#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 0.00 -5.23 0.00 0.11 -2.07 -3.41 132.00 121.39 2kh2 h PRO 2 Ca 0.00 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.45 2kh2 h PRO 2 Cb 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 30.95 2kh2 h PRO 2 CO 0.00 0.40 0.66 0.54 -0.21 0.00 0.00 178.00 179.39 2kh2 s VAL 3 N -3.00 4.52 -0.10 3.15 0.11 -1.26 -5.01 120.40 118.81 2kh2 s VAL 3 Ca 0.04 -0.93 -0.21 0.00 -2.93 0.00 0.00 61.98 57.94 2kh2 s VAL 3 Cb 0.07 -4.72 -0.04 0.00 -1.53 0.00 0.00 36.38 30.17 2kh2 s VAL 3 CO 0.74 -1.47 0.63 -0.13 -3.33 0.00 0.00 175.10 171.54 2kh2 s ARG 4 N 3.41 4.37 -0.14 1.54 0.52 -1.26 -5.01 118.95 122.38 2kh2 s ARG 4 Ca 0.26 0.71 -0.12 0.00 -0.52 0.00 0.00 55.73 56.07 2kh2 s ARG 4 Cb -0.12 -3.47 0.04 0.00 0.52 0.00 0.00 34.95 31.93 2kh2 s ARG 4 CO 0.01 0.04 0.37 -1.12 0.02 0.00 0.00 175.30 174.63 2kh2 s SER 5 N 0.81 -0.40 0.17 0.23 0.01 -1.26 -1.77 113.70 111.48 2kh2 s SER 5 Ca 0.33 0.76 0.04 0.00 1.31 0.00 0.00 55.95 58.39 2kh2 s SER 5 Cb -0.17 0.75 -0.05 0.00 0.21 0.00 0.00 66.02 66.77 2kh2 s SER 5 CO 0.14 -0.14 -0.07 -1.48 0.41 0.00 0.00 173.24 172.11 2kh2 s LEU 6 N 0.40 2.42 -0.10 2.44 0.05 -0.99 -4.95 118.68 117.95 2kh2 s LEU 6 Ca -0.02 -1.07 -0.01 0.00 0.05 0.00 0.00 54.13 53.08 2kh2 s LEU 6 Cb -0.04 -0.29 -0.03 0.00 -2.05 0.00 0.00 46.19 43.79 2kh2 s LEU 6 CO -0.02 -0.40 -0.06 0.20 -0.55 0.00 0.00 176.35 175.52 2kh2 s ASN 7 N -3.19 4.66 0.17 1.48 0.01 -1.26 0.12 114.94 116.92 2kh2 s ASN 7 Ca 0.20 -0.07 -0.12 0.00 -0.71 0.00 0.00 52.86 52.15 2kh2 s ASN 7 Cb 0.04 -1.39 0.01 0.00 0.41 0.00 0.00 41.25 40.31 2kh2 s ASN 7 CO 0.02 0.29 0.37 0.00 -1.51 0.00 0.00 177.10 176.27 2kh2 s THR 9 N -3.91 2.60 -0.17 0.00 2.01 0.42 -0.49 115.64 116.09 2kh2 s THR 9 Ca 0.12 -0.89 -0.07 0.00 0.31 0.00 0.00 61.69 61.16 2kh2 s THR 9 Cb 0.02 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 2kh2 s THR 9 CO -0.03 0.58 0.07 -0.76 -0.69 0.00 0.00 174.62 173.79 2kh2 s LEU 10 N -0.55 3.87 -0.05 4.42 1.43 -1.26 -2.10 118.68 124.44 2kh2 s LEU 10 Ca 0.08 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 2kh2 s LEU 10 Cb -0.11 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.15 2kh2 s LEU 10 CO 0.01 0.22 -0.13 -0.13 0.23 0.00 0.00 176.35 176.55 2kh2 s ARG 11 N 0.09 1.52 1.11 1.70 0.52 -1.23 -4.20 118.95 118.46 2kh2 s ARG 11 Ca 0.05 -0.45 -0.19 0.00 -0.52 0.00 0.00 55.73 54.63 2kh2 s ARG 11 Cb -0.12 -1.31 0.27 0.00 0.52 0.00 0.00 34.95 34.31 2kh2 s ARG 11 CO 0.01 0.13 1.08 -0.40 0.02 0.00 0.00 175.30 176.13 2kh2 n ASP 12 N 3.42 -1.59 0.00 0.23 5.68 -1.23 -0.35 116.55 122.72 2kh2 n ASP 12 Ca -0.20 -1.20 0.02 0.00 -0.50 0.00 0.00 54.79 52.91 2kh2 n ASP 12 Cb 0.53 -0.95 0.10 0.00 -1.14 0.00 0.00 41.12 39.66 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2kh2 n SER 13 N -4.57 0.00 -0.73 -1.12 3.41 -1.25 -0.30 113.62 109.07 2kh2 n SER 13 Ca 0.15 0.40 0.10 0.00 -0.26 0.00 0.00 58.87 59.25 2kh2 n SER 13 Cb 0.55 -0.42 0.07 0.00 -0.26 0.00 0.00 64.21 64.15 2kh2 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kh2 n GLN 14 N -1.42 1.65 -2.43 4.33 1.13 -1.26 -4.97 117.38 114.41 2kh2 n GLN 14 Ca 0.01 -1.56 -0.12 0.00 -1.94 0.00 0.00 57.00 53.39 2kh2 n GLN 14 Cb 0.05 -1.36 0.01 0.00 0.11 0.00 0.00 30.24 29.04 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 0.96 -1.75 -1.92 -1.09 1.13 0.59 -5.00 117.38 110.30 2kh2 n GLN 15 Ca 0.11 0.55 -0.30 0.00 -1.94 0.00 0.00 57.00 55.42 2kh2 n GLN 15 Cb 0.47 -4.66 0.04 0.00 0.11 0.00 0.00 30.24 26.20 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 -4.85 2.95 0.11 -1.09 1.02 -1.26 -4.50 119.74 112.12 2kh2 s LYS 16 Ca 0.08 0.46 0.09 0.00 0.02 0.00 0.00 55.97 56.62 2kh2 s LYS 16 Cb -0.03 -2.05 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 2kh2 s LYS 16 CO 0.09 -0.95 -0.23 -1.12 -0.92 0.00 0.00 175.35 172.22 2kh2 s SER 17 N -4.33 2.84 -0.21 2.83 0.01 0.11 -3.50 113.70 111.44 2kh2 s SER 17 Ca 0.57 -0.70 -0.19 0.00 1.31 0.00 0.00 55.95 56.94 2kh2 s SER 17 Cb -0.11 -0.