#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 -0.14 -4.31 0.00 0.11 -2.07 -3.44 132.00 122.15 2kh2 h PRO 2 Ca 0.00 0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.80 2kh2 h PRO 2 Cb 0.00 0.03 -0.28 0.00 0.11 0.00 0.00 31.00 30.86 2kh2 h PRO 2 CO 0.00 0.08 -0.75 0.54 -0.21 0.00 0.00 178.00 177.65 2kh2 s VAL 3 N -5.39 0.41 0.17 3.15 0.11 -1.26 -5.14 120.40 112.45 2kh2 s VAL 3 Ca -0.14 -0.28 -0.22 0.00 -2.93 0.00 0.00 61.98 58.40 2kh2 s VAL 3 Cb 0.04 -0.36 -0.08 0.00 -1.53 0.00 0.00 36.38 34.45 2kh2 s VAL 3 CO 0.64 0.08 0.72 -0.13 -3.33 0.00 0.00 175.10 173.07 2kh2 s ARG 4 N -0.23 4.38 0.15 1.54 0.52 -1.26 -5.04 118.95 119.00 2kh2 s ARG 4 Ca 0.01 0.97 -0.17 0.00 -0.52 0.00 0.00 55.73 56.02 2kh2 s ARG 4 Cb -0.03 -3.12 0.03 0.00 0.52 0.00 0.00 34.95 32.36 2kh2 s ARG 4 CO -0.00 0.52 0.44 -1.12 0.02 0.00 0.00 175.30 175.16 2kh2 s SER 5 N -1.32 -0.25 0.36 0.23 0.01 -1.26 -4.29 113.70 107.17 2kh2 s SER 5 Ca 0.37 -0.36 -0.07 0.00 1.31 0.00 0.00 55.95 57.20 2kh2 s SER 5 Cb -0.20 0.51 0.02 0.00 0.21 0.00 0.00 66.02 66.56 2kh2 s SER 5 CO 0.23 -0.91 0.59 -1.48 0.41 0.00 0.00 173.24 172.07 2kh2 s LEU 6 N -2.82 0.67 -0.05 2.44 0.05 -1.19 -5.03 118.68 112.75 2kh2 s LEU 6 Ca 0.05 -1.38 0.04 0.00 0.05 0.00 0.00 54.13 52.89 2kh2 s LEU 6 Cb 0.01 1.95 -0.03 0.00 -2.05 0.00 0.00 46.19 46.08 2kh2 s LEU 6 CO -0.09 -1.44 -0.15 0.20 -0.55 0.00 0.00 176.35 174.31 2kh2 s ASN 7 N -3.18 3.95 0.13 1.48 0.01 -1.26 -1.03 114.94 115.03 2kh2 s ASN 7 Ca 0.25 -0.22 -0.06 0.00 -0.71 0.00 0.00 52.86 52.13 2kh2 s ASN 7 Cb -0.02 -0.82 -0.02 0.00 0.41 0.00 0.00 41.25 40.80 2kh2 s ASN 7 CO 0.17 0.34 0.16 0.00 -1.51 0.00 0.00 177.10 176.27 2kh2 s THR 9 N -3.97 2.15 -0.22 0.00 -4.23 0.15 -0.75 115.64 108.77 2kh2 s THR 9 Ca 0.16 -1.05 -0.08 0.00 -1.18 0.00 0.00 61.69 59.54 2kh2 s THR 9 Cb 0.05 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.08 2kh2 s THR 9 CO -0.02 0.57 0.10 -0.76 -0.54 0.00 0.00 174.62 173.97 2kh2 s LEU 10 N -0.33 3.84 -0.00 4.79 1.43 -1.26 -1.96 118.68 125.19 2kh2 s LEU 10 Ca 0.01 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 2kh2 s LEU 10 Cb -0.12 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 2kh2 s LEU 10 CO 0.02 0.09 -0.07 -0.13 0.23 0.00 0.00 176.35 176.49 2kh2 s ARG 11 N 0.88 0.59 0.78 1.70 0.52 -1.23 -3.39 118.95 118.80 2kh2 s ARG 11 Ca 0.05 -0.31 -0.08 0.00 -0.52 0.00 0.00 55.73 54.88 2kh2 s ARG 11 Cb -0.13 -0.55 0.11 0.00 0.52 0.00 0.00 34.95 34.90 2kh2 s ARG 11 CO 0.03 0.15 1.09 0.16 0.02 0.00 0.00 175.30 176.75 2kh2 s ASP 12 N -0.29 4.25 0.05 0.23 1.47 -0.37 -0.68 116.67 121.33 2kh2 s ASP 12 Ca 0.02 0.22 0.15 0.00 1.18 0.00 0.00 52.55 54.12 2kh2 s ASP 12 Cb -0.03 -0.64 0.66 0.00 -0.34 0.00 0.00 42.92 42.56 2kh2 s ASP 12 CO -0.00 -1.96 1.49 -1.54 0.68 0.00 0.00 175.17 173.83 2kh2 n SER 13 N -3.13 0.13 -0.79 2.11 3.41 -1.25 -1.82 113.62 112.28 2kh2 n SER 13 Ca 0.12 0.53 0.10 0.00 -0.26 0.00 0.00 58.87 59.36 2kh2 n SER 13 Cb 0.60 -0.56 0.28 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.64 2.02 -2.06 4.33 7.27 -1.26 -4.90 117.38 121.13 2kh2 n GLN 14 Ca 0.03 -1.55 -0.10 0.00 0.07 0.00 0.00 57.00 55.45 2kh2 n GLN 14 Cb 0.17 -1.41 -0.01 0.00 2.41 0.00 0.00 30.24 31.40 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 0.77 -0.78 -3.92 3.69 1.13 -0.75 -4.93 117.38 112.58 2kh2 n GLN 15 Ca 0.17 0.53 -0.37 0.00 -1.94 0.00 0.00 57.00 55.39 2kh2 n GLN 15 Cb 0.41 -4.57 -0.06 0.00 0.11 0.00 0.00 30.24 26.13 2kh2 n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2kh2 s LYS 16 N -4.26 3.40 0.16 -1.09 1.02 -1.25 -3.94 119.74 113.78 2kh2 s LYS 16 Ca 0.00 -0.16 0.08 0.00 0.02 0.00 0.00 55.97 55.91 2kh2 s LYS 16 Cb 0.00 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 2kh2 s LYS 16 CO 0.00 0.77 -0.06 -1.12 -0.92 0.00 0.00 175.35 174.02 2kh2 s SER 17 N -1.05 4.50 -0.11 2.83 0.01 0.73 -1.23 113.70 119.38 2kh2 s SER 17 Ca 0.15 -0.47 -0.28 0.00 1.31 0.00 0.00 55.95 56.67 2kh2 s SER 17 Cb -0.12 -0.87 -0.02 0.00 0.21 0.00 0.00 66.02 65.23 2kh2 s SER 17 CO 0.04 0.11 0.91 -0.76 0.41 0.00 0.00 173.24 173.96 2kh2 s LEU 18 N -2.77 4.25 0.19 2.44 1.43 -1.22 -1.83 118.68 121.17 2kh2 s LEU 18 Ca 0.25 1.40 0.08 0.00 -1.03 0.00 0.00 54.13 54.83 2kh2 s LEU 18 Cb -0.09 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 2kh2 s LEU 18 CO 0.16 -0.37 -0.16 0.68 0.23 0.00 0.00 176.35 176.89 2kh2 s VAL 19 N 1.80 1.78 -0.63 -1.59 -7.23 0.12 -1.28 120.40 113.37 2kh2 s VAL 19 Ca 0.44 -2.11 -0.28 0.00 -1.81 0.00 0.00 61.98 58.23 2kh2 s VAL 19 Cb -0.18 -1.97 0.03 0.00 0.56 0.00 0.00 36.38 34.82 2kh2 s VAL 19 CO 0.17 -0.49 1.27 -0.04 -0.31 0.00 0.00 175.10 175.70 2kh2 s MET 20 N -3.33 3.35 0.00 4.82 -1.94 -1.26 -0.50 119.30 120.44 2kh2 s MET 20 Ca 0.20 0.12 0.00 0.00 -1.71 0.00 0.00 55.69 54.30 2kh2 s MET 20 Cb -0.03 -4.10 0.00 0.00 2.01 0.00 0.00 34.83 32.72 2kh2 s MET 20 CO 0.07 -1.91 0.15 0.45 -0.01 0.00 0.00 175.02 173.77 2kh2 n SER 21 N 9.03 0.00 -1.86 3.03 2.88 -0.23 -4.92 113.62 121.55 2kh2 n SER 21 Ca 0.07 