 0.00 0.00 61.00 62.49 2kh2 s PRO 57 Cb -0.16 -3.64 -0.03 0.00 0.04 0.00 0.00 34.50 30.71 2kh2 s PRO 57 CO 0.01 -0.55 -0.05 0.14 0.04 0.00 0.00 177.00 176.60 2kh2 s VAL 58 N 2.80 0.36 0.17 -0.36 -7.23 0.31 -3.47 120.40 112.98 2kh2 s VAL 58 Ca 0.51 -1.32 -0.11 0.00 -1.81 0.00 0.00 61.98 59.25 2kh2 s VAL 58 Cb -0.20 -0.86 -0.07 0.00 0.56 0.00 0.00 36.38 35.81 2kh2 s VAL 58 CO 0.15 -0.63 0.52 0.00 -0.31 0.00 0.00 175.10 174.83 2kh2 s ALA 59 N -2.31 3.60 -0.33 1.32 0.00 -0.45 -1.45 121.76 122.14 2kh2 s ALA 59 Ca -0.05 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 51.71 2kh2 s ALA 59 Cb -0.04 -2.44 0.09 0.00 0.00 0.00 0.00 23.12 20.74 2kh2 s ALA 59 CO -0.03 0.50 0.03 -0.51 0.00 0.00 0.00 175.76 175.75 2kh2 s LEU 60 N -2.36 4.54 0.14 0.00 1.43 -1.26 -3.06 118.68 118.11 2kh2 s LEU 60 Ca 0.42 -2.04 0.05 0.00 -1.03 0.00 0.00 54.13 51.52 2kh2 s LEU 60 Cb -0.13 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2kh2 s LEU 60 CO 0.20 -0.35 -0.11 -0.83 0.23 0.00 0.00 176.35 175.49 2kh2 s GLY 61 N 0.94 1.08 0.27 -3.19 0.00 -1.21 -1.50 107.32 103.71 2kh2 s GLY 61 Ca 0.08 -1.45 -0.29 0.00 0.00 0.00 0.00 44.72 43.06 2kh2 s GLY 61 CO -0.08 -1.54 1.03 1.08 0.00 0.00 0.00 173.10 173.58 2kh2 s LEU 62 N -3.02 4.56 0.14 0.66 1.02 -0.68 -0.83 118.68 120.54 2kh2 s LEU 62 Ca 0.15 2.11 -0.34 0.00 0.02 0.00 0.00 54.13 56.07 2kh2 s LEU 62 Cb 0.01 -3.67 -0.14 0.00 0.02 0.00 0.00 46.19 42.41 2kh2 s LEU 62 CO 0.01 -0.03 1.60 1.17 0.02 0.00 0.00 176.35 179.11 2kh2 n LYS 63 N 1.22 2.13 -2.81 1.70 4.81 -0.16 -1.79 118.16 123.25 2kh2 n LYS 63 Ca -0.01 0.77 -0.17 0.00 -0.87 0.00 0.00 58.31 58.03 2kh2 n LYS 63 Cb 0.46 -2.54 -0.00 0.00 0.02 0.00 0.00 35.03 32.97 2kh2 n LYS 63 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2kh2 n GLU 64 N 3.65 -2.85 -4.07 1.64 0.00 -1.26 -4.96 120.64 112.79 2kh2 n GLU 64 Ca 0.17 0.56 -0.14 0.00 0.00 0.00 0.00 57.16 57.76 2kh2 n GLU 64 Cb 0.29 -5.22 -0.13 0.00 0.00 0.00 0.00 31.44 26.37 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2kh2 s LYS 65 N -5.42 0.35 -0.11 3.44 1.02 -0.74 -5.03 119.74 113.25 2kh2 s LYS 65 Ca 0.16 -0.31 0.02 0.00 0.02 0.00 0.00 55.97 55.86 2kh2 s LYS 65 Cb -0.08 -0.26 0.20 0.00 -0.52 0.00 0.00 37.83 37.17 2kh2 s LYS 65 CO 0.20 0.06 1.16 0.27 -0.92 0.00 0.00 175.35 176.13 2kh2 n ASN 66 N 2.55 3.00 -4.49 2.83 6.94 -1.26 -4.32 115.26 120.51 2kh2 n ASN 66 Ca -0.16 -2.41 -0.38 0.00 -0.02 0.00 0.00 54.58 51.62 2kh2 n ASN 66 Cb 0.58 -0.59 -0.12 0.00 -2.36 0.00 0.00 39.78 37.29 2kh2 n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2kh2 s LEU 67 N -0.90 3.86 0.10 -4.53 1.43 -1.26 -2.16 118.68 115.22 2kh2 s LEU 67 Ca 0.16 -0.26 0.09 0.00 -1.03 0.00 0.00 54.13 53.09 2kh2 s LEU 67 Cb 0.13 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 2kh2 s LEU 67 CO 0.03 -0.10 -0.23 -0.31 0.23 0.00 0.00 176.35 175.97 2kh2 s TYR 68 N 1.66 2.02 -0.08 0.29 1.51 -0.95 -1.68 117.35 120.12 2kh2 s TYR 68 Ca 0.06 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.42 2kh2 s TYR 68 Cb -0.16 -1.12 -0.03 0.00 -0.11 0.00 0.00 41.96 40.54 2kh2 s TYR 68 CO 0.07 0.23 1.22 -0.51 -1.11 0.00 0.00 175.55 175.45 2kh2 s LEU 69 N -1.82 4.26 -0.01 -1.29 1.43 -0.56 -1.24 118.68 