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.92 2kh2 s SER 17 CO 0.51 0.11 0.57 -0.76 0.41 0.00 0.00 173.24 174.08 2kh2 s LEU 18 N -1.93 4.13 0.16 2.44 1.43 -1.26 -0.97 118.68 122.68 2kh2 s LEU 18 Ca 0.09 0.72 0.10 0.00 -1.03 0.00 0.00 54.13 54.02 2kh2 s LEU 18 Cb -0.10 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 2kh2 s LEU 18 CO 0.05 -0.24 -0.23 0.68 0.23 0.00 0.00 176.35 176.84 2kh2 s VAL 19 N 1.86 2.14 -0.59 -1.59 -7.23 0.87 -0.41 120.40 115.44 2kh2 s VAL 19 Ca 0.26 -1.87 -0.27 0.00 -1.81 0.00 0.00 61.98 58.28 2kh2 s VAL 19 Cb -0.16 -1.96 0.03 0.00 0.56 0.00 0.00 36.38 34.86 2kh2 s VAL 19 CO 0.10 -0.09 1.15 -0.04 -0.31 0.00 0.00 175.10 175.90 2kh2 s MET 20 N -2.42 3.43 0.00 4.82 -1.94 -1.26 -0.81 119.30 121.12 2kh2 s MET 20 Ca 0.16 0.07 0.00 0.00 -1.71 0.00 0.00 55.69 54.21 2kh2 s MET 20 Cb -0.08 -4.05 0.00 0.00 2.01 0.00 0.00 34.83 32.71 2kh2 s MET 20 CO 0.07 -1.70 0.18 0.45 -0.01 0.00 0.00 175.02 174.02 2kh2 n SER 21 N 8.34 0.00 -2.64 3.03 2.88 0.28 -4.97 113.62 120.54 2kh2 n SER 21 Ca 0.06 0.37 -0.05 0.00 -1.33 0.00 0.00 58.87 57.92 2kh2 n SER 21 Cb 0.49 -0.25 0.01 0.00 -0.75 0.00 0.00 64.21 63.70 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 1.52 2.40 0.25 0.46 0.00 -1.15 -4.94 105.19 103.73 2kh2 n GLY 22 Ca 0.00 -2.17 0.09 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.03 132.00 128.41 2kh2 h PRO 23 Ca -0.07 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.83 2kh2 h PRO 23 Cb 0.28 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.08 2kh2 h PRO 23 CO 0.10 0.11 -0.93 0.66 -0.23 0.00 0.00 178.00 177.71 2kh2 n TYR 24 N -4.16 0.86 -4.02 1.56 4.01 -1.26 -5.07 117.16 109.08 2kh2 n TYR 24 Ca -0.03 -1.49 -0.14 0.00 -0.16 0.00 0.00 57.90 56.09 2kh2 n TYR 24 Cb 0.19 -0.23 -0.14 0.00 -0.31 0.00 0.00 39.34 38.85 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 -2.40 0.24 -0.01 -0.72 2.12 -1.15 -4.78 118.70 112.00 2kh2 s GLU 25 Ca 0.36 -0.16 0.04 0.00 0.36 0.00 0.00 54.97 55.57 2kh2 s GLU 25 Cb 0.37 -0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.55 2kh2 s GLU 25 CO -0.08 0.05 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.05 2kh2 s LEU 26 N -0.22 2.03 0.20 2.70 1.02 -1.26 -0.55 118.68 122.60 2kh2 s LEU 26 Ca -0.00 -0.26 0.09 0.00 0.02 0.00 0.00 54.13 53.97 2kh2 s LEU 26 Cb -0.02 -0.71 -0.05 0.00 0.02 0.00 0.00 46.19 45.44 2kh2 s LEU 26 CO -0.00 0.16 -0.16 -0.54 0.02 0.00 0.00 176.35 175.83 2kh2 s LYS 27 N -0.36 1.36 -0.18 1.70 1.02 0.01 -3.22 119.74 120.07 2kh2 s LYS 27 Ca 0.05 -1.55 0.00 0.00 0.02 0.00 0.00 55.97 54.49 2kh2 s LYS 27 Cb -0.05 -1.27 0.01 0.00 -0.52 0.00 0.00 37.83 36.00 2kh2 s LYS 27 CO -0.00 0.23 -0.18 0.00 -0.92 0.00 0.00 175.35 174.48 2kh2 s ALA 28 N -2.62 2.40 0.05 5.17 0.00 0.96 -0.09 121.76 127.63 2kh2 s ALA 28 Ca 0.21 -1.18 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 2kh2 s ALA 28 Cb -0.03 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.89 2kh2 s ALA 28 CO 0.08 -0.30 0.38 -0.48 0.00 0.00 0.00 175.76 175.44 2kh2 s LEU 29 N 1.22 0.54 0.23 0.00 0.05 -0.14 -2.61 118.68 117.97 2kh2 s LEU 29 Ca 0.03 -0.09 -0.32 0.00 0.05 0.00 0.00 54.13 53.80 2kh2 s LEU 29 Cb -0.14 1.64 -0.12 0.00 -2.05 0.00 0.00 46.19 45.52 2kh2 s LEU 29 CO -0.09 -0.67 1.68 1.41 -0.55 0.00 0.00 176.35 178.12 2kh2 n HIS 30 N 0.45 2.74 -3.66 3.48 8.25 -1.26 0.08 115.22 125.30 2kh2 n HIS 30 Ca -0.18 0.12 -0.29 0.00 -0.26 0.00 0.00 57.72 57.10 2kh2 n HIS 30 Cb 0.60 -2.64 -0.13 0.00 1.12 0.00 0.00 29.99 28.93 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 0.71 2.12 -0.17 2.41 2.96 -1.26 -4.86 118.68 120.59 2kh2 s LEU 31 Ca 0.72 -2.23 0.14 0.00 -0.22 0.00 0.00 54.13 52.54 2kh2 s LEU 31 Cb -0.52 -0.83 0.42 0.00 0.50 0.00 0.00 46.19 45.77 2kh2 s LEU 31 CO 0.37 -0.32 1.21 0.00 -1.32 0.00 0.00 176.35 176.29 2kh2 n GLN 32 N 4.04 1.32 -4.07 1.98 1.13 -1.26 -4.92 117.38 115.60 2kh2 n GLN 32 Ca 0.06 -3.07 -0.28 0.00 -1.94 0.00 0.00 57.00 51.77 2kh2 n GLN 32 Cb 0.37 -1.31 -0.01 0.00 0.11 0.00 0.00 30.24 29.40 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2kh2 s GLY 33 N -3.00 2.54 0.49 1.08 0.00 -1.26 -5.01 107.32 102.15 2kh2 s GLY 33 Ca 0.37 -0.92 0.23 0.00 0.00 0.00 0.00 44.72 44.40 2kh2 s GLY 33 CO -0.09 -2.01 2.01 -1.61 0.00 0.00 0.00 173.10 171.40 2kh2 h GLN 34 N 0.79 0.00 -0.99 2.90 5.75 -2.05 -2.59 115.11 118.93 2kh2 h GLN 34 Ca -0.37 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.05 2kh2 h GLN 34 Cb 1.31 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.82 2kh2 h GLN 34 CO 0.59 0.17 0.09 -0.40 -2.65 0.00 0.00 178.83 176.64 2kh2 n ASP 35 N -3.81 2.88 0.06 -0.69 5.75 -1.26 -4.34 116.55 115.14 2kh2 n ASP 35 Ca -0.02 -2.26 0.05 0.00 -0.01 0.00 0.00 54.79 52.54 2kh2 n ASP 35 Cb 0.27 -0.56 0.24 0.00 -1.03 0.00 0.00 41.12 40.04 2kh2 n ASP 35 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 2kh2 n MET 36 N 0.19 0.05 -0.11 0.11 1.56 -0.98 -1.86 117.12 116.08 2kh2 n MET 36 Ca 0.10 0.54 0.02 0.00 -0.27 0.00 0.00 57.70 58.09 2kh2 n MET 36 Cb 0.65 -1.67 0.08 0.00 2.15 0.00 0.00 33.22 34.43 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 -1.79 1.48 0.00 2.12 1.02 -1.26 -3.41 120.64 118.80 2kh2 n GLU 37 Ca -0.00 -0.61 0.12 0.00 -0.02 0.00 0.00 57.16 56.65 2kh2 n GLU 37 Cb 0.02 -1.24 0.28 0.00 -0.02 0.00 0.00 31.44 30.48 2kh2 n GLU 37 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2kh2 n GLN 38 N 0.01 0.69 -1.53 3.49 6.02 -0.78 -4.94 117.38 120.35 2kh2 n GLN 38 Ca 0.06 -0.44 -0.31 0.00 -0.01 0.00 0.00 57.00 56.29 2kh2 n GLN 38 Cb 0.21 -1.49 0.07 0.00 1.02 0.00 0.00 30.24 30.04 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 -2.62 2.65 -0.01 -1.09 -2.07 -1.22 -4.17 119.66 111.12 2kh2 s GLN 39 Ca 0.20 0.91 -0.07 0.00 -1.82 0.00 0.00 55.36 54.58 2kh2 s GLN 39 Cb 0.19 -1.96 -0.05 0.00 -1.09 0.00 0.00 33.01 30.10 2kh2 s GLN 39 CO 0.58 -1.29 0.26 0.08 -1.32 0.00 0.00 175.29 173.59 2kh2 s VAL 40 N -3.05 5.32 -0.17 3.63 1.01 0.46 -4.91 120.40 122.67 2kh2 s VAL 40 Ca 0.59 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.75 2kh2 s VAL 40 Cb -0.14 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 2kh2 s VAL 40 CO 0.55 0.42 -0.05 -0.69 0.00 0.00 0.00 175.10 175.33 2kh2 s VAL 41 N -1.24 3.63 -0.12 2.92 1.01 -1.26 -4.69 120.40 120.65 2kh2 s VAL 41 Ca 0.25 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 2kh2 s VAL 41 Cb -0.13 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 2kh2 s VAL 41 CO 0.14 0.47 0.22 -0.36 0.00 0.00 0.00 175.10 175.58 2kh2 s PHE 42 N 0.72 3.56 -0.30 5.22 0.08 0.35 -2.34 117.98 125.27 2kh2 s PHE 42 Ca -0.02 0.60 -0.22 0.00 0.12 0.00 0.00 56.93 57.41 2kh2 s PHE 42 Cb -0.15 -2.14 -0.00 0.00 -0.57 0.00 0.00 43.02 40.16 2kh2 s PHE 42 CO 0.02 0.53 0.72 -1.12 -0.10 0.00 0.00 175.22 175.27 2kh2 s SER 43 N -0.46 6.60 -0.55 1.36 0.01 0.53 -1.24 113.70 119.94 2kh2 s SER 43 Ca 0.16 0.58 -0.18 0.00 1.31 0.00 0.00 55.95 57.81 2kh2 s SER 43 Cb -0.13 -2.38 0.09 0.00 0.21 0.00 0.00 66.02 63.82 2kh2 s SER 43 CO 0.05 -0.55 0.63 -0.32 0.41 0.00 0.00 173.24 173.46 2kh2 s MET 44 N 2.80 3.05 -0.03 12.44 1.75 0.12 -2.85 119.30 136.58 2kh2 s MET 44 Ca 0.29 -1.24 -0.19 0.00 -1.25 0.00 0.00 55.69 53.30 2kh2 s MET 44 Cb -0.14 -4.21 -0.05 0.00 2.84 0.00 0.00 34.83 33.26 2kh2 s MET 44 CO 0.12 -1.38 0.54 -1.12 -0.65 0.00 0.00 175.02 172.52 2kh2 s SER 45 N 3.26 6.88 -0.80 1.11 0.01 -1.09 -2.34 113.70 120.73 2kh2 s SER 45 Ca 0.11 1.05 -0.23 0.00 1.31 0.00 0.00 55.95 58.18 2kh2 s SER 45 Cb -0.23 -2.33 0.07 0.00 0.21 0.00 0.00 66.02 63.74 2kh2 s SER 45 CO 0.08 0.12 1.17 -0.36 0.41 0.00 0.00 173.24 174.65 2kh2 s PHE 46 N -0.14 2.62 0.98 2.43 0.08 -0.73 -0.85 117.98 122.37 2kh2 s PHE 46 Ca 0.29 -0.62 -0.17 0.00 0.12 0.00 0.00 56.93 56.55 2kh2 s PHE 46 Cb -0.17 -4.46 0.23 0.00 -0.57 0.00 0.00 43.02 38.05 2kh2 s PHE 46 CO 0.15 -1.79 1.29 1.33 -0.10 0.00 0.00 175.22 176.10 2kh2 n VAL 47 N 6.15 0.00 -3.63 -0.44 0.24 -1.23 -4.76 118.33 114.66 2kh2 n VAL 47 Ca 0.10 -0.92 -0.39 0.00 -2.04 