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 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 1.31 2.46 0.29 0.46 0.00 -1.15 -4.94 105.19 103.62 2kh2 n GLY 22 Ca 0.00 -2.14 0.03 0.00 0.00 0.00 0.00 46.02 43.91 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 0.48 -0.50 1.61 0.13 -2.04 -3.11 132.00 128.58 2kh2 h PRO 23 Ca 0.00 -0.06 -0.36 0.00 -0.87 0.00 0.00 66.00 64.72 2kh2 h PRO 23 Cb 0.00 -0.10 -0.37 0.00 0.13 0.00 0.00 31.00 30.66 2kh2 h PRO 23 CO 0.00 0.40 -0.90 0.66 -0.23 0.00 0.00 178.00 177.92 2kh2 n TYR 24 N -4.40 1.73 -3.86 1.56 4.01 -1.26 -5.06 117.16 109.88 2kh2 n TYR 24 Ca 0.02 -1.98 -0.11 0.00 -0.16 0.00 0.00 57.90 55.66 2kh2 n TYR 24 Cb 0.13 -0.28 -0.11 0.00 -0.31 0.00 0.00 39.34 38.77 2kh2 n TYR 24 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2kh2 s GLU 25 N -3.35 0.35 0.05 -0.72 2.12 -1.18 -4.37 118.70 111.61 2kh2 s GLU 25 Ca 0.40 -0.21 0.09 0.00 0.36 0.00 0.00 54.97 55.61 2kh2 s GLU 25 Cb 0.37 0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.88 2kh2 s GLU 25 CO -0.02 -0.07 -0.25 -0.51 -0.54 0.00 0.00 175.26 173.87 2kh2 s LEU 26 N -0.88 2.18 0.12 2.70 1.43 -1.26 -1.07 118.68 121.90 2kh2 s LEU 26 Ca -0.10 -0.59 0.07 0.00 -1.03 0.00 0.00 54.13 52.49 2kh2 s LEU 26 Cb -0.06 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 2kh2 s LEU 26 CO 0.01 0.23 -0.18 -0.54 0.23 0.00 0.00 176.35 176.10 2kh2 s LYS 27 N -1.29 1.09 -0.22 1.70 1.02 0.34 -1.38 119.74 121.01 2kh2 s LYS 27 Ca 0.11 -1.20 0.00 0.00 0.02 0.00 0.00 55.97 54.90 2kh2 s LYS 27 Cb -0.10 -1.20 0.03 0.00 -0.52 0.00 0.00 37.83 36.04 2kh2 s LYS 27 CO 0.02 0.26 -0.13 0.00 -0.92 0.00 0.00 175.35 174.58 2kh2 s ALA 28 N -1.56 2.51 0.14 5.17 0.00 0.87 0.14 121.76 129.04 2kh2 s ALA 28 Ca 0.08 -1.39 -0.12 0.00 0.00 0.00 0.00 51.96 50.53 2kh2 s ALA 28 Cb -0.08 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.61 2kh2 s ALA 28 CO 0.04 -0.64 0.34 -0.48 0.00 0.00 0.00 175.76 175.02 2kh2 s LEU 29 N 1.28 0.75 0.14 0.00 0.05 -0.76 -3.41 118.68 116.72 2kh2 s LEU 29 Ca 0.01 -0.61 -0.31 0.00 0.05 0.00 0.00 54.13 53.27 2kh2 s LEU 29 Cb -0.15 1.51 -0.10 0.00 -2.05 0.00 0.00 46.19 45.39 2kh2 s LEU 29 CO -0.08 -0.88 1.79 -1.00 -0.55 0.00 0.00 176.35 175.62 2kh2 s HIS 30 N -3.89 2.33 -0.29 3.48 3.76 -1.26 -0.20 115.29 119.23 2kh2 s HIS 30 Ca 0.09 0.09 0.17 0.00 -0.15 0.00 0.00 55.06 55.27 2kh2 s HIS 30 Cb 0.02 -4.15 0.48 0.00 1.11 0.00 0.00 32.58 30.05 2kh2 s HIS 30 CO -0.06 -4.64 1.09 -0.11 -0.85 0.00 0.00 174.74 170.18 2kh2 n LEU 31 N 5.32 2.47 -1.83 0.89 7.94 -1.25 -4.89 117.00 125.64 2kh2 n LEU 31 Ca 0.17 -3.68 -0.15 0.00 -1.11 0.00 0.00 56.01 51.23 2kh2 n LEU 31 Cb 0.38 0.23 0.04 0.00 0.53 0.00 0.00 43.42 44.60 2kh2 n LEU 31 CO 0.65 1.45 1.16 0.00 -1.11 0.00 0.00 177.39 179.54 2kh2 n GLN 32 N -0.50 1.75 0.00 1.96 1.13 -1.26 -3.79 117.38 116.66 2kh2 n GLN 32 Ca 0.17 -1.50 0.00 0.00 -1.94 0.00 0.00 57.00 53.74 2kh2 n GLN 32 Cb 0.83 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 29.59 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kh2 n GLY 33 N 0.28 5.96 0.08 1.08 0.00 -1.26 -5.00 105.19 106.33 2kh2 n GLY 33 Ca 0.29 -1.61 0.09 0.00 0.00 0.00 0.00 46.02 44.79 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 0.10 -0.45 1.61 -0.06 -1.26 -1.67 117.38 115.64 2kh2 n GLN 34 Ca 0.00 0.41 0.06 0.00 -2.00 0.00 0.00 57.00 55.48 2kh2 n GLN 34 Cb 0.00 -1.72 0.25 0.00 -4.06 0.00 0.00 30.24 24.71 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 -1.92 3.56 0.16 1.69 9.92 -1.26 -4.35 116.55 124.35 2kh2 n ASP 35 Ca 0.02 -2.35 0.14 0.00 -0.53 0.00 0.00 54.79 52.07 2kh2 n ASP 35 Cb 0.15 -0.50 0.70 0.00 -0.64 0.00 0.00 41.12 40.83 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 2.85 0.00 -0.03 -1.24 4.05 -1.42 0.46 114.93 119.60 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 1.14 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 2kh2 h MET 36 CO 0.18 0.00 0.00 0.39 0.23 0.00 0.00 176.91 177.71 2kh2 n GLU 37 N -4.35 1.13 -0.04 0.39 -0.58 -1.26 -3.10 120.64 112.84 2kh2 n GLU 37 Ca 0.02 -0.20 0.12 0.00 -0.42 0.00 0.00 57.16 56.68 2kh2 n GLU 37 Cb 0.30 -1.28 0.51 0.00 -0.57 0.00 0.00 31.44 30.39 2kh2 n GLU 37 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2kh2 n GLN 38 N -0.57 1.51 -2.12 3.49 1.13 0.15 -4.90 117.38 116.07 2kh2 n GLN 38 Ca 0.13 -0.75 -0.40 0.00 -1.94 0.00 0.00 57.00 54.04 2kh2 n GLN 38 Cb 0.11 -1.41 -0.01 0.00 0.11 0.00 0.00 30.24 29.03 2kh2 n GLN 38 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 2kh2 s GLN 39 N -1.91 4.18 0.13 -1.09 0.00 -1.18 -4.61 119.66 115.18 2kh2 s GLN 39 Ca 0.35 2.14 -0.27 0.00 -0.00 0.00 0.00 55.36 57.58 2kh2 s GLN 39 Cb 0.18 -2.91 -0.07 0.00 0.00 0.00 0.00 33.01 30.21 2kh2 s GLN 39 CO 0.29 -0.31 0.84 0.08 0.00 0.00 0.00 175.29 176.19 2kh2 s VAL 40 N -1.22 4.44 -0.21 3.63 1.01 -0.41 -5.02 120.40 122.63 2kh2 s VAL 40 Ca 0.53 1.84 -0.07 0.00 0.00 0.00 0.00 61.98 64.27 2kh2 s VAL 40 Cb -0.38 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 2kh2 s VAL 40 CO 0.50 0.43 0.07 -0.69 