119.44 2kh2 s LEU 69 Ca 0.10 1.79 0.07 0.00 -1.03 0.00 0.00 54.13 55.06 2kh2 s LEU 69 Cb -0.10 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 2kh2 s LEU 69 CO 0.04 -0.63 -0.24 -0.55 0.23 0.00 0.00 176.35 175.21 2kh2 s SER 70 N 1.60 2.79 -0.29 2.29 0.15 0.60 -4.52 113.70 116.32 2kh2 s SER 70 Ca 0.56 -0.44 -0.07 0.00 0.70 0.00 0.00 55.95 56.70 2kh2 s SER 70 Cb -0.24 -0.30 0.01 0.00 -1.71 0.00 0.00 66.02 63.78 2kh2 s SER 70 CO 0.20 0.29 0.07 0.00 1.20 0.00 0.00 173.24 175.00 2kh2 s VAL 72 N 1.49 0.41 -0.30 0.00 -7.23 -0.42 -4.77 120.40 109.58 2kh2 s VAL 72 Ca 0.02 -1.97 -0.20 0.00 -1.81 0.00 0.00 61.98 58.02 2kh2 s VAL 72 Cb -0.17 -2.27 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 2kh2 s VAL 72 CO 0.02 -0.30 0.62 -0.76 -0.31 0.00 0.00 175.10 174.38 2kh2 s LEU 73 N -3.17 4.14 -0.34 1.32 1.43 -1.26 0.25 118.68 121.04 2kh2 s LEU 73 Ca 0.29 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.86 2kh2 s LEU 73 Cb 0.07 -2.81 0.09 0.00 0.03 0.00 0.00 46.19 43.57 2kh2 s LEU 73 CO 0.07 -0.47 0.05 -0.54 0.23 0.00 0.00 176.35 175.69 2kh2 s LYS 74 N 2.59 1.72 -0.79 1.70 1.02 0.12 -4.78 119.74 121.32 2kh2 s LYS 74 Ca 0.25 -1.76 -0.03 0.00 0.02 0.00 0.00 55.97 54.44 2kh2 s LYS 74 Cb -0.15 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 2kh2 s LYS 74 CO 0.11 -0.89 0.70 -3.47 -0.92 0.00 0.00 175.35 170.89 2kh2 n ASP 75 N 4.35 -6.11 -0.84 2.83 4.64 -1.26 -3.27 116.55 116.87 2kh2 n ASP 75 Ca -0.00 -0.43 -0.11 0.00 -1.38 0.00 0.00 54.79 52.87 2kh2 n ASP 75 Cb 0.42 -4.43 -0.05 0.00 -1.04 0.00 0.00 41.12 36.02 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 -2.54 -5.35 -3.73 1.67 9.92 -1.26 -4.96 116.55 110.30 2kh2 n ASP 76 Ca -0.04 0.27 -0.13 0.00 -0.53 0.00 0.00 54.79 54.37 2kh2 n ASP 76 Cb 0.57 -3.82 -0.13 0.00 -0.64 0.00 0.00 41.12 37.10 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 -2.83 0.19 0.08 -1.24 2.47 -1.20 -5.13 119.74 112.07 2kh2 s LYS 77 Ca 0.00 0.50 -0.31 0.00 -1.56 0.00 0.00 55.97 54.60 2kh2 s LYS 77 Cb 0.00 -0.13 -0.07 0.00 -1.46 0.00 0.00 37.83 36.17 2kh2 s LYS 77 CO 0.00 -0.16 1.41 -2.14 0.16 0.00 0.00 175.35 174.61 2kh2 s PRO 78 N 1.23 4.30 0.09 4.03 0.02 -1.26 0.11 135.00 143.53 2kh2 s PRO 78 Ca -0.09 2.06 -0.01 0.00 0.02 0.00 0.00 61.00 62.98 2kh2 s PRO 78 Cb -0.10 -3.36 -0.04 0.00 0.02 0.00 0.00 34.50 31.02 2kh2 s PRO 78 CO -0.08 -0.49 -0.00 0.99 -0.33 0.00 0.00 177.00 177.09 2kh2 s THR 79 N 1.55 0.26 0.04 0.99 2.01 0.14 -4.68 115.64 115.94 2kh2 s THR 79 Ca 0.65 -1.87 -0.03 0.00 0.31 0.00 0.00 61.69 60.75 2kh2 s THR 79 Cb -0.35 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 2kh2 s THR 79 CO 0.29 -0.77 0.25 -0.22 -0.69 0.00 0.00 174.62 173.48 2kh2 s LEU 80 N -2.99 4.35 0.24 4.42 2.96 -1.26 -1.30 118.68 125.09 2kh2 s LEU 80 Ca 0.15 0.43 -0.15 0.00 -0.22 0.00 0.00 54.13 54.33 2kh2 s LEU 80 Cb 0.07 -2.83 0.01 0.00 0.50 0.00 0.00 46.19 43.94 2kh2 s LEU 80 CO -0.04 0.20 0.53 0.00 -1.32 0.00 0.00 176.35 175.72 2kh2 s GLN 81 N -2.15 1.54 -0.36 1.98 -2.07 0.14 -4.87 119.66 113.86 2kh2 s GLN 81 Ca 0.32 -1.10 -0.12 0.00 -1.82 0.00 0.00 55.36 52.63 2kh2 s GLN 81 Cb -0.13 0.51 0.01 0.00 -1.09 0.00 0.00 33.01 32.31 2kh2 s GLN 81 CO 0.21 -0.66 0.23 -0.51 -1.32 0.00 0.00 175.29 173.25 2kh2 s LEU 82 N -2.96 4.67 -0.23 2.60 2.01 -1.26 -0.29 118.68 123.22 2kh2 s LEU 82 Ca 0.17 -0.72 -0.09 0.00 0.01 0.00 0.00 54.13 53.50 2kh2 s LEU 82 Cb -0.02 -2.09 -0.04 0.00 0.01 0.00 0.00 46.19 44.05 2kh2 s LEU 82 CO 0.05 -0.33 0.11 -1.61 1.01 0.00 0.00 176.35 175.59 2kh2 s GLU 83 N 1.65 3.93 -0.59 1.70 2.02 -0.38 -4.91 118.70 122.12 2kh2 s GLU 83 Ca 0.05 -0.35 -0.23 0.00 0.02 0.00 0.00 54.97 54.46 2kh2 s GLU 83 Cb -0.18 -3.41 0.05 0.00 0.10 0.00 0.00 34.13 30.69 2kh2 s GLU 83 CO 0.09 0.04 0.93 -1.12 0.02 0.00 0.00 175.26 175.22 2kh2 s SER 84 N 1.07 6.27 0.44 -0.19 0.01 -1.26 -2.23 113.70 117.80 2kh2 s SER 84 Ca 0.06 -0.63 0.08 0.00 1.31 0.00 0.00 55.95 56.77 2kh2 s SER 84 Cb -0.14 -2.42 0.01 0.00 0.21 0.00 0.00 66.02 63.68 2kh2 s SER 84 CO 0.04 -1.29 0.54 0.68 0.41 0.00 0.00 173.24 173.62 2kh2 s VAL 85 N 3.92 2.80 -0.09 3.43 -7.23 -0.92 -5.04 120.40 117.28 2kh2 s VAL 85 Ca 0.26 -1.10 -0.35 0.00 -1.81 0.00 0.00 61.98 58.98 2kh2 s VAL 85 Cb -0.15 -2.90 -0.13 0.00 0.56 0.00 0.00 36.38 33.77 2kh2 s VAL 85 CO 0.15 0.00 1.82 -0.67 -0.31 0.00 0.00 175.10 176.09 2kh2 n ASP 86 N -1.81 3.21 0.00 4.85 -0.08 -1.26 -4.86 116.55 116.60 2kh2 n ASP 86 Ca 0.07 1.00 0.10 0.00 -1.51 0.00 0.00 54.79 54.46 2kh2 n ASP 86 Cb 0.60 -1.34 0.56 0.00 2.34 0.00 0.00 41.12 43.28 2kh2 n ASP 86 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2kh2 n PRO 87 N 6.01 0.38 -0.00 -0.67 -0.04 -1.26 -2.71 135.00 136.71 2kh2 n PRO 87 Ca 0.22 0.07 0.03 0.00 -0.04 0.00 0.00 63.50 63.79 2kh2 n PRO 87 Cb 0.27 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.18 2kh2 n PRO 87 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2kh2 n LYS 88 N -1.22 4.34 -0.09 0.54 2.85 -1.26 -4.51 118.16 118.81 2kh2 n LYS 88 Ca 0.11 -0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.42 2kh2 n LYS 88 Cb 0.15 -0.86 0.09 0.00 -0.65 0.00 0.00 35.03 33.76 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 -1.21 2.38 -3.95 -5.58 3.02 -1.17 -4.97 115.26 103.78 2kh2 n ASN 89 Ca 0.01 -1.75 -0.15 0.00 -0.03 0.00 0.00 54.58 52.66 2kh2 n ASN 89 Cb 0.12 -0.12 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 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 -0.91 0.39 0.92 3.10 1.51 -1.10 -4.35 117.35 116.90 2kh2 s TYR 90 Ca 0.16 -0.10 -0.16 0.00 -1.01 0.00 0.00 57.07 55.97 2kh2 s TYR 90 Cb 0.09 -0.25 0.21 0.00 -0.11 0.00 0.00 41.96 41.91 2kh2 s TYR 90 CO 0.13 -0.01 1.20 -0.35 -1.11 0.00 0.00 175.55 175.40 2kh2 n PRO 91 N 2.88 -1.36 -4.03 -1.71 -0.04 -1.26 -4.80 135.00 124.68 2kh2 n PRO 91 Ca -0.13 -1.85 -0.10 0.00 -0.04 0.00 0.00 63.50 61.37 2kh2 n PRO 91 Cb 0.58 -1.28 -0.07 0.00 -0.04 0.00 0.00 33.50 32.70 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 -5.62 1.31 0.09 0.54 -2.85 -1.26 -5.07 119.74 106.87 2kh2 s LYS 92 Ca 0.69 -1.30 -0.25 0.00 -1.00 0.00 0.00 55.97 54.10 2kh2 s LYS 92 Cb -0.02 0.39 -0.16 0.00 -2.06 0.00 0.00 37.83 35.98 2kh2 s LYS 92 CO 0.49 -0.50 1.72 -0.22 0.10 0.00 0.00 175.35 176.93 2kh2 h LYS 93 N 2.45 -0.18 -4.47 1.78 1.63 -1.96 -3.37 116.57 112.46 2kh2 h LYS 93 Ca -0.31 0.01 -0.70 0.00 -0.85 0.00 0.00 60.65 58.81 2kh2 h LYS 93 Cb 1.24 0.04 -0.34 0.00 -0.60 0.00 0.00 32.23 