0.00 0.00 64.34 61.08 2kh2 n VAL 47 Cb 0.48 -1.50 -0.10 0.00 -1.47 0.00 0.00 33.84 31.26 2kh2 n VAL 47 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2kh2 s GLN 48 N -5.83 2.36 0.00 7.34 2.00 -0.57 -4.88 119.66 120.08 2kh2 s GLN 48 Ca 0.74 -1.72 0.00 0.00 -2.00 0.00 0.00 55.36 52.38 2kh2 s GLN 48 Cb -0.02 -3.79 0.00 0.00 0.80 0.00 0.00 33.01 30.00 2kh2 s GLN 48 CO 0.52 -1.11 0.00 0.41 -0.50 0.00 0.00 175.29 174.61 2kh2 n GLY 49 N 4.81 4.54 3.52 2.59 0.00 -1.26 -4.88 105.19 114.51 2kh2 n GLY 49 Ca -0.07 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 4.82 3.78 -1.11 1.61 2.56 -1.26 -4.93 118.70 124.17 2kh2 s GLU 50 Ca 0.00 -1.74 -0.21 0.00 0.00 0.00 0.00 54.97 53.02 2kh2 s GLU 50 Cb 0.00 -5.25 0.06 0.00 2.00 0.00 0.00 34.13 30.94 2kh2 s GLU 50 CO 0.00 -2.04 1.54 -1.21 -0.56 0.00 0.00 175.26 172.99 2kh2 s GLU 51 N 3.67 3.72 0.73 4.30 2.02 -1.26 -4.23 118.70 127.66 2kh2 s GLU 51 Ca 0.44 -1.40 -0.01 0.00 0.02 0.00 0.00 54.97 54.02 2kh2 s GLU 51 Cb -0.01 -5.41 0.13 0.00 0.10 0.00 0.00 34.13 28.94 2kh2 s GLU 51 CO -0.04 -2.22 1.01 -1.12 0.02 0.00 0.00 175.26 172.91 2kh2 s SER 52 N 4.74 4.28 0.05 -0.19 0.01 -0.64 -5.03 113.70 116.91 2kh2 s SER 52 Ca 0.48 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 57.37 2kh2 s SER 52 Cb 0.01 0.04 -0.26 0.00 0.21 0.00 0.00 66.02 66.02 2kh2 s SER 52 CO -0.04 -1.91 1.02 -1.13 0.41 0.00 0.00 173.24 171.59 2kh2 h ASN 53 N -0.57 0.25 -0.36 2.44 -0.73 -2.01 -3.33 115.58 111.28 2kh2 h ASN 53 Ca -0.36 -0.31 -0.04 0.00 1.87 0.00 0.00 56.30 57.45 2kh2 h ASN 53 Cb 1.26 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 39.75 2kh2 h ASN 53 CO 0.39 1.26 0.02 -0.90 -0.37 0.00 0.00 177.43 177.83 2kh2 n ASP 54 N -3.40 4.06 -3.60 1.15 5.75 -1.26 -4.91 116.55 114.34 2kh2 n ASP 54 Ca -0.10 -3.11 -0.03 0.00 -0.01 0.00 0.00 54.79 51.54 2kh2 n ASP 54 Cb 1.01 -0.59 -0.06 0.00 -1.03 0.00 0.00 41.12 40.45 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2kh2 s LYS 55 N -2.89 0.53 -0.22 0.11 2.20 -1.25 -1.87 119.74 116.35 2kh2 s LYS 55 Ca 0.45 1.07 -0.00 0.00 -0.36 0.00 0.00 55.97 57.13 2kh2 s LYS 55 Cb 0.37 0.36 0.02 0.00 -1.51 0.00 0.00 37.83 37.08 2kh2 s LYS 55 CO 0.09 -0.14 -0.11 0.42 -0.36 0.00 0.00 175.35 175.25 2kh2 s ILE 56 N 2.02 2.55 -0.21 5.43 -1.09 0.29 -1.62 121.20 128.56 2kh2 s ILE 56 Ca -0.08 -1.03 -0.29 0.00 -2.23 0.00 0.00 60.65 57.03 2kh2 s ILE 56 Cb -0.07 -2.23 -0.01 0.00 -1.58 0.00 0.00 42.46 38.57 2kh2 s ILE 56 CO -0.18 0.31 1.28 -2.16 -1.23 0.00 0.00 174.94 172.96 2kh2 s PRO 57 N 1.30 4.12 0.24 2.79 0.04 -1.26 -1.36 135.00 140.86 2kh2 s PRO 57 Ca 0.01 1.51 -0.00 0.00 0.04 0.00 0.00 61.00 62.56 2kh2 s PRO 57 Cb -0.16 -3.81 -0.03 0.00 0.04 0.00 0.00 34.50 30.54 2kh2 s PRO 57 CO -0.07 -0.86 0.20 0.14 0.04 0.00 0.00 177.00 176.45 2kh2 s VAL 58 N 3.83 0.00 0.15 -0.36 -7.23 -0.25 -3.48 120.40 113.05 2kh2 s VAL 58 Ca 0.55 -1.94 0.06 0.00 -1.81 0.00 0.00 61.98 58.84 2kh2 s VAL 58 Cb -0.20 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 2kh2 s VAL 58 CO 0.18 0.00 0.01 0.00 -0.31 0.00 0.00 175.10 174.98 2kh2 s ALA 59 N -3.96 3.27 -0.25 1.32 0.00 -0.03 -0.34 121.76 121.77 2kh2 s ALA 59 Ca 0.38 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2kh2 s ALA 59 Cb 0.05 -1.10 0.07 0.00 0.00 0.00 0.00 23.12 22.15 2kh2 s ALA 59 CO 0.15 0.55 -0.01 -0.51 0.00 0.00 0.00 175.76 175.95 2kh2 s LEU 60 N -2.76 2.58 0.16 0.00 1.43 -1.26 -2.68 118.68 116.16 2kh2 s LEU 60 Ca 0.27 -1.30 0.05 0.00 -1.03 0.00 0.00 54.13 52.12 2kh2 s LEU 60 Cb -0.10 -1.11 -0.05 0.00 0.03 0.00 0.00 46.19 44.96 2kh2 s LEU 60 CO 0.19 -0.28 -0.10 -0.83 0.23 0.00 0.00 176.35 175.55 2kh2 s GLY 61 N 1.43 1.16 0.20 -3.19 0.00 -1.13 -0.99 107.32 104.79 2kh2 s GLY 61 Ca -0.01 -1.54 -0.30 0.00 0.00 0.00 0.00 44.72 42.87 2kh2 s GLY 61 CO -0.09 -1.63 0.98 1.08 0.00 0.00 0.00 173.10 173.44 2kh2 s LEU 62 N -3.20 4.58 0.02 0.66 1.02 -0.19 -0.35 118.68 121.22 2kh2 s LEU 62 Ca 0.18 1.96 -0.36 0.00 0.02 0.00 0.00 54.13 55.93 2kh2 s LEU 62 Cb 