0.00 0.00 0.00 175.10 175.40 2kh2 s VAL 41 N -0.60 4.65 -0.16 2.92 1.01 -1.26 -4.43 120.40 122.52 2kh2 s VAL 41 Ca 0.40 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 2kh2 s VAL 41 Cb -0.23 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 2kh2 s VAL 41 CO 0.27 0.41 0.01 -0.36 0.00 0.00 0.00 175.10 175.44 2kh2 s PHE 42 N 0.81 3.15 -0.13 5.22 0.08 0.07 -1.65 117.98 125.52 2kh2 s PHE 42 Ca 0.04 -0.08 -0.27 0.00 0.12 0.00 0.00 56.93 56.74 2kh2 s PHE 42 Cb -0.14 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.30 2kh2 s PHE 42 CO 0.02 0.10 0.90 -1.12 -0.10 0.00 0.00 175.22 175.02 2kh2 s SER 43 N 0.24 7.08 -0.44 1.36 0.01 0.01 -1.58 113.70 120.37 2kh2 s SER 43 Ca 0.01 1.33 -0.16 0.00 1.31 0.00 0.00 55.95 58.44 2kh2 s SER 43 Cb -0.13 -2.49 0.04 0.00 0.21 0.00 0.00 66.02 63.65 2kh2 s SER 43 CO 0.02 -0.40 0.38 -0.04 0.41 0.00 0.00 173.24 173.61 2kh2 s MET 44 N 1.98 3.00 -0.14 12.44 -1.94 -0.20 -3.43 119.30 131.00 2kh2 s MET 44 Ca 0.43 -1.12 -0.06 0.00 -1.71 0.00 0.00 55.69 53.22 2kh2 s MET 44 Cb -0.17 -4.05 -0.04 0.00 2.01 0.00 0.00 34.83 32.58 2kh2 s MET 44 CO 0.15 -0.91 0.07 -1.12 -0.01 0.00 0.00 175.02 173.20 2kh2 s SER 45 N 2.15 5.78 -0.67 3.03 0.01 -1.22 -3.20 113.70 119.57 2kh2 s SER 45 Ca 0.06 0.22 -0.24 0.00 1.31 0.00 0.00 55.95 57.30 2kh2 s SER 45 Cb -0.21 -1.87 0.06 0.00 0.21 0.00 0.00 66.02 64.20 2kh2 s SER 45 CO 0.09 0.30 1.05 -0.36 0.41 0.00 0.00 173.24 174.73 2kh2 s PHE 46 N -0.36 2.57 0.76 2.43 0.40 -1.26 -1.19 117.98 121.33 2kh2 s PHE 46 Ca 0.09 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 55.94 2kh2 s PHE 46 Cb -0.12 -4.38 0.05 0.00 0.51 0.00 0.00 43.02 39.08 2kh2 s PHE 46 CO 0.02 -1.75 1.11 0.14 0.70 0.00 0.00 175.22 175.43 2kh2 s VAL 47 N 4.54 3.09 -0.85 -0.44 -7.23 -1.17 -4.87 120.40 113.47 2kh2 s VAL 47 Ca 0.26 0.35 -0.18 0.00 -1.81 0.00 0.00 61.98 60.60 2kh2 s VAL 47 Cb -0.14 -3.25 0.14 0.00 0.56 0.00 0.00 36.38 33.69 2kh2 s VAL 47 CO 0.12 -0.46 1.00 -1.58 -0.31 0.00 0.00 175.10 173.87 2kh2 s GLN 48 N -5.31 3.49 0.00 4.82 2.00 -1.07 -4.88 119.66 118.71 2kh2 s GLN 48 Ca 0.60 -1.75 0.00 0.00 -2.00 0.00 0.00 55.36 52.20 2kh2 s GLN 48 Cb -0.12 -4.69 0.00 0.00 0.80 0.00 0.00 33.01 29.00 2kh2 s GLN 48 CO 0.52 -1.66 0.00 0.41 -0.50 0.00 0.00 175.29 174.06 2kh2 n GLY 49 N 5.18 4.25 3.57 2.59 0.00 -1.26 -4.95 105.19 114.56 2kh2 n GLY 49 Ca 0.16 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 4.24 3.14 -0.62 1.61 2.56 -1.26 -4.95 118.70 123.41 2kh2 s GLU 50 Ca 0.00 0.41 -0.09 0.00 0.00 0.00 0.00 54.97 55.29 2kh2 s GLU 50 Cb 0.00 -4.19 0.16 0.00 2.00 0.00 0.00 34.13 32.10 2kh2 s GLU 50 CO 0.00 -2.14 0.50 -2.00 -0.56 0.00 0.00 175.26 171.05 2kh2 s GLU 51 N 5.89 2.84 0.65 4.30 2.12 -1.26 -3.88 118.70 129.35 2kh2 s GLU 51 Ca 0.54 -2.18 0.05 0.00 0.36 0.00 0.00 54.97 53.73 2kh2 s GLU 51 Cb -0.11 -4.03 0.11 0.00 0.26 0.00 0.00 34.13 30.36 2kh2 s GLU 51 CO 0.23 -1.22 0.90 -1.12 -0.54 0.00 0.00 175.26 173.50 2kh2 s SER 52 N 2.00 4.70 0.27 -1.70 0.01 -0.27 -5.01 113.70 113.70 2kh2 s SER 52 Ca 0.12 -0.63 0.15 0.00 1.31 0.00 0.00 55.95 56.91 2kh2 s SER 52 Cb -0.20 0.18 0.06 0.00 0.21 0.00 0.00 66.02 66.26 2kh2 s SER 52 CO -0.04 -1.62 1.41 -1.13 0.41 0.00 0.00 173.24 172.28 2kh2 h ASN 53 N -0.18 0.00 0.00 2.44 -0.73 -2.00 -3.37 115.58 111.74 2kh2 h ASN 53 Ca -0.33 0.00 -0.23 0.00 1.87 0.00 0.00 56.30 57.61 2kh2 h ASN 53 Cb 1.28 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.82 2kh2 h ASN 53 CO 0.40 0.49 -1.88 -0.90 -0.37 0.00 0.00 177.43 175.18 2kh2 n ASP 54 N -3.20 2.71 -4.34 1.15 5.75 -1.26 -4.86 116.55 112.49 2kh2 n ASP 54 Ca 0.01 -0.07 -0.45 0.00 -0.01 0.00 0.00 54.79 54.27 2kh2 n ASP 54 Cb 0.74 -0.13 -0.05 0.00 -1.03 0.00 0.00 41.12 40.65 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 -2.31 3.02 -0.22 0.11 1.02 -1.26 -1.33 119.74 118.77 2kh2 s LYS 55 Ca -0.19 -1.51 -0.15 0.00 0.02 0.00 0.00 55.97 54.14 2kh2 s LYS 55 Cb 0.05 -4.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.05 2kh2 s LYS 55 CO 0.37 -1.41 0.35 0.42 -0.92 0.00 0.00 175.35 174.17 2kh2 s ILE 56 N 2.09 5.22 -0.41 2.17 -1.09 0.77 -1.11 121.20 128.85 2kh2 s ILE 56 Ca 0.07 0.58 -0.27 0.00 -2.23 0.00 0.00 60.65 58.80 2kh2 s ILE 56 Cb -0.27 -3.68 0.02 0.00 -1.58 0.00 0.00 42.46 36.95 2kh2 s ILE 56 CO 0.05 0.25 1.00 -2.16 -1.23 0.00 0.00 174.94 172.85 2kh2 s PRO 57 N 1.41 3.78 0.06 2.79 0.04 -1.25 -0.06 135.00 141.77 2kh2 s PRO 57 Ca 0.16 0.56 -0.01 0.00 0.04 0.00 0.00 61.00 61.75 2kh2 s PRO 57 Cb -0.15 -3.84 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 2kh2 s PRO 57 CO 0.08 -1.10 -0.02 0.14 0.04 0.00 0.00 177.00 176.14 2kh2 s VAL 58 N 3.79 0.20 0.18 -0.36 -7.23 -0.39 -3.02 120.40 113.56 2kh2 s VAL 58 Ca 0.41 -1.82 0.04 0.00 -1.81 0.00 0.00 61.98 58.80 2kh2 s VAL 58 Cb -0.10 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 2kh2 s VAL 58 CO 0.23 -0.91 0.21 0.00 -0.31 0.00 0.00 175.10 174.31 2kh2 s ALA 59 N -3.94 3.73 -0.26 1.32 0.00 -0.33 -0.51 121.76 121.77 2kh2 s ALA 59 Ca 0.10 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2kh2 s ALA 59 Cb 0.08 -1.53 0.08 0.00 0.00 0.00 0.00 23.12 21.75 2kh2 s ALA 59 CO -0.08 0.47 0.01 -0.51 0.00 0.00 0.00 175.76 175.64 2kh2 s LEU 60 N -3.30 2.68 0.07 0.00 1.43 -1.25 -3.45 118.68 114.86 2kh2 s LEU 60 Ca 0.33 -1.