32.57 2kh2 h LYS 93 CO 0.45 -0.12 -0.53 0.21 -3.45 0.00 0.00 179.45 176.00 2kh2 s LYS 94 N -6.16 2.05 0.65 1.90 2.47 -1.26 -3.72 119.74 115.67 2kh2 s LYS 94 Ca -0.14 -1.82 -0.04 0.00 -1.56 0.00 0.00 55.97 52.41 2kh2 s LYS 94 Cb 0.05 -3.62 0.05 0.00 -1.46 0.00 0.00 37.83 32.86 2kh2 s LYS 94 CO 0.65 -1.09 0.94 -1.64 0.16 0.00 0.00 175.35 174.37 2kh2 s MET 95 N 1.16 2.35 0.51 4.03 -1.94 -1.26 -5.04 119.30 119.11 2kh2 s MET 95 Ca 0.08 -0.39 -0.22 0.00 -1.71 0.00 0.00 55.69 53.46 2kh2 s MET 95 Cb -0.23 -2.27 -0.06 0.00 2.01 0.00 0.00 34.83 34.28 2kh2 s MET 95 CO -0.04 -1.05 1.22 -1.21 -0.01 0.00 0.00 175.02 173.94 2kh2 s GLU 96 N -5.09 3.44 0.59 2.03 8.01 -1.26 -4.89 118.70 121.53 2kh2 s GLU 96 Ca 0.59 1.90 0.30 0.00 0.01 0.00 0.00 54.97 57.77 2kh2 s GLU 96 Cb -0.11 -2.26 1.77 0.00 -4.31 0.00 0.00 34.13 29.22 2kh2 s GLU 96 CO 0.43 -0.85 2.19 -0.22 0.01 0.00 0.00 175.26 176.82 2kh2 h LYS 97 N 1.65 0.00 0.00 1.61 3.64 -1.96 0.94 116.57 122.45 2kh2 h LYS 97 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2kh2 h LYS 97 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2kh2 h LYS 97 CO 0.58 0.00 0.00 2.89 -2.27 0.00 0.00 179.45 180.65 2kh2 n ARG 98 N -3.79 0.01 -0.03 1.90 1.85 -1.26 -2.57 116.66 112.77 2kh2 n ARG 98 Ca -0.01 0.11 0.04 0.00 -1.00 0.00 0.00 57.85 56.99 2kh2 n ARG 98 Cb 0.19 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.15 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 -1.49 0.08 -3.44 2.89 3.72 0.30 -1.63 117.46 117.89 2kh2 n PHE 99 Ca 0.06 -0.11 -0.39 0.00 -0.05 0.00 0.00 57.45 56.96 2kh2 n PHE 99 Cb 0.26 -0.01 -0.09 0.00 -0.94 0.00 0.00 39.48 38.71 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 -0.79 5.21 0.02 -4.37 1.01 -1.06 -4.21 120.40 116.21 2kh2 s VAL 100 Ca 0.12 0.51 0.04 0.00 0.00 0.00 0.00 61.98 62.65 2kh2 s VAL 100 Cb 0.08 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2kh2 s VAL 100 CO 0.11 0.20 -0.08 -0.36 0.00 0.00 0.00 175.10 174.98 2kh2 s PHE 101 N 1.83 2.85 -0.49 5.22 0.08 -0.52 -1.87 117.98 125.08 2kh2 s PHE 101 Ca 0.14 -0.07 -0.14 0.00 0.12 0.00 0.00 56.93 56.98 2kh2 s PHE 101 Cb -0.15 -1.57 0.09 0.00 -0.57 0.00 0.00 43.02 40.82 2kh2 s PHE 101 CO 0.09 0.37 0.41 1.21 -0.10 0.00 0.00 175.22 177.20 2kh2 s ASN 102 N -1.56 6.07 -0.64 1.36 3.84 0.27 -0.53 114.94 123.74 2kh2 s ASN 102 Ca 0.18 -1.53 -0.27 0.00 0.21 0.00 0.00 52.86 51.45 2kh2 s ASN 102 Cb -0.11 -2.16 0.02 0.00 -0.55 0.00 0.00 41.25 38.45 2kh2 s ASN 102 CO 0.09 -0.70 1.39 -0.75 -2.79 0.00 0.00 177.10 174.34 2kh2 s LYS 103 N 1.58 3.19 0.19 0.43 2.20 0.02 -1.13 119.74 126.22 2kh2 s LYS 103 Ca 0.04 0.16 -0.19 0.00 -0.36 0.00 0.00 55.97 55.62 2kh2 s LYS 103 Cb -0.26 -4.17 -0.08 0.00 -1.51 0.00 0.00 37.83 31.81 2kh2 s LYS 103 CO 0.04 -2.10 0.68 0.42 -0.36 0.00 0.00 175.35 174.04 2kh2 s ILE 104 N 6.19 4.61 -0.52 5.43 1.01 0.77 -1.83 121.20 136.86 2kh2 s ILE 104 Ca 0.46 1.25 0.07 0.00 0.00 0.00 0.00 60.65 62.42 2kh2 s ILE 104 Cb -0.09 -3.87 0.25 0.00 0.01 0.00 0.00 42.46 38.75 2kh2 s ILE 104 CO 0.20 0.29 0.63 -0.62 0.00 0.00 0.00 174.94 175.44 2kh2 n GLU 105 N 0.95 1.65 0.09 2.79 1.02 -1.20 -1.59 120.64 124.35 2kh2 n GLU 105 Ca -0.04 -3.99 -0.13 0.00 -0.02 0.00 0.00 57.16 