0.02 -3.61 -0.15 0.00 0.02 0.00 0.00 46.19 42.48 2kh2 s LEU 62 CO 0.02 0.01 1.55 1.17 0.02 0.00 0.00 176.35 179.13 2kh2 n LYS 63 N 1.93 1.58 -3.01 1.70 4.81 -0.99 -1.59 118.16 122.59 2kh2 n LYS 63 Ca -0.00 0.57 -0.18 0.00 -0.87 0.00 0.00 58.31 57.83 2kh2 n LYS 63 Cb 0.47 -2.29 -0.00 0.00 0.02 0.00 0.00 35.03 33.23 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 3.85 -3.01 -4.36 1.64 0.00 -1.26 -4.96 120.64 112.53 2kh2 n GLU 64 Ca 0.20 0.49 -0.18 0.00 0.00 0.00 0.00 57.16 57.67 2kh2 n GLU 64 Cb 0.22 -5.15 -0.10 0.00 0.00 0.00 0.00 31.44 26.41 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 -5.63 1.43 -0.10 3.44 1.02 -0.62 -5.03 119.74 114.25 2kh2 s LYS 65 Ca 0.25 -1.74 0.18 0.00 0.02 0.00 0.00 55.97 54.68 2kh2 s LYS 65 Cb -0.13 -0.69 0.67 0.00 -0.52 0.00 0.00 37.83 37.15 2kh2 s LYS 65 CO 0.30 -0.12 1.58 0.27 -0.92 0.00 0.00 175.35 176.47 2kh2 n ASN 66 N -0.49 4.48 -4.58 2.83 6.94 -1.26 -4.66 115.26 118.53 2kh2 n ASN 66 Ca -0.04 -2.40 -0.41 0.00 -0.02 0.00 0.00 54.58 51.71 2kh2 n ASN 66 Cb 0.65 -0.54 -0.08 0.00 -2.36 0.00 0.00 39.78 37.45 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 -1.75 4.23 0.09 -4.53 1.43 -1.26 -1.67 118.68 115.22 2kh2 s LEU 67 Ca 0.48 0.13 0.09 0.00 -1.03 0.00 0.00 54.13 53.81 2kh2 s LEU 67 Cb 0.31 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 2kh2 s LEU 67 CO 0.24 -0.37 -0.25 -0.31 0.23 0.00 0.00 176.35 175.89 2kh2 s TYR 68 N 2.28 2.14 -0.13 0.29 1.51 -0.85 -1.02 117.35 121.57 2kh2 s TYR 68 Ca 0.18 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.55 2kh2 s TYR 68 Cb -0.16 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.45 2kh2 s TYR 68 CO 0.12 0.22 1.50 -0.51 -1.11 0.00 0.00 175.55 175.77 2kh2 s LEU 69 N -1.70 4.18 -0.07 -1.29 1.43 -0.16 -1.41 118.68 119.66 2kh2 s LEU 69 Ca 0.11 1.89 0.05 0.00 -1.03 0.00 0.00 54.13 55.15 2kh2 s LEU 69 Cb -0.10 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 2kh2 s LEU 69 CO 0.04 -0.94 -0.21 -0.55 0.23 0.00 0.00 176.35 174.92 2kh2 s SER 70 N 3.02 3.41 -0.27 2.29 0.15 0.67 -4.42 113.70 118.54 2kh2 s SER 70 Ca 0.66 -0.42 -0.06 0.00 0.70 0.00 0.00 55.95 56.82 2kh2 s SER 70 Cb -0.27 -0.98 -0.00 0.00 -1.71 0.00 0.00 66.02 63.06 2kh2 s SER 70 CO 0.24 0.25 0.06 0.00 1.20 0.00 0.00 173.24 174.99 2kh2 s VAL 72 N 1.52 0.00 -0.26 0.00 -7.23 -0.77 -4.66 120.40 109.00 2kh2 s VAL 72 Ca 0.04 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 58.10 2kh2 s VAL 72 Cb -0.16 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 2kh2 s VAL 72 CO 0.02 0.00 0.42 -0.76 -0.31 0.00 0.00 175.10 174.47 2kh2 s LEU 73 N -3.17 4.06 -0.21 1.32 1.43 -1.26 0.15 118.68 120.99 2kh2 s LEU 73 Ca 0.38 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.88 2kh2 s LEU 73 Cb 0.06 -2.51 0.04 0.00 0.03 0.00 0.00 46.19 43.82 2kh2 s LEU 73 CO 0.13 -0.20 -0.11 -0.54 0.23 0.00 0.00 176.35 175.87 2kh2 s LYS 74 N 2.02 2.13 -1.02 1.70 1.02 0.10 -4.76 119.74 120.93 2kh2 s LYS 74 Ca 0.17 -0.95 -0.03 0.00 0.02 0.00 0.00 55.97 55.18 2kh2 s LYS 74 Cb -0.16 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 2kh2 s LYS 74 CO 0.09 -0.45 0.88 -3.47 -0.92 0.00 0.00 175.35 171.49 2kh2 n ASP 75 N 4.63 -4.63 -1.77 2.83 4.64 -1.26 -2.72 116.55 118.27 2kh2 n ASP 75 Ca -0.15 -0.62 -0.18 0.00 -1.38 0.00 0.00 54.79 52.46 2kh2 n ASP 75 Cb 0.46 -4.82 -0.06 0.00 -1.04 0.00 0.00 41.12 35.66 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 -4.87 -3.76 1.67 9.92 -1.26 -4.96 116.55 110.24 2kh2 n ASP 76 Ca -0.14 0.34 -0.13 0.00 -0.53 0.00 0.00 54.79 54.32 2kh2 n ASP 76 Cb 0.63 -4.29 -0.14 0.00 -0.64 0.00 0.00 41.12 36.68 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 -3.94 0.11 0.03 -1.24 2.47 -1.10 -5.12 119.74 110.94 2kh2 s LYS 77 Ca 0.00 0.34 -0.30 0.00 -1.56 0.00 0.00 55.97 54.45 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 -0.14 1.64 -2.14 0.16 0.00 0.00 175.35 174.87 2kh2 s PRO 78 N 0.97 4.20 0.05 4.03 0.02 -1.26 0.02 135.00 143.03 2kh2 s PRO 78 Ca -0.07 2.27 0.03 0.00 0.02 