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.07 2kh2 s LEU 60 Cb -0.10 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 2kh2 s LEU 60 CO 0.26 -0.31 -0.12 -0.83 0.23 0.00 0.00 176.35 175.58 2kh2 s GLY 61 N 1.42 0.80 0.26 -3.19 0.00 -1.22 -0.81 107.32 104.57 2kh2 s GLY 61 Ca 0.01 -1.01 -0.30 0.00 0.00 0.00 0.00 44.72 43.42 2kh2 s GLY 61 CO -0.11 -1.06 1.32 1.08 0.00 0.00 0.00 173.10 174.33 2kh2 s LEU 62 N -1.92 4.42 0.18 0.66 1.02 0.33 -0.81 118.68 122.56 2kh2 s LEU 62 Ca -0.01 2.55 -0.33 0.00 0.02 0.00 0.00 54.13 56.35 2kh2 s LEU 62 Cb -0.08 -3.63 -0.13 0.00 0.02 0.00 0.00 46.19 42.37 2kh2 s LEU 62 CO 0.01 -0.53 1.57 1.17 0.02 0.00 0.00 176.35 178.59 2kh2 n LYS 63 N 1.81 2.22 -1.67 1.70 4.81 -0.66 -2.03 118.16 124.35 2kh2 n LYS 63 Ca 0.04 0.80 -0.11 0.00 -0.87 0.00 0.00 58.31 58.16 2kh2 n LYS 63 Cb 0.42 -2.56 -0.04 0.00 0.02 0.00 0.00 35.03 32.87 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 3.20 -1.56 -4.31 1.64 0.00 -1.26 -4.93 120.64 113.42 2kh2 n GLU 64 Ca 0.16 0.64 -0.17 0.00 0.00 0.00 0.00 57.16 57.78 2kh2 n GLU 64 Cb 0.30 -4.96 -0.10 0.00 0.00 0.00 0.00 31.44 26.68 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 -3.59 1.22 -0.05 3.44 1.02 -0.86 -5.03 119.74 115.88 2kh2 s LYS 65 Ca 0.00 -1.53 0.14 0.00 0.02 0.00 0.00 55.97 54.60 2kh2 s LYS 65 Cb 0.00 -0.93 0.48 0.00 -0.52 0.00 0.00 37.83 36.87 2kh2 s LYS 65 CO 0.00 0.14 1.37 0.27 -0.92 0.00 0.00 175.35 176.21 2kh2 n ASN 66 N -0.29 3.21 -4.58 2.83 6.94 -1.26 -4.54 115.26 117.57 2kh2 n ASN 66 Ca -0.09 -2.21 -0.41 0.00 -0.02 0.00 0.00 54.58 51.85 2kh2 n ASN 66 Cb 0.60 -0.43 -0.07 0.00 -2.36 0.00 0.00 39.78 37.52 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 -1.29 4.24 0.08 -4.53 1.43 -1.26 -1.50 118.68 115.85 2kh2 s LEU 67 Ca 0.35 0.20 0.10 0.00 -1.03 0.00 0.00 54.13 53.74 2kh2 s LEU 67 Cb 0.21 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.64 2kh2 s LEU 67 CO 0.19 -0.54 -0.25 -0.31 0.23 0.00 0.00 176.35 175.67 2kh2 s TYR 68 N 2.63 2.35 -0.04 0.29 1.51 -0.37 -0.52 117.35 123.20 2kh2 s TYR 68 Ca 0.24 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.62 2kh2 s TYR 68 Cb -0.15 -1.35 -0.05 0.00 -0.11 0.00 0.00 41.96 40.31 2kh2 s TYR 68 CO 0.14 0.23 1.43 -0.51 -1.11 0.00 0.00 175.55 175.72 2kh2 s LEU 69 N -1.59 4.29 -0.05 -1.29 1.43 0.01 -0.57 118.68 120.91 2kh2 s LEU 69 Ca 0.13 2.07 0.05 0.00 -1.03 0.00 0.00 54.13 55.35 2kh2 s LEU 69 Cb -0.10 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 2kh2 s LEU 69 CO 0.04 -0.77 -0.21 -0.55 0.23 0.00 0.00 176.35 175.09 2kh2 s SER 70 N 2.21 2.59 -0.37 2.29 0.15 0.60 -4.46 113.70 116.71 2kh2 s SER 70 Ca 0.64 -0.43 -0.13 0.00 0.70 0.00 0.00 55.95 56.73 2kh2 s SER 70 Cb -0.30 -0.73 0.00 0.00 -1.71 0.00 0.00 66.02 63.28 2kh2 s SER 70 CO 0.25 0.19 0.25 0.00 1.20 0.00 0.00 173.24 175.14 2kh2 s VAL 72 N 1.68 1.05 -0.26 0.00 -7.23 -0.45 -4.74 120.40 110.45 2kh2 s VAL 72 Ca 0.05 -2.03 -0.09 0.00 -1.81 0.00 0.00 61.98 58.10 2kh2 s VAL 72 Cb -0.18 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2kh2 s VAL 72 CO 0.10 -0.21 0.13 -0.76 -0.31 0.00 0.00 175.10 174.05 2kh2 s LEU 73 N -3.36 3.74 -0.04 1.32 1.43 -1.26 0.50 118.68 121.00 2kh2 s LEU 73 Ca 0.31 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 2kh2 s LEU 73 Cb 0.06 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.29 2kh2 s LEU 73 CO 0.11 -0.04 -0.02 -0.54 0.23 0.00 0.00 176.35 176.09 2kh2 s LYS 74 N 1.67 0.59 -1.32 1.70 1.02 -0.37 -4.81 119.74 118.21 2kh2 s LYS 74 Ca 0.07 -0.01 -0.07 0.00 0.02 0.00 0.00 55.97 55.98 2kh2 s LYS 74 Cb -0.15 -0.70 0.01 0.00 -0.52 0.00 0.00 37.83 36.47 2kh2 s LYS 74 CO 0.07 -0.12 1.13 -3.47 -0.92 0.00 0.00 175.35 172.04 2kh2 n ASP 75 N 4.18 -5.17 -1.73 2.83 4.64 -1.26 -1.64 116.55 118.40 2kh2 n ASP 75 Ca -0.24 -0.57 -0.20 0.00 -1.38 0.00 0.00 54.79 52.40 2kh2 n ASP 75 Cb 0.51 -5.02 -0.07 0.00 -1.04 0.00 0.00 41.12 35.50 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 -3.04 -5.28 -3.83 1.67 9.92 -1.26 -4.97 116.55 109.75 2kh2 n ASP 76 Ca -0.07 0.40 -0.18 0.00 -0.53 0.00 0.00 54.79 54.41 2kh2 n ASP 76 Cb 0.59 -4.64 -0.16 0.00 -0.64 0.00 0.00 41.12 36.27 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 -3.93 0.46 0.03 -1.24 2.47 -0.65 -5.11 119.74 111.76 2kh2 s LYS 77 Ca 0.00 0.03 -0.30 0.00 -1.56 0.00 0.00 55.97 54.14 2kh2 s LYS 77 Cb 0.00 -0.61 -0.08 0.00 -1.46 0.00 0.00 37.83 35.68 2kh2 s LYS 77 CO 0.00 -0.13 1.87 -2.14 0.16 0.00 0.00 175.35 175.10 2kh2 s PRO 78 N 1.08 4.15 0.15 4.03 0.02 -1.26 -1.24 135.00 141.93 2kh2 s PRO 78 Ca -0.09 2.51 0.08 0.00 0.02 0.00 0.00 61.00 63.52 2kh2 s PRO 78 Cb -0.14 -4.02 -0.04 0.00 0.02 0.00 0.00 34.50 30.32 2kh2 s PRO 78 CO -0.01 -0.90 -0.18 0.95 -0.33 0.00 0.00 177.00 176.52 2kh2 s THR 79 N 4.04 1.70 -0.02 0.99 -4.23 0.18 -4.66 115.64 113.64 2kh2 s THR 79 Ca 0.83 -1.82 -0.03 0.00 -1.18 0.00 0.00 61.69 59.49 2kh2 s THR 79 Cb -0.41 -1.