52.98 2kh2 n GLU 105 Cb 0.51 -1.77 -0.08 0.00 -0.02 0.00 0.00 31.44 30.07 2kh2 n GLU 105 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 2kh2 h ILE 106 N 2.69 0.96 0.00 -3.67 3.07 -1.92 -3.47 117.51 115.16 2kh2 h ILE 106 Ca 0.14 -0.55 0.00 0.00 1.55 0.00 0.00 64.86 66.00 2kh2 h ILE 106 Cb 0.77 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 38.61 2kh2 h ILE 106 CO 0.66 0.13 0.00 -0.46 -1.05 0.00 0.00 178.15 177.42 2kh2 n ASN 107 N -5.06 0.00 -1.13 2.16 0.23 -1.26 -4.99 115.26 105.21 2kh2 n ASN 107 Ca -0.09 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.07 2kh2 n ASN 107 Cb 0.20 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.13 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 3.48 -4.21 0.53 4.05 -1.26 -4.89 115.26 112.96 2kh2 n ASN 108 Ca 0.00 -1.97 -0.26 0.00 0.45 0.00 0.00 54.58 52.80 2kh2 n ASN 108 Cb 0.00 -0.30 -0.15 0.00 1.23 0.00 0.00 39.78 40.56 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2kh2 s LYS 109 N -1.29 1.55 -0.06 1.20 -0.14 -1.26 -4.98 119.74 114.76 2kh2 s LYS 109 Ca 0.39 -0.74 -0.02 0.00 -1.36 0.00 0.00 55.97 54.24 2kh2 s LYS 109 Cb 0.22 -1.52 -0.04 0.00 -1.68 0.00 0.00 37.83 34.81 2kh2 s LYS 109 CO 0.30 0.41 0.04 -0.51 -0.76 0.00 0.00 175.35 174.83 2kh2 s LEU 110 N -0.57 3.77 0.14 3.17 1.43 -0.68 -3.99 118.68 121.94 2kh2 s LEU 110 Ca 0.07 0.18 0.10 0.00 -1.03 0.00 0.00 54.13 53.45 2kh2 s LEU 110 Cb -0.08 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2kh2 s LEU 110 CO -0.00 0.35 -0.20 -1.61 0.23 0.00 0.00 176.35 175.12 2kh2 s GLU 111 N -1.16 1.70 -0.37 1.70 2.02 -0.62 0.06 118.70 122.02 2kh2 s GLU 111 Ca 0.16 -1.28 0.01 0.00 0.02 0.00 0.00 54.97 53.87 2kh2 s GLU 111 Cb -0.12 -2.03 0.10 0.00 0.10 0.00 0.00 34.13 32.18 2kh2 s GLU 111 CO 0.06 0.45 0.12 -0.06 0.02 0.00 0.00 175.26 175.85 2kh2 s PHE 112 N -1.29 3.66 0.25 1.61 0.08 -1.26 -0.16 117.98 120.87 2kh2 s PHE 112 Ca 0.18 -2.68 -0.07 0.00 0.12 0.00 0.00 56.93 54.49 2kh2 s PHE 112 Cb -0.10 -3.02 -0.06 0.00 -0.57 0.00 0.00 43.02 39.27 2kh2 s PHE 112 CO 0.10 -0.95 0.54 -2.00 -0.10 0.00 0.00 175.22 172.80 2kh2 s GLU 113 N 1.03 3.69 -0.10 0.44 2.12 -0.28 -1.78 118.70 123.83 2kh2 s GLU 113 Ca 0.09 0.10 -0.19 0.00 0.36 0.00 0.00 54.97 55.33 2kh2 s GLU 113 Cb -0.21 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 31.48 2kh2 s GLU 113 CO -0.06 0.27 0.51 0.45 -0.54 0.00 0.00 175.26 175.89 2kh2 s SER 114 N -2.81 6.75 0.17 -1.70 0.15 0.37 0.94 113.70 117.57 2kh2 s SER 114 Ca 0.45 0.89 -0.09 0.00 0.70 0.00 0.00 55.95 57.90 2kh2 s SER 114 Cb -0.11 -2.31 0.03 0.00 -1.71 0.00 0.00 66.02 61.92 2kh2 s SER 114 CO 0.26 0.01 1.55 0.00 1.20 0.00 0.00 173.24 176.27 2kh2 h ALA 115 N 6.53 0.70 -0.84 5.45 0.00 -1.59 -2.96 119.26 126.55 2kh2 h ALA 115 Ca -0.42 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.07 2kh2 h ALA 115 Cb 1.18 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2kh2 h ALA 115 CO 0.74 0.67 0.43 0.37 0.00 0.00 0.00 179.25 181.46 2kh2 h GLN 116 N 0.83 1.20 -3.51 0.00 5.75 -1.76 -3.37 115.11 114.24 2kh2 h GLN 116 Ca 0.10 -0.16 -0.62 0.00 -0.15 0.00 0.00 58.65 57.82 2kh2 h GLN 116 Cb 0.81 -0.22 -0.40 0.00 1.07 0.00 0.00 27.48 28.74 2kh2 h GLN 116 CO 0.07 0.90 -0.72 -0.06 -2.65 0.00 0.00 178.83 176.37 2kh2 s PHE 117 N -5.76 2.46 0.56 3.99 0.08 -1.13 -5.08 117.98 113.11 2kh2 s PHE 117 Ca -0.13 -2.50 -0.21 0.00 0.12 0.00 0.00 56.93 54.21 2kh2 s PHE 117 Cb 0.16 -2.21 -0.04 0.00 -0.57 0.00 0.00 43.02 40.36 2kh2 s PHE 117 CO 0.83 -0.83 1.35 -2.14 -0.10 0.00 0.00 175.22 174.33 2kh2 s PRO 118 N 0.64 3.06 0.00 0.24 0.02 -1.16 -2.34 135.00 135.47 2kh2 s PRO 118 Ca 0.14 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.38 2kh2 s PRO 118 Cb -0.22 -2.20 0.00 0.00 0.02 0.00 0.00 34.50 32.10 2kh2 s PRO 118 CO -0.07 -1.25 0.00 0.09 -0.33 0.00 0.00 177.00 175.44 2kh2 n ASN 119 N -1.15 -0.68 -4.39 2.53 4.13 -1.26 -4.98 115.26 109.47 2kh2 n ASN 119 Ca 0.11 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.01 2kh2 n ASN 119 Cb 0.45 -0.88 -0.13 0.00 -1.54 0.00 0.00 39.78 37.68 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 -2.84 3.04 0.27 3.10 0.52 -0.99 -4.47 118.94 117.57 2kh2 s TRP 120 Ca 0.00 -0.63 0.12 0.00 0.02 0.00 0.00 56.10 55.60 2kh2 s TRP 120 Cb 0.00 -2.19 -0.05 0.00 -1.15 0.00 0.00 33.47 30.08 2kh2 s TRP 120 CO 0.00 -0.44 -0.20 0.71 0.02 0.00 0.00 176.95 177.05 2kh2 s TYR 121 N 1.56 2.23 -0.14 -1.98 2.02 0.46 -0.47 117.35 121.03 2kh2 s TYR 121 Ca 0.06 -0.35 -0.29 0.00 -0.37 0.00 0.00 57.07 56.11 2kh2 s TYR 121 Cb -0.15 -0.98 -0.04 0.00 -0.40 0.00 0.00 41.96 40.39 2kh2 s TYR 121 CO 0.01 0.67 1.65 0.42 -1.57 0.00 0.00 175.55 176.73 2kh2 s ILE 122 N -2.50 3.63 0.24 2.71 1.01 -0.73 -0.52 121.20 125.03 2kh2 s ILE 122 Ca 0.29 0.73 0.10 0.00 0.00 0.00 0.00 60.65 61.77 2kh2 s ILE 122 Cb -0.05 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 2kh2 s ILE 122 CO 0.14 -0.17 -0.05 -0.44 0.00 0.00 0.00 174.94 174.42 2kh2 s SER 123 N 3.92 4.36 -0.04 3.58 0.01 0.47 -4.47 113.70 121.53 2kh2 s SER 123 Ca 0.73 -0.66 -0.04 0.00 1.31 0.00 0.00 55.95 57.29 2kh2 s SER 123 Cb -0.29 -0.75 0.01 0.00 0.21 0.00 0.00 66.02 65.20 2kh2 s SER 123 CO 0.29 0.04 0.11 -0.89 0.41 0.00 0.00 173.24 173.20 2kh2 s THR 124 N -2.15 0.01 0.73 1.44 2.01 -0.75 -2.72 115.64 114.21 2kh2 s THR 124 Ca 0.29 -0.09 -0.11 0.00 0.31 0.00 0.00 61.69 62.10 2kh2 s THR 124 Cb -0.07 -0.19 0.04 0.00 0.01 0.00 0.00 72.50 72.29 2kh2 s THR 124 CO 0.18 -0.05 1.10 -0.44 -0.69 0.00 0.00 174.62 174.72 2kh2 s SER 125 N -0.11 5.11 0.41 3.53 0.01 -1.26 -0.15 113.70 121.23 2kh2 s SER 125 Ca -0.02 0.93 0.20 0.00 1.31 0.00 0.00 55.95 58.37 2kh2 s SER 125 Cb -0.02 -1.64 0.83 0.00 0.21 0.00 0.00 66.02 65.41 2kh2 s SER 125 CO 0.00 -1.51 1.81 1.56 0.41 0.00 0.00 173.24 175.50 2kh2 h GLN 126 N -0.74 0.00 -7.10 12.44 1.08 -1.98 -3.45 115.11 115.36 2kh2 h GLN 126 Ca -0.45 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.20 2kh2 h GLN 126 Cb 1.28 0.00 0.14 0.00 -0.05 0.00 0.00 27.48 28.85 2kh2 h GLN 126 CO 0.64 0.32 0.51 0.00 -0.95 0.00 0.00 178.83 179.35 2kh2 s ALA 127 N -3.76 2.50 0.22 3.87 0.00 -1.26 -5.00 121.76 118.33 2kh2 s ALA 127 Ca -0.01 1.15 -0.21 0.00 0.00 0.00 0.00 51.96 52.90 2kh2 s ALA 127 Cb 0.12 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 2kh2 s ALA 127 CO 0.67 -1.40 0.74 -2.00 0.00 0.00 0.00 175.76 173.77 2kh2 s GLU 128 N -3.30 4.30 -0.80 0.00 2.56 -1.26 -3.93 118.70 116.28 2kh2 