0.00 0.00 61.00 63.24 2kh2 s PRO 78 Cb -0.09 -3.71 -0.03 0.00 0.02 0.00 0.00 34.50 30.69 2kh2 s PRO 78 CO -0.05 -0.75 -0.09 0.99 -0.33 0.00 0.00 177.00 176.77 2kh2 s THR 79 N 3.01 0.64 0.12 0.99 2.01 0.12 -4.79 115.64 117.75 2kh2 s THR 79 Ca 0.73 -1.17 -0.08 0.00 0.31 0.00 0.00 61.69 61.47 2kh2 s THR 79 Cb -0.37 -0.75 -0.06 0.00 0.01 0.00 0.00 72.50 71.32 2kh2 s THR 79 CO 0.31 -0.39 0.41 -0.22 -0.69 0.00 0.00 174.62 174.05 2kh2 s LEU 80 N -1.71 4.30 0.35 4.42 2.96 -1.26 -1.84 118.68 125.90 2kh2 s LEU 80 Ca -0.07 0.75 -0.18 0.00 -0.22 0.00 0.00 54.13 54.41 2kh2 s LEU 80 Cb -0.09 -3.18 0.04 0.00 0.50 0.00 0.00 46.19 43.47 2kh2 s LEU 80 CO 0.00 0.10 0.78 0.00 -1.32 0.00 0.00 176.35 175.91 2kh2 s GLN 81 N -2.25 2.07 -0.22 1.98 1.03 -0.14 -4.84 119.66 117.29 2kh2 s GLN 81 Ca 0.37 -1.28 -0.06 0.00 0.04 0.00 0.00 55.36 54.43 2kh2 s GLN 81 Cb -0.13 0.61 -0.03 0.00 0.03 0.00 0.00 33.01 33.50 2kh2 s GLN 81 CO 0.20 -0.96 0.04 -0.51 -2.54 0.00 0.00 175.29 171.52 2kh2 s LEU 82 N -3.03 3.40 -0.19 2.60 2.01 -1.26 -0.23 118.68 121.98 2kh2 s LEU 82 Ca 0.14 -0.17 -0.04 0.00 0.01 0.00 0.00 54.13 54.08 2kh2 s LEU 82 Cb -0.05 -1.88 -0.02 0.00 0.01 0.00 0.00 46.19 44.25 2kh2 s LEU 82 CO 0.10 0.04 -0.04 -1.61 1.01 0.00 0.00 176.35 175.84 2kh2 s GLU 83 N 1.16 3.51 -0.87 1.70 2.02 -0.50 -4.92 118.70 120.81 2kh2 s GLU 83 Ca 0.04 -0.58 -0.20 0.00 0.02 0.00 0.00 54.97 54.24 2kh2 s GLU 83 Cb -0.14 -2.95 0.11 0.00 0.10 0.00 0.00 34.13 31.24 2kh2 s GLU 83 CO 0.02 0.03 1.12 -1.54 0.02 0.00 0.00 175.26 174.91 2kh2 s SER 84 N 0.91 6.50 0.60 -0.19 1.04 -1.26 -2.00 113.70 119.31 2kh2 s SER 84 Ca -0.00 -1.72 0.03 0.00 0.48 0.00 0.00 55.95 54.73 2kh2 s SER 84 Cb -0.15 -2.42 0.07 0.00 0.10 0.00 0.00 66.02 63.63 2kh2 s SER 84 CO 0.01 -1.20 0.83 0.68 0.98 0.00 0.00 173.24 174.54 2kh2 s VAL 85 N 3.27 2.42 -0.19 5.02 -7.23 -0.67 -5.00 120.40 118.02 2kh2 s VAL 85 Ca 0.31 -0.74 -0.34 0.00 -1.81 0.00 0.00 61.98 59.41 2kh2 s VAL 85 Cb -0.07 -2.69 -0.11 0.00 0.56 0.00 0.00 36.38 34.07 2kh2 s VAL 85 CO -0.05 0.00 2.03 -0.67 -0.31 0.00 0.00 175.10 176.10 2kh2 n ASP 86 N -2.44 3.03 0.11 4.85 4.64 -1.26 -4.80 116.55 120.67 2kh2 n ASP 86 Ca 0.12 0.68 0.11 0.00 -1.38 0.00 0.00 54.79 54.32 2kh2 n ASP 86 Cb 0.60 -1.37 0.46 0.00 -1.04 0.00 0.00 41.12 39.78 2kh2 n ASP 86 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2kh2 n PRO 87 N 7.43 0.17 -0.01 -0.67 -0.04 -1.26 -2.09 135.00 138.53 2kh2 n PRO 87 Ca 0.29 0.37 0.10 0.00 -0.04 0.00 0.00 63.50 64.22 2kh2 n PRO 87 Cb 0.30 -1.81 -0.15 0.00 -0.04 0.00 0.00 33.50 31.80 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 -2.13 0.59 -0.23 0.54 2.85 -1.26 -4.28 118.16 114.23 2kh2 n LYS 88 Ca 0.03 -0.17 0.11 0.00 -1.05 0.00 0.00 58.31 57.23 2kh2 n LYS 88 Cb 0.25 -1.45 0.24 0.00 -0.65 0.00 0.00 35.03 33.41 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 -2.13 3.53 -4.03 -5.58 3.02 -1.11 -4.92 115.26 104.04 2kh2 n ASN 89 Ca -0.03 -1.98 -0.12 0.00 -0.03 0.00 0.00 54.58 52.42 2kh2 n ASN 89 Cb 0.49 -0.31 -0.12 0.00 -0.61 0.00 0.00 39.78 39.23 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 -1.30 0.52 0.36 3.10 1.51 -0.89 -4.62 117.35 116.04 2kh2 s TYR 90 Ca 0.40 -0.47 -0.03 0.00 -1.01 0.00 0.00 57.07 55.96 2kh2 s TYR 90 Cb 0.22 -0.33 0.08 0.00 -0.11 0.00 0.00 41.96 41.83 2kh2 s TYR 90 CO 0.31 -0.11 0.50 -0.35 -1.11 0.00 0.00 175.55 174.79 2kh2 n PRO 91 N 1.65 -0.08 -3.93 -1.71 -0.04 -1.26 -4.79 135.00 124.83 2kh2 n PRO 91 Ca -0.22 -1.05 -0.09 0.00 -0.04 0.00 0.00 63.50 62.09 2kh2 n PRO 91 Cb 0.55 -0.42 -0.05 0.00 -0.04 0.00 0.00 33.50 33.54 2kh2 n PRO 91 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2kh2 s LYS 92 N -3.87 1.48 -0.08 0.54 -2.85 -1.26 -5.08 119.74 108.62 2kh2 s LYS 92 Ca 0.30 -1.15 -0.27 0.00 -1.00 0.00 0.00 55.97 53.85 2kh2 s LYS 92 Cb -0.01 0.48 -0.23 0.00 -2.06 0.00 0.00 37.83 36.00 2kh2 s LYS 92 CO 0.21 -0.61 1.01 -0.22 0.10 0.00 0.00 175.35 175.84 2kh2 h LYS 93 N 2.27 0.01 -4.81 1.78 3.64 -1.97 -3.37 116.57 