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.65 2kh2 s THR 79 CO 0.38 -0.30 0.19 -0.22 -0.54 0.00 0.00 174.62 174.12 2kh2 s LEU 80 N -2.52 4.37 0.34 4.79 2.96 -1.26 -1.34 118.68 126.02 2kh2 s LEU 80 Ca 0.13 0.37 -0.15 0.00 -0.22 0.00 0.00 54.13 54.26 2kh2 s LEU 80 Cb -0.06 -2.58 0.03 0.00 0.50 0.00 0.00 46.19 44.08 2kh2 s LEU 80 CO 0.05 0.27 0.71 0.00 -1.32 0.00 0.00 176.35 176.07 2kh2 s GLN 81 N -1.86 2.03 -0.21 1.98 -2.07 -0.43 -4.95 119.66 114.15 2kh2 s GLN 81 Ca 0.26 -1.34 -0.04 0.00 -1.82 0.00 0.00 55.36 52.43 2kh2 s GLN 81 Cb -0.13 0.59 -0.01 0.00 -1.09 0.00 0.00 33.01 32.37 2kh2 s GLN 81 CO 0.17 -0.93 -0.04 -0.51 -1.32 0.00 0.00 175.29 172.67 2kh2 s LEU 82 N -3.04 2.94 -0.15 2.60 2.01 -1.26 -0.29 118.68 121.49 2kh2 s LEU 82 Ca 0.17 -0.36 -0.04 0.00 0.01 0.00 0.00 54.13 53.90 2kh2 s LEU 82 Cb -0.04 -1.74 -0.03 0.00 0.01 0.00 0.00 46.19 44.38 2kh2 s LEU 82 CO 0.11 0.00 -0.00 -1.61 1.01 0.00 0.00 176.35 175.86 2kh2 s GLU 83 N 1.34 3.62 -0.51 1.70 2.02 0.27 -4.87 118.70 122.26 2kh2 s GLU 83 Ca 0.04 -0.45 -0.22 0.00 0.02 0.00 0.00 54.97 54.35 2kh2 s GLU 83 Cb -0.14 -2.97 0.04 0.00 0.10 0.00 0.00 34.13 31.16 2kh2 s GLU 83 CO -0.02 0.34 0.81 -1.12 0.02 0.00 0.00 175.26 175.30 2kh2 s SER 84 N 0.12 6.32 0.41 -0.19 0.01 -1.26 -1.24 113.70 117.87 2kh2 s SER 84 Ca 0.01 -0.46 0.08 0.00 1.31 0.00 0.00 55.95 56.89 2kh2 s SER 84 Cb -0.13 -2.38 -0.00 0.00 0.21 0.00 0.00 66.02 63.71 2kh2 s SER 84 CO 0.02 -1.06 0.48 0.68 0.41 0.00 0.00 173.24 173.77 2kh2 s VAL 85 N 3.42 2.97 -0.05 3.43 -7.23 -0.56 -5.02 120.40 117.35 2kh2 s VAL 85 Ca 0.26 -1.15 -0.32 0.00 -1.81 0.00 0.00 61.98 58.96 2kh2 s VAL 85 Cb -0.14 -3.04 -0.10 0.00 0.56 0.00 0.00 36.38 33.66 2kh2 s VAL 85 CO 0.18 -0.02 1.95 -0.67 -0.31 0.00 0.00 175.10 176.23 2kh2 n ASP 86 N -1.70 3.71 0.29 4.85 4.64 -1.26 -4.83 116.55 122.25 2kh2 n ASP 86 Ca 0.05 0.89 0.16 0.00 -1.38 0.00 0.00 54.79 54.52 2kh2 n ASP 86 Cb 0.60 -1.44 0.83 0.00 -1.04 0.00 0.00 41.12 40.07 2kh2 n ASP 86 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2kh2 h PRO 87 N 10.19 0.00 0.00 -0.67 0.13 -1.94 -1.09 132.00 138.62 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 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kh2 h PRO 87 CO 0.95 0.06 -1.90 0.36 -0.23 0.00 0.00 178.00 177.23 2kh2 n LYS 88 N -3.34 0.62 0.00 0.86 2.85 -1.26 -4.22 118.16 113.68 2kh2 n LYS 88 Ca -0.01 -0.18 0.11 0.00 -1.05 0.00 0.00 58.31 57.19 2kh2 n LYS 88 Cb 0.22 -1.53 0.10 0.00 -0.65 0.00 0.00 35.03 33.17 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 -2.24 1.43 -4.17 -5.58 3.02 -1.03 -4.93 115.26 101.76 2kh2 n ASN 89 Ca -0.03 -1.13 -0.17 0.00 -0.03 0.00 0.00 54.58 53.21 2kh2 n ASN 89 Cb 0.56 0.46 -0.12 0.00 -0.61 0.00 0.00 39.78 40.07 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 -2.63 1.15 0.88 3.10 1.51 -0.44 -4.51 117.35 116.41 2kh2 s TYR 90 Ca 0.17 -0.52 -0.11 0.00 -1.01 0.00 0.00 57.07 55.61 2kh2 s TYR 90 Cb 0.18 -0.64 0.17 0.00 -0.11 0.00 0.00 41.96 41.56 2kh2 s TYR 90 CO 0.62 0.04 1.21 -1.25 -1.11 0.00 0.00 175.55 175.07 2kh2 s PRO 91 N -2.06 1.04 0.10 -1.71 0.04 -1.26 -4.74 135.00 126.42 2kh2 s PRO 91 Ca 0.00 -0.59 -0.06 0.00 0.04 0.00 0.00 61.00 60.39 2kh2 s PRO 91 Cb -0.08 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2kh2 s PRO 91 CO 0.02 -2.06 0.14 -1.59 0.04 0.00 0.00 177.00 173.55 2kh2 s LYS 92 N -5.64 0.87 0.04 4.56 -2.85 -1.26 -5.07 119.74 110.38 2kh2 s LYS 92 Ca 0.71 -1.12 -0.21 0.00 -1.00 0.00 0.00 55.97 54.35 2kh2 s LYS 92 Cb -0.05 0.31 -0.14 0.00 -2.06 0.00 0.00 37.83 35.89 2kh2 s LYS 92 CO 0.50 -0.26 1.37 -0.22 0.10 0.00 0.00 175.35 176.84 2kh2 h LYS 93 N 2.81 0.31 -4.33 1.78 3.64 -1.98 -3.36 116.57 115.43 2kh2 h LYS 93 Ca -0.34 -0.15 -0.75 0.00 -1.27 0.00 0.00 60.65 58.15 2kh2 h LYS 93 Cb 1.19 -0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.79 2kh2 h LYS 93 CO 0.57 0.67 0.48 0.21 -2.27 0.00 0.00 179.45 179.11 2kh2 s LYS 94 N -4.45 3.67 0.66 1.90 2.47 -1.26 -2.59 119.74 120.14 2kh2 s LYS 94 Ca -0.14 -2.25 -0.04 0.00 -1.56 0.00 0.00 55.97 51.98 2kh2 s LYS 94 Cb 0.05 -4.67 0.06 0.00 -1.46 0.00 0.00 37.83 31.81 2kh2 s LYS 94 CO 0.74 -1.50 0.93 -1.64 0.16 0.00 0.00 175.35 174.04 2kh2 s MET 95 N 1.13 2.25 0.48 4.03 -1.94 -1.26 -5.04 119.30 118.94 2kh2 s MET 95 Ca 0.26 -0.51 -0.22 0.00 -1.71 0.00 0.00 55.69 53.51 2kh2 s MET 95 Cb -0.08 -2.29 -0.07 0.00 2.01 0.00 0.00 34.83 34.40 2kh2 s MET 95 CO -0.09 -1.09 1.15 -1.21 -0.01 0.00 0.00 175.02 173.78 2kh2 s GLU 96 N -5.08 3.68 0.61 2.03 8.01 -1.26 -4.90 118.70 121.80 2kh2 s GLU 96 Ca 0.60 1.73 0.32 0.00 0.01 0.00 0.00 54.97 57.62 2kh2 s GLU 96 Cb -0.10 -2.32 1.80 0.00 -4.31 0.00 0.00 34.13 29.20 2kh2 s GLU 96 CO 0.43 -0.61 2.13 -0.22 0.01 0.00 0.00 175.26 177.00 2kh2 h LYS 97 N 1.87 0.00 0.00 1.61 3.64 -1.97 0.10 116.57 121.82 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 0.59 