s GLU 128 Ca 0.79 0.92 -0.00 0.00 0.00 0.00 0.00 54.97 56.68 2kh2 s GLU 128 Cb -0.35 -2.91 0.00 0.00 2.00 0.00 0.00 34.13 32.87 2kh2 s GLU 128 CO 0.38 0.41 0.03 -1.71 -0.56 0.00 0.00 175.26 173.80 2kh2 n ASN 129 N 0.80 -3.26 -4.79 -1.70 5.15 -0.86 -5.01 115.26 105.58 2kh2 n ASN 129 Ca -0.02 -0.02 -0.37 0.00 -0.60 0.00 0.00 54.58 53.56 2kh2 n ASN 129 Cb 0.51 -2.50 -0.06 0.00 -0.53 0.00 0.00 39.78 37.19 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 -4.53 4.03 1.11 1.20 -1.94 -1.13 -4.75 119.30 113.29 2kh2 s MET 130 Ca 0.01 0.26 -0.17 0.00 -1.71 0.00 0.00 55.69 54.09 2kh2 s MET 130 Cb -0.01 -3.31 0.25 0.00 2.01 0.00 0.00 34.83 33.77 2kh2 s MET 130 CO 0.02 0.49 1.13 -2.14 -0.01 0.00 0.00 175.02 174.50 2kh2 s PRO 131 N -0.36 -0.50 0.10 2.03 0.02 -1.26 -0.33 135.00 134.71 2kh2 s PRO 131 Ca 0.21 0.05 -0.09 0.00 0.02 0.00 0.00 61.00 61.19 2kh2 s PRO 131 Cb -0.15 -1.67 -0.06 0.00 0.02 0.00 0.00 34.50 32.64 2kh2 s PRO 131 CO 0.09 -3.26 0.42 0.14 -0.33 0.00 0.00 177.00 174.06 2kh2 s VAL 132 N -3.10 5.08 0.21 3.83 -7.23 -1.19 -4.70 120.40 113.30 2kh2 s VAL 132 Ca 0.69 0.41 -0.13 0.00 -1.81 0.00 0.00 61.98 61.14 2kh2 s VAL 132 Cb -0.12 -3.64 0.00 0.00 0.56 0.00 0.00 36.38 33.18 2kh2 s VAL 132 CO 0.56 0.22 0.44 0.72 -0.31 0.00 0.00 175.10 176.73 2kh2 s PHE 133 N -1.48 0.23 -0.21 2.82 -0.12 -1.10 -4.85 117.98 113.28 2kh2 s PHE 133 Ca 0.36 -0.59 -0.15 0.00 -0.05 0.00 0.00 56.93 56.50 2kh2 s PHE 133 Cb -0.13 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 2kh2 s PHE 133 CO 0.19 -0.90 0.37 -1.17 -0.05 0.00 0.00 175.22 173.66 2kh2 s LEU 134 N -2.96 4.15 0.14 -1.99 2.96 -1.26 -0.40 118.68 119.31 2kh2 s LEU 134 Ca 0.17 0.46 0.09 0.00 -0.22 0.00 0.00 54.13 54.63 2kh2 s LEU 134 Cb 0.00 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 2kh2 s LEU 134 CO 0.03 -0.06 -0.20 -0.83 -1.32 0.00 0.00 176.35 173.97 2kh2 s GLY 135 N 1.05 1.36 -0.13 7.98 0.00 0.32 -4.85 107.32 113.04 2kh2 s GLY 135 Ca 0.17 -1.39 0.17 0.00 0.00 0.00 0.00 44.72 43.68 2kh2 s GLY 135 CO 0.07 -1.42 1.15 0.61 0.00 0.00 0.00 173.10 173.52 2kh2 n GLY 136 N 0.68 4.69 3.00 0.20 0.00 -1.26 -0.40 105.19 112.10 2kh2 n GLY 136 Ca -0.16 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.77 3.58 0.02 2.61 -4.23 -1.26 -4.92 115.64 108.67 2kh2 s THR 137 Ca 0.31 -4.07 -0.30 0.00 -1.18 0.00 0.00 61.69 56.45 2kh2 s THR 137 Cb 0.28 -3.28 -0.05 0.00 1.34 0.00 0.00 72.50 70.79 2kh2 s THR 137 CO 0.02 -1.04 1.20 -0.75 -0.54 0.00 0.00 174.62 173.50 2kh2 s LYS 138 N -1.38 4.41 0.00 3.99 2.20 -1.26 -3.05 119.74 124.65 2kh2 s LYS 138 Ca 0.26 1.73 0.00 0.00 -0.36 0.00 0.00 55.97 57.60 2kh2 s LYS 138 Cb -0.06 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 2kh2 s LYS 138 CO -0.14 -0.32 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 2kh2 n GLY 139 N 3.26 0.75 0.00 5.54 0.00 -1.26 -5.06 105.19 108.42 2kh2 n GLY 139 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.42 1.89 0.10 -0.02 0.00 -1.17 -5.02 105.19 98.55 2kh2 n GLY 140 Ca 0.00 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 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 0.15 -6.65 1.61 7.50 -1.98 -3.46 115.11 112.28 2kh2 h GLN 141 Ca 0.00 -0.26 -0.51 0.00 0.50 