114.12 2kh2 h LYS 93 Ca -0.27 -0.01 -0.72 0.00 -1.27 0.00 0.00 60.65 58.38 2kh2 h LYS 93 Cb 1.25 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.89 2kh2 h LYS 93 CO 0.37 0.76 1.13 0.21 -2.27 0.00 0.00 179.45 179.65 2kh2 s LYS 94 N -3.21 3.91 0.87 1.90 2.47 -1.26 -1.52 119.74 122.91 2kh2 s LYS 94 Ca -0.17 -2.31 -0.11 0.00 -1.56 0.00 0.00 55.97 51.82 2kh2 s LYS 94 Cb -0.01 -4.99 0.17 0.00 -1.46 0.00 0.00 37.83 31.54 2kh2 s LYS 94 CO 0.69 -1.75 1.20 -1.64 0.16 0.00 0.00 175.35 174.01 2kh2 s MET 95 N 1.87 1.09 0.46 4.03 -1.94 -1.26 -5.04 119.30 118.52 2kh2 s MET 95 Ca 0.39 -0.58 -0.21 0.00 -1.71 0.00 0.00 55.69 53.58 2kh2 s MET 95 Cb -0.04 -2.01 -0.09 0.00 2.01 0.00 0.00 34.83 34.70 2kh2 s MET 95 CO -0.04 -2.03 1.02 -1.21 -0.01 0.00 0.00 175.02 172.76 2kh2 s GLU 96 N -5.62 3.93 0.54 2.03 8.01 -1.26 -4.92 118.70 121.41 2kh2 s GLU 96 Ca 0.70 1.33 0.25 0.00 0.01 0.00 0.00 54.97 57.26 2kh2 s GLU 96 Cb -0.05 -2.17 1.41 0.00 -4.31 0.00 0.00 34.13 29.01 2kh2 s GLU 96 CO 0.50 -0.31 2.01 -0.22 0.01 0.00 0.00 175.26 177.25 2kh2 h LYS 97 N 1.75 0.00 0.00 1.61 1.63 -1.96 0.97 116.57 120.57 2kh2 h LYS 97 Ca -0.49 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 2kh2 h LYS 97 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2kh2 h LYS 97 CO 0.60 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 179.49 2kh2 n ARG 98 N -4.32 0.09 0.00 1.90 1.85 -1.26 -3.04 116.66 111.88 2kh2 n ARG 98 Ca 0.08 0.04 0.05 0.00 -1.00 0.00 0.00 57.85 57.01 2kh2 n ARG 98 Cb 0.54 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.48 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 -1.45 0.00 -3.56 2.89 3.72 0.31 -1.02 117.46 118.35 2kh2 n PHE 99 Ca 0.08 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.11 2kh2 n PHE 99 Cb 0.29 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.75 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 -0.82 5.30 0.08 -4.37 1.01 -1.03 -4.13 120.40 116.44 2kh2 s VAL 100 Ca 0.11 0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.57 2kh2 s VAL 100 Cb 0.08 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2kh2 s VAL 100 CO 0.13 0.33 -0.15 -0.36 0.00 0.00 0.00 175.10 175.05 2kh2 s PHE 101 N 0.98 2.63 -0.50 5.22 0.08 0.54 -2.20 117.98 124.73 2kh2 s PHE 101 Ca 0.13 -0.21 -0.14 0.00 0.12 0.00 0.00 56.93 56.82 2kh2 s PHE 101 Cb -0.14 -1.44 0.11 0.00 -0.57 0.00 0.00 43.02 40.99 2kh2 s PHE 101 CO 0.05 0.35 0.42 -0.80 -0.10 0.00 0.00 175.22 175.14 2kh2 s ASN 102 N -1.84 6.05 -0.71 1.36 0.02 0.26 -1.10 114.94 118.98 2kh2 s ASN 102 Ca 0.18 -1.66 -0.27 0.00 -1.02 0.00 0.00 52.86 50.09 2kh2 s ASN 102 Cb -0.11 -2.15 0.03 0.00 0.02 0.00 0.00 41.25 39.04 2kh2 s ASN 102 CO 0.09 -0.74 1.32 -0.75 0.02 0.00 0.00 177.10 177.03 2kh2 s LYS 103 N 1.56 3.18 0.12 -0.60 2.20 -0.46 -0.70 119.74 125.02 2kh2 s LYS 103 Ca 0.04 -0.12 -0.22 0.00 -0.36 0.00 0.00 55.97 55.31 2kh2 s LYS 103 Cb -0.27 -4.18 -0.07 0.00 -1.51 0.00 0.00 37.83 31.80 2kh2 s LYS 103 CO 0.03 -2.15 0.66 0.42 -0.36 0.00 0.00 175.35 173.95 2kh2 s ILE 104 N 5.93 4.59 -0.57 5.43 1.01 0.11 -0.55 121.20 137.15 2kh2 s ILE 104 Ca 0.38 1.41 0.04 0.00 0.00 0.00 0.00 60.65 62.48 2kh2 s ILE 104 Cb -0.08 -3.99 0.16 0.00 0.01 0.00 0.00 42.46 38.56 2kh2 s ILE 104 CO 0.16 0.53 0.40 -1.61 0.00 0.00 0.00 174.94 174.42 2kh2 s GLU 105 N -1.16 1.81 0.05 2.79 2.02 -0.78 -0.31 118.70 123.11 2kh2 s GLU 105 Ca 0.32 -2.75 -0.34 0.00 0.02 0.00 0.00 54.97 52.22 2kh2 s GLU 105 Cb -0.21 -2.66 -0.19 0.00 0.10 0.00 0.00 34.13 31.17 2kh2 s GLU 105 CO 0.22 -1.29 1.47 -0.84 0.02 0.00 0.00 175.26 174.84 2kh2 h ILE 106 N 4.64 0.12 0.00 -1.63 3.07 -1.83 -3.47 117.51 118.41 2kh2 h ILE 106 Ca 0.15 -0.09 0.00 0.00 1.55 0.00 0.00 64.86 66.47 2kh2 h ILE 106 Cb 0.83 0.13 0.00 0.00 -0.27 0.00 0.00 36.82 37.51 2kh2 h ILE 106 CO 0.58 0.01 0.00 -0.46 -1.05 0.00 0.00 178.15 177.22 2kh2 n ASN 107 N -5.55 0.00 -0.17 2.16 0.23 -1.26 -4.98 115.26 105.69 2kh2 n ASN 107 Ca -0.15 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.00 