0.00 -0.06 2.89 -2.27 0.00 0.00 179.45 180.61 2kh2 n ARG 98 N -3.56 0.08 0.00 1.90 1.85 -1.26 -3.11 116.66 112.57 2kh2 n ARG 98 Ca 0.00 0.06 0.07 0.00 -1.00 0.00 0.00 57.85 56.99 2kh2 n ARG 98 Cb 0.28 -1.59 0.05 0.00 -1.05 0.00 0.00 32.46 30.14 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 -1.73 0.00 -3.70 2.89 3.72 0.32 -0.93 117.46 118.02 2kh2 n PHE 99 Ca 0.06 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.11 2kh2 n PHE 99 Cb 0.37 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.82 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 -1.38 5.36 0.06 -4.37 1.01 -1.04 -3.89 120.40 116.15 2kh2 s VAL 100 Ca 0.16 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.39 2kh2 s VAL 100 Cb 0.12 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2kh2 s VAL 100 CO 0.23 0.39 -0.19 -0.36 0.00 0.00 0.00 175.10 175.18 2kh2 s PHE 101 N 0.72 2.54 -0.46 5.22 0.40 0.33 -2.43 117.98 124.30 2kh2 s PHE 101 Ca 0.08 -0.27 -0.12 0.00 -0.60 0.00 0.00 56.93 56.02 2kh2 s PHE 101 Cb -0.12 -1.43 0.09 0.00 0.51 0.00 0.00 43.02 42.06 2kh2 s PHE 101 CO 0.01 0.28 0.34 1.21 0.70 0.00 0.00 175.22 177.76 2kh2 s ASN 102 N -1.59 5.88 -0.56 1.36 3.04 0.23 -1.26 114.94 122.03 2kh2 s ASN 102 Ca 0.15 -1.51 -0.28 0.00 0.04 0.00 0.00 52.86 51.25 2kh2 s ASN 102 Cb -0.10 -2.08 0.03 0.00 -1.54 0.00 0.00 41.25 37.55 2kh2 s ASN 102 CO 0.06 -0.62 1.19 -0.75 -3.04 0.00 0.00 177.10 173.93 2kh2 s LYS 103 N 1.51 3.55 -0.03 0.43 2.20 0.91 -1.17 119.74 127.15 2kh2 s LYS 103 Ca 0.04 0.32 -0.16 0.00 -0.36 0.00 0.00 55.97 55.80 2kh2 s LYS 103 Cb -0.24 -4.00 -0.05 0.00 -1.51 0.00 0.00 37.83 32.03 2kh2 s LYS 103 CO 0.03 -1.63 0.44 0.42 -0.36 0.00 0.00 175.35 174.26 2kh2 s ILE 104 N 4.88 5.04 -0.65 5.43 1.01 0.37 -0.17 121.20 137.12 2kh2 s ILE 104 Ca 0.44 0.91 0.05 0.00 0.00 0.00 0.00 60.65 62.05 2kh2 s ILE 104 Cb -0.07 -3.76 0.18 0.00 0.01 0.00 0.00 42.46 38.82 2kh2 s ILE 104 CO 0.27 0.50 0.52 -0.62 0.00 0.00 0.00 174.94 175.60 2kh2 n GLU 105 N 2.39 1.70 0.40 2.79 1.02 -0.44 0.00 120.64 128.50 2kh2 n GLU 105 Ca -0.12 -4.31 -0.16 0.00 -0.02 0.00 0.00 57.16 52.55 2kh2 n GLU 105 Cb 0.52 -2.17 -0.08 0.00 -0.02 0.00 0.00 31.44 29.69 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 4.16 0.00 0.00 -3.67 3.07 -1.87 -3.47 117.51 115.74 2kh2 h ILE 106 Ca 0.17 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 66.38 2kh2 h ILE 106 Cb 0.76 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.31 2kh2 h ILE 106 CO 0.68 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.32 2kh2 n ASN 107 N -5.36 0.00 -0.24 2.16 0.23 -1.26 -4.97 115.26 105.81 2kh2 n ASN 107 Ca -0.13 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 54.06 2kh2 n ASN 107 Cb 0.41 0.00 0.54 0.00 -2.08 0.00 0.00 39.78 38.65 2kh2 n ASN 107 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2kh2 n ASN 108 N 0.00 0.88 -4.33 0.53 3.02 -1.26 -4.85 115.26 109.26 2kh2 n ASN 108 Ca 0.00 -0.95 -0.18 0.00 -0.03 0.00 0.00 54.58 53.41 2kh2 n ASN 108 Cb 0.00 0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.09 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2kh2 s LYS 109 N -2.32 1.28 0.11 3.52 -0.14 -1.26 -4.99 119.74 115.93 2kh2 s LYS 109 Ca 0.31 -1.53 0.08 0.00 -1.36 0.00 0.00 55.97 53.48 2kh2 s LYS 109 Cb 0.20 -1.09 -0.04 0.00 -1.68 0.00 0.00 37.83 35.22 2kh2 s LYS 109 CO 0.44 0.19 -0.21 -0.48 -0.76 0.00 0.00 175.35 174.53 2kh2 s LEU 110 N -3.15 2.30 0.22 3.17 0.05 -0.66 -3.45 118.68 117.16 2kh2 s LEU 110 Ca 0.20 -0.70 0.09 0.00 0.05 0.00 0.00 54.13 53.78 2kh2 s LEU 110 Cb -0.01 -0.92 -0.04 0.00 -2.05 0.00 0.00 46.19 43.17 2kh2 s LEU 110 CO 0.06 0.07 -0.08 -1.61 -0.55 0.00 0.00 176.35 174.24 2kh2 s GLU 111 N -1.94 2.10 -0.33 1.48 2.02 0.10 -0.48 118.70 121.65 2kh2 s GLU 111 Ca 0.07 -1.38 0.03 0.00 0.02 0.00 0.00 54.97 53.72 2kh2 s GLU 111 Cb -0.10 -2.12 0.10 0.00 0.10 0.00 0.00 34.13 32.11 2kh2 s GLU 111 CO 0.04 0.40 0.04 -0.06 0.02 0.00 0.00 175.26 175.70 2kh2 s PHE 112 N -2.00 3.70 0.02 1.61 0.08 -1.26 -0.48 117.98 119.64 2kh2 s PHE 112 Ca 0.28 -2.89 -0.12 0.00 0.12 0.00 0.00 56.93 54.32 2kh2 s PHE 112 Cb -0.08 -2.82 -0.06 0.00 -0.57 0.00 0.00 43.02 39.49 2kh2 s PHE 112 CO 0.17 -0.94 0.38 -2.00 -0.10 0.00 0.00 175.22 172.73 2kh2 s GLU 113 N 0.94 3.81 -0.01 0.44 2.12 -0.31 -1.78 118.70 123.91 2kh2 s GLU 113 Ca 0.08 0.27 -0.29 0.00 0.36 0.00 0.00 54.97 55.39 2kh2 s GLU 113 Cb -0.19 -3.12 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 2kh2 s GLU 113 CO -0.07 0.64 0.92 0.45 -0.54 0.00 0.00 175.26 176.66 2kh2 s SER 114 N -1.37 7.29 0.19 -1.70 0.15 -0.04 0.74 113.70 118.97 2kh2 s SER 114 Ca 0.27 1.56 -0.05 0.00 0.70 0.00 0.00 55.95 58.43 2kh2 s SER 114 Cb -0.15 -2.54 0.12 0.00 -1.71 0.00 0.00 66.02 61.74 2kh2 s SER 114 CO 0.15 -0.22 1.56 0.00 1.20 0.00 0.00 173.24 175.93 2kh2 h ALA 115 N 6.72 0.76 -0.28 5.45 0.00 -1.69 -3.02 119.26 127.20 2kh2 h ALA 115 Ca -0.41 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 53.94 2kh2 h ALA 115 Cb 1.