0.00 0.00 58.65 58.38 2kh2 h GLN 141 Cb 0.00 0.10 -0.00 0.00 0.05 0.00 0.00 27.48 27.62 2kh2 h GLN 141 CO 0.00 0.92 0.43 -0.51 -1.50 0.00 0.00 178.83 178.17 2kh2 s ASP 142 N -6.67 7.36 -0.00 1.46 1.01 -1.26 -4.49 116.67 114.08 2kh2 s ASP 142 Ca -0.10 2.01 -0.30 0.00 0.71 0.00 0.00 52.55 54.87 2kh2 s ASP 142 Cb 0.07 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2kh2 s ASP 142 CO 0.82 -0.14 1.13 -0.63 0.21 0.00 0.00 175.17 176.57 2kh2 s ILE 143 N -0.33 4.35 -0.04 0.77 1.09 0.79 -4.70 121.20 123.13 2kh2 s ILE 143 Ca 0.48 1.68 0.10 0.00 -1.10 0.00 0.00 60.65 61.80 2kh2 s ILE 143 Cb -0.28 -4.08 -0.15 0.00 -1.06 0.00 0.00 42.46 36.90 2kh2 s ILE 143 CO 0.34 0.08 0.17 0.35 -0.10 0.00 0.00 174.94 175.78 2kh2 n THR 144 N 4.19 0.19 -3.66 2.92 -2.24 -1.26 -1.82 114.28 112.60 2kh2 n THR 144 Ca 0.09 -0.29 -0.32 0.00 -2.27 0.00 0.00 64.05 61.26 2kh2 n THR 144 Cb 0.48 -0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.63 2kh2 n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2kh2 s ASP 145 N -3.48 6.52 0.30 3.42 -4.77 -1.26 -4.16 116.67 113.24 2kh2 s ASP 145 Ca -0.04 0.63 0.05 0.00 -3.30 0.00 0.00 52.55 49.89 2kh2 s ASP 145 Cb 0.06 -2.11 -0.03 0.00 -1.09 0.00 0.00 42.92 39.75 2kh2 s ASP 145 CO 0.42 0.08 0.25 -0.36 0.70 0.00 0.00 175.17 176.27 2kh2 s PHE 146 N -1.59 1.63 0.01 2.11 0.08 0.11 -3.95 117.98 116.37 2kh2 s PHE 146 Ca 0.39 -1.60 0.08 0.00 0.12 0.00 0.00 56.93 55.92 2kh2 s PHE 146 Cb -0.12 -0.67 -0.02 0.00 -0.57 0.00 0.00 43.02 41.63 2kh2 s PHE 146 CO 0.23 -0.83 -0.25 -0.08 -0.10 0.00 0.00 175.22 174.19 2kh2 s THR 147 N -3.58 1.99 -0.17 0.64 -1.32 0.09 -1.69 115.64 111.60 2kh2 s THR 147 Ca 0.40 -1.18 -0.03 0.00 -1.21 0.00 0.00 61.69 59.67 2kh2 s THR 147 Cb 0.03 -1.68 -0.02 0.00 -1.51 0.00 0.00 72.50 69.32 2kh2 s THR 147 CO 0.25 0.46 -0.06 -0.32 -2.21 0.00 0.00 174.62 172.74 2kh2 s MET 148 N -0.85 3.53 -0.25 7.08 1.75 -1.26 -2.48 119.30 126.81 2kh2 s MET 148 Ca 0.10 -0.58 0.02 0.00 -1.25 0.00 0.00 55.69 53.98 2kh2 s MET 148 Cb -0.10 -2.89 0.06 0.00 2.84 0.00 0.00 34.83 34.74 2kh2 s MET 148 CO 0.00 0.10 -0.11 -0.65 -0.65 0.00 0.00 175.02 173.72 2kh2 s GLN 149 N 0.70 2.20 0.25 4.11 1.11 -0.63 -4.96 119.66 122.43 2kh2 s GLN 149 Ca -0.03 -1.22 -0.30 0.00 0.01 0.00 0.00 55.36 53.83 2kh2 s GLN 149 Cb -0.15 -2.78 -0.09 0.00 -1.01 0.00 0.00 33.01 28.98 2kh2 s GLN 149 CO 0.02 -0.53 0.94 -0.06 0.01 0.00 0.00 175.29 175.67 2kh2 s PHE 150 N 1.18 3.97 0.52 0.91 0.08 -1.26 -0.61 117.98 122.77 2kh2 s PHE 150 Ca -0.07 1.91 0.04 0.00 0.12 0.00 0.00 56.93 58.93 2kh2 s PHE 150 Cb -0.19 -2.97 0.02 0.00 -0.57 0.00 0.00 43.02 39.30 2kh2 s PHE 150 CO -0.06 0.44 0.25 0.14 -0.10 0.00 0.00 175.22 175.89 2kh2 s VAL 151 N -1.21 1.53 -1.40 -0.44 -7.23 -1.06 -4.97 120.40 105.62 2kh2 s VAL 151 Ca 0.42 -1.67 -0.11 0.00 -1.81 0.00 0.00 61.98 58.80 2kh2 s VAL 151 Cb -0.25 -2.20 0.08 0.00 0.56 0.00 0.00 36.38 34.56 2kh2 s VAL 151 CO 0.31 0.00 2.21 -1.20 -0.31 0.00 0.00 175.10 176.11 2kh2 n SER 152 N -1.56 5.39 0.00 4.85 7.64 -1.26 -4.81 113.62 123.87 2kh2 n SER 152 Ca -0.08 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 56.86 2kh2 n SER 152 Cb 0.65 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83