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2kh2 h ALA 115 CO 0.75 0.66 -0.34 0.37 0.00 0.00 0.00 179.25 180.68 2kh2 h GLN 116 N 0.60 0.61 -3.85 0.00 5.75 -1.77 -3.39 115.11 113.07 2kh2 h GLN 116 Ca 0.05 -0.29 -0.63 0.00 -0.15 0.00 0.00 58.65 57.64 2kh2 h GLN 116 Cb 0.91 -0.01 -0.40 0.00 1.07 0.00 0.00 27.48 29.05 2kh2 h GLN 116 CO 0.08 0.87 -0.72 -0.06 -2.65 0.00 0.00 178.83 176.36 2kh2 s PHE 117 N -4.36 2.80 0.38 3.99 0.08 -1.14 -5.08 117.98 114.65 2kh2 s PHE 117 Ca -0.08 -2.61 -0.28 0.00 0.12 0.00 0.00 56.93 54.09 2kh2 s PHE 117 Cb 0.13 -2.41 -0.11 0.00 -0.57 0.00 0.00 43.02 40.06 2kh2 s PHE 117 CO 0.82 -0.86 1.46 -2.14 -0.10 0.00 0.00 175.22 174.40 2kh2 s PRO 118 N 0.77 4.07 0.00 0.24 0.02 -1.21 -2.26 135.00 136.62 2kh2 s PRO 118 Ca 0.13 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.67 2kh2 s PRO 118 Cb -0.21 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.38 2kh2 s PRO 118 CO -0.09 -0.54 0.00 0.09 -0.33 0.00 0.00 177.00 176.12 2kh2 n ASN 119 N 0.39 -2.17 -4.33 2.53 5.03 -1.26 -4.98 115.26 110.47 2kh2 n ASN 119 Ca 0.01 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.08 2kh2 n ASN 119 Cb 0.40 -1.00 -0.12 0.00 -1.02 0.00 0.00 39.78 38.04 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2kh2 s TRP 120 N -2.38 3.24 0.22 3.10 0.52 -0.96 -4.42 118.94 118.26 2kh2 s TRP 120 Ca 0.00 -1.18 0.08 0.00 0.02 0.00 0.00 56.10 55.02 2kh2 s TRP 120 Cb 0.00 -2.35 -0.04 0.00 -1.15 0.00 0.00 33.47 29.93 2kh2 s TRP 120 CO 0.00 -0.68 0.01 0.71 0.02 0.00 0.00 176.95 177.02 2kh2 s TYR 121 N 1.48 2.80 -0.11 -1.98 1.51 0.06 -0.86 117.35 120.26 2kh2 s TYR 121 Ca 0.00 -0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 55.60 2kh2 s TYR 121 Cb -0.19 -1.30 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 2kh2 s TYR 121 CO 0.05 0.56 1.63 0.42 -1.11 0.00 0.00 175.55 177.09 2kh2 s ILE 122 N -2.00 3.65 0.19 2.71 1.01 -0.73 -1.02 121.20 125.01 2kh2 s ILE 122 Ca 0.29 0.77 0.10 0.00 0.00 0.00 0.00 60.65 61.82 2kh2 s ILE 122 Cb -0.08 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 2kh2 s ILE 122 CO 0.20 -0.12 -0.21 -0.44 0.00 0.00 0.00 174.94 174.36 2kh2 s SER 123 N 3.58 3.10 0.01 3.58 0.01 0.37 -4.56 113.70 119.79 2kh2 s SER 123 Ca 0.72 -0.89 -0.01 0.00 1.31 0.00 0.00 55.95 57.08 2kh2 s SER 123 Cb -0.30 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 65.70 2kh2 s SER 123 CO 0.28 0.03 -0.00 0.42 0.41 0.00 0.00 173.24 174.39 2kh2 s THR 124 N -1.98 0.05 0.75 1.44 -4.23 -1.02 -2.25 115.64 108.40 2kh2 s THR 124 Ca 0.20 -0.45 -0.11 0.00 -1.18 0.00 0.00 61.69 60.15 2kh2 s THR 124 Cb -0.06 -0.15 0.06 0.00 1.34 0.00 0.00 72.50 73.68 2kh2 s THR 124 CO 0.09 -0.25 1.11 -0.44 -0.54 0.00 0.00 174.62 174.59 2kh2 s SER 125 N -0.73 4.87 0.17 3.99 0.01 -1.26 -0.00 113.70 120.74 2kh2 s SER 125 Ca -0.08 0.81 0.26 0.00 1.31 0.00 0.00 55.95 58.25 2kh2 s SER 125 Cb -0.05 -1.44 0.91 0.00 0.21 0.00 0.00 66.02 65.65 2kh2 s SER 125 CO -0.00 -1.66 1.78 0.00 0.41 0.00 0.00 173.24 173.77 2kh2 n GLN 126 N -3.12 0.19 -2.46 12.44 1.13 -1.26 -4.82 117.38 119.48 2kh2 n GLN 126 Ca 0.07 0.21 -0.34 0.00 -1.94 0.00 0.00 57.00 55.00 2kh2 n GLN 126 Cb 0.60 -1.75 -0.02 0.00 0.11 0.00 0.00 30.24 29.17 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 2.83 0.34 -1.58 0.00 -1.26 -5.02 121.76 113.96 2kh2 s ALA 127 Ca 0.10 0.68 -0.26 0.00 0.00 0.00 0.00 51.96 52.49 2kh2 s ALA 127 Cb 0.13 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 2kh2 s ALA 127 CO 0.54 -0.45 0.98 -2.00 0.00 0.00 0.00 175.76 174.83 2kh2 s GLU 128 N -3.20 4.48 -1.08 0.00 2.56 -1.26 -3.80 118.70 116.39 2kh2 s GLU 128 Ca 0.68 1.40 -0.01 0.00 0.00 0.00 0.00 54.97 57.04 2kh2 s GLU 128 Cb -0.19 -2.75 0.00 0.00 2.00 0.00 0.00 34.13 33.19 2kh2 s GLU 128 CO 0.22 0.17 0.14 -1.71 -0.56 0.00 0.00 175.26 173.53 2kh2 n ASN 129 N 0.43 -4.26 -4.86 -1.70 5.15 -1.25 -5.01 115.26 103.76 2kh2 n ASN 129 Ca 0.03 -0.08 -0.36 0.00 -0.60 0.00 0.00 54.58 53.57 2kh2 n ASN 129 Cb 0.50 -3.33 -0.06 0.00 -0.53 0.00 0.00 39.78 36.36 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 -4.89 3.76 0.98 1.20 -1.94 -1.22 -4.89 119.30 112.30 2kh2 s MET 130 Ca 0.07 0.19 -0.15 0.00 -1.71 0.00 0.00 55.69 54.10 2kh2 s MET 130 Cb -0.03 -3.11 0.18 0.00 2.01 0.00 0.00 34.83 33.88 2kh2 s MET 130 CO 0.09 0.64 1.18 -1.25 -0.01 0.00 0.00 175.02 175.67 2kh2 s PRO 131 N -1.50 0.55 -0.13 2.03 0.04 -1.26 -0.09 135.00 134.63 2kh2 s PRO 131 Ca 0.27 0.02 -0.09 0.00 0.04 0.00 0.00 61.00 61.24 2kh2 s PRO 131 Cb -0.15 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2kh2 s PRO 131 CO 0.15 -2.55 0.17 0.08 0.04 0.00 0.00 177.00 174.89 2kh2 s VAL 132 N -3.40 5.43 0.30 -0.36 1.01 -0.48 -4.62 120.40 118.29 2kh2 s VAL 132 Ca 0.68 0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.93 2kh2 s VAL 132 Cb -0.11 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 2kh2 s VAL 132 CO 0.54 0.56 0.37 0.72 0.00 0.00 0.00 175.10 177.28 2kh2 s PHE 133 N -0.61 1.15 -0.22 5.22 -0.71 -0.95 -4.87 117.98 116.99 2kh2 s PHE 133 Ca 0.14 -1.32 -0.08 0.00 -1.04 0.00 0.00 56.93 54.63 2kh2 s PHE 133 Cb -0.12 -0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.37 2kh2 s PHE 133 CO 0.03 -0.97 0.09 -1.17 -1.34 0.00 0.00 175.22 171.87 2kh2 s LEU 134 N -3.23 3.78 0.16 -1.99 2.96 -1.26 -0.48 118.68 118.63 2kh2 s LEU 134 Ca 0.33 0.00 0.05 0.00 -0.22 0.00 0.00 54.13 54.30 2kh2 s LEU 134 Cb 0.02 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2kh2 s LEU 134 CO 0.19 0.08 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.36 2kh2 s GLY 135 N 0.94 1.17 -0.02 7.98 0.00 -0.19 -4.89 107.32 112.31 2kh2 s GLY 135 Ca 0.05 -1.54 0.11 0.00 0.00 0.00 0.00 44.72 43.34 2kh2 s GLY 135 CO 0.03 -1.64 1.26 0.61 0.00 0.00 0.00 173.10 173.36 2kh2 n GLY 136 N -0.24 2.95 3.08 0.20 0.00 -1.26 -0.76 105.19 109.16 2kh2 n GLY 136 Ca -0.10 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 2kh2 n GLY 136 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kh2 n THR 137 N 0.31 4.86 -2.06 2.61 -1.04 -1.26 -4.93 114.28 112.76 2kh2 n THR 137 Ca 0.12 -5.34 -0.43 0.00 -2.04 0.00 0.00 64.05 56.36 2kh2 n THR 137 Cb 0.47 -2.28 -0.03 0.00 -1.82 0.00 0.00 70.33 66.68 2kh2 n THR 137 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kh2 s LYS 138 N -1.31 3.62 0.00 -2.82 2.20 -1.26 -2.28 119.74 117.89 2kh2 s LYS 138 Ca 0.34 1.59 0.00 0.00 -0.36 0.00 0.00 55.97 57.54 2kh2 s LYS 138 Cb 0.03 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.24 2kh2 s LYS 138 CO 0.04 -1.51 0.00 0.41 -0.36 0.00 0.00 175.35 173.93 2kh2 n GLY 139 N 4.97 0.53 0.00 5.54 0.00 -1.26 -5.05 105.19 109.92 2kh2 n GLY 139 Ca 0.20 -0.85 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 -2.66 1.11 0.08 -0.02 0.00 -0.97 -5.00 105.19 97.73 2kh2 n GLY 140 Ca 0.00 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 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 0.09 -7.30 1.61 7.50 -1.97 -3.46 115.11 111.58 2kh2 h GLN 141 Ca 0.00 -0.09 -0.44 0.00 0.50 0.00 0.00 58.65 58.62 2kh2 h GLN 141 Cb 0.00 0.02 0.18 0.00 0.05 0.00 0.00 27.48 27.73 2kh2 h GLN 141 CO 0.00 0.81 0.12 -0.51 -1.50 0.00 0.00 178.83 177.75 2kh2 s ASP 142 N -6.10 1.82 -0.25 1.46 1.01 -1.26 -4.72 116.67 108.62 2kh2 s ASP 142 Ca -0.17 1.18 -0.14 0.00 0.71 0.00 0.00 52.55 54.14 2kh2 s ASP 142 Cb 0.00 -1.84 -0.04 0.00 1.01 0.00 0.00 42.92 42.05 2kh2 s ASP 142 CO 0.71 -3.63 0.32 -0.63 0.21 0.00 0.00 175.17 172.15 2kh2 s ILE 143 N -2.82 5.23 -0.99 0.77 1.01 1.00 -4.72 121.20 120.68 2kh2 s ILE 143 Ca 0.67 0.49 0.09 0.00 0.00 0.00 0.00 60.65 61.90 2kh2 s ILE 143 Cb -0.19 -3.65 0.11 0.00 0.01 0.00 0.00 42.46 38.74 2kh2 s ILE 143 CO 0.59 0.22 0.88 0.35 0.00 0.00 0.00 174.94 176.99 2kh2 n THR 144 N 4.80 0.26 -4.98 2.92 -2.24 -1.26 -2.45 114.28 111.33 2kh2 n THR 144 Ca -0.10 -0.63 -0.31 0.00 -2.27 0.00 0.00 64.05 60.74 2kh2 n THR 144 Cb 0.51 1.00 -0.14 0.00 -2.10 0.00 0.00 70.33 69.60 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 -0.79 3.47 0.33 3.42 -4.77 -1.26 -4.43 116.67 112.63 2kh2 s ASP 145 Ca 0.12 -0.43 0.06 0.00 -3.30 0.00 0.00 52.55 49.01 2kh2 s ASP 145 Cb 0.08 -0.50 -0.03 0.00 -1.09 0.00 0.00 42.92 41.37 2kh2 s ASP 145 CO 0.11 0.30 0.25 -0.36 0.70 0.00 0.00 175.17 176.17 2kh2 s PHE 146 N -0.75 1.70 0.21 2.11 0.08 0.37 -3.95 117.98 117.74 2kh2 s PHE 146 Ca 0.12 -1.59 0.11 0.00 0.12 0.00 0.00 56.93 55.68 2kh2 s PHE 146 Cb -0.10 -0.75 -0.04 0.00 -0.57 0.00 0.00 43.02 41.55 2kh2 s PHE 146 CO 0.01 -0.78 -0.19 0.95 -0.10 0.00 0.00 175.22 175.11 2kh2 s THR 147 N -3.50 2.58 -0.65 0.64 -4.23 0.15 -1.66 115.64 108.98 2kh2 s THR 147 Ca 0.39 -2.04 0.05 0.00 -1.18 0.00 0.00 61.69 58.91 2kh2 s THR 147 Cb 0.03 -2.28 0.20 0.00 1.34 0.00 0.00 72.50 71.79 2kh2 s THR 147 CO 0.25 -0.19 0.58 0.80 -0.54 0.00 0.00 174.62 175.52 2kh2 n MET 148 N -0.01 1.91 -2.77 3.99 1.56 -1.26 -3.47 117.12 117.06 2kh2 n MET 148 Ca -0.10 -4.40 -0.42 0.00 -0.27 0.00 0.00 57.70 52.51 2kh2 n MET 148 Cb 0.57 -2.18 -0.03 0.00 2.15 0.00 0.00 33.22 33.73 2kh2 n MET 148 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2kh2 s GLN 149 N -1.70 4.50 0.10 2.12 1.11 -0.83 -4.84 119.66 120.12 2kh2 s GLN 149 Ca 0.31 1.30 -0.25 0.00 0.01 0.00 0.00 55.36 56.73 2kh2 s GLN 149 Cb 0.04 -3.48 -0.07 0.00 -1.01 0.00 0.00 33.01 28.50 2kh2 s GLN 149 CO -0.11 -0.10 0.77 -0.06 0.01 0.00 0.00 175.29 175.80 2kh2 s PHE 150 N 1.23 3.82 0.53 0.91 0.08 -1.26 0.35 117.98 123.63 2kh2 s PHE 150 Ca 0.48 1.55 0.00 0.00 0.12 0.00 0.00 56.93 59.08 2kh2 s PHE 150 Cb -0.20 -2.79 -0.00 0.00 -0.57 0.00 0.00 43.02 39.46 2kh2 s PHE 150 CO 0.23 0.39 0.02 0.14 -0.10 0.00 0.00 175.22 175.90 2kh2 s VAL 151 N -0.57 1.06 -0.67 -0.44 -7.23 -1.19 -4.93 120.40 106.42 2kh2 s VAL 151 Ca 0.37 -1.98 -0.04 0.00 -1.81 0.00 0.00 61.98 58.52 2kh2 s VAL 151 Cb -0.22 -2.04 0.10 0.00 0.56 0.00 0.00 36.38 34.79 2kh2 s VAL 151 CO 0.24 0.00 2.61 -1.20 -0.31 0.00 0.00 175.10 176.45 2kh2 n SER 152 N -1.33 6.89 0.00 4.85 7.64 -1.26 -4.78 113.62 125.63 2kh2 n SER 152 Ca -0.21 -3.26 0.00 0.00 1.01 0.00 0.00 58.87 56.41 2kh2 n SER 152 Cb 0.67 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83