2kh2 n ASN 107 Cb 0.45 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.08 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 1.29 -4.58 0.53 2.85 -1.26 -4.92 115.26 109.17 2kh2 n ASN 108 Ca 0.00 -1.14 -0.32 0.00 -0.11 0.00 0.00 54.58 53.01 2kh2 n ASN 108 Cb 0.00 0.81 -0.11 0.00 1.24 0.00 0.00 39.78 41.72 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2kh2 s LYS 109 N -2.65 2.49 -0.08 1.20 -0.14 -1.26 -4.85 119.74 114.45 2kh2 s LYS 109 Ca 0.11 -0.76 0.02 0.00 -1.36 0.00 0.00 55.97 53.98 2kh2 s LYS 109 Cb 0.15 -2.46 -0.02 0.00 -1.68 0.00 0.00 37.83 33.82 2kh2 s LYS 109 CO 0.70 0.59 -0.14 -0.48 -0.76 0.00 0.00 175.35 175.26 2kh2 s LEU 110 N -1.44 2.69 0.12 3.17 2.34 0.38 -3.39 118.68 122.55 2kh2 s LEU 110 Ca 0.17 -0.27 0.06 0.00 0.06 0.00 0.00 54.13 54.15 2kh2 s LEU 110 Cb -0.11 -1.57 -0.04 0.00 -0.56 0.00 0.00 46.19 43.91 2kh2 s LEU 110 CO 0.07 0.27 -0.03 -1.61 -1.06 0.00 0.00 176.35 173.99 2kh2 s GLU 111 N -0.26 2.38 -0.38 1.48 2.02 0.58 -0.18 118.70 124.34 2kh2 s GLU 111 Ca 0.01 -0.96 -0.04 0.00 0.02 0.00 0.00 54.97 54.00 2kh2 s GLU 111 Cb -0.13 -2.42 0.09 0.00 0.10 0.00 0.00 34.13 31.76 2kh2 s GLU 111 CO 0.03 0.51 0.16 -0.06 0.02 0.00 0.00 175.26 175.91 2kh2 s PHE 112 N -1.39 3.46 -0.02 1.61 0.08 -1.26 0.10 117.98 120.56 2kh2 s PHE 112 Ca 0.25 -2.11 -0.15 0.00 0.12 0.00 0.00 56.93 55.04 2kh2 s PHE 112 Cb -0.11 -2.86 -0.06 0.00 -0.57 0.00 0.00 43.02 39.43 2kh2 s PHE 112 CO 0.17 -0.90 0.42 -2.00 -0.10 0.00 0.00 175.22 172.81 2kh2 s GLU 113 N 1.22 3.99 0.04 0.44 2.12 0.12 -1.64 118.70 125.00 2kh2 s GLU 113 Ca 0.04 0.42 -0.30 0.00 0.36 0.00 0.00 54.97 55.48 2kh2 s GLU 113 Cb -0.22 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 2kh2 s GLU 113 CO -0.02 0.61 1.13 0.45 -0.54 0.00 0.00 175.26 176.88 2kh2 s SER 114 N -0.81 7.17 0.17 -1.70 0.15 0.37 0.92 113.70 119.97 2kh2 s SER 114 Ca 0.24 1.90 -0.06 0.00 0.70 0.00 0.00 55.95 58.73 2kh2 s SER 114 Cb -0.16 -2.58 0.06 0.00 -1.71 0.00 0.00 66.02 61.63 2kh2 s SER 114 CO 0.13 -0.40 1.49 0.00 1.20 0.00 0.00 173.24 175.65 2kh2 h ALA 115 N 6.81 0.65 -0.17 5.45 0.00 -1.67 -2.51 119.26 127.81 2kh2 h ALA 115 Ca -0.41 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.00 2kh2 h ALA 115 Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2kh2 h ALA 115 CO 0.79 0.68 0.11 0.37 0.00 0.00 0.00 179.25 181.20 2kh2 h GLN 116 N 0.54 0.23 -3.17 0.00 5.75 -1.73 -3.37 115.11 113.36 2kh2 h GLN 116 Ca 0.02 -0.02 -0.62 0.00 -0.15 0.00 0.00 58.65 57.88 2kh2 h GLN 116 Cb 1.07 -0.05 -0.40 0.00 1.07 0.00 0.00 27.48 29.16 2kh2 h GLN 116 CO 0.10 0.18 -0.69 -0.06 -2.65 0.00 0.00 178.83 175.71 2kh2 s PHE 117 N -6.08 2.48 0.78 3.99 0.08 -1.18 -5.07 117.98 112.99 2kh2 s PHE 117 Ca -0.13 -2.73 -0.14 0.00 0.12 0.00 0.00 56.93 54.04 2kh2 s PHE 117 Cb 0.08 -2.28 0.06 0.00 -0.57 0.00 0.00 43.02 40.31 2kh2 s PHE 117 CO 0.69 -0.77 1.16 -2.30 -0.10 0.00 0.00 175.22 173.91 2kh2 n PRO 118 N 3.38 0.33 -0.40 0.24 -0.02 -0.95 -2.56 135.00 135.02 2kh2 n PRO 118 Ca 0.07 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2kh2 n PRO 118 Cb 0.34 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 2kh2 n PRO 118 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2kh2 n ASN 119 N -2.83 0.00 -4.45 2.55 4.05 -1.26 -4.97 115.26 108.35 2kh2 n ASN 119 Ca 0.14 0.00 -0.35 0.00 0.45 0.00 0.00 54.58 54.82 2kh2 n ASN 119 Cb 0.50 -0.17 -0.13 0.00 1.23 0.00 0.00 39.78 41.22 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 2kh2 s TRP 120 N -3.20 3.04 0.22 1.20 0.52 -1.06 -4.54 118.94 115.12 2kh2 s TRP 120 Ca 0.00 -0.45 0.10 0.00 0.02 0.00 0.00 56.10 55.77 2kh2 s TRP 120 Cb 0.00 -2.08 -0.05 0.00 -1.15 0.00 0.00 33.47 30.20 2kh2 s TRP 120 CO 0.00 -0.23 -0.18 0.71 0.02 0.00 0.00 176.95 177.27 2kh2 s TYR 121 N 0.97 2.01 -0.03 -1.98 2.02 0.78 -0.48 117.35 120.64 2kh2 s TYR 121 Ca 0.01 -0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 55.98 2kh2 s TYR 121 Cb -0.14 -0.93 -0.06 0.00 -0.40 0.00 0.00 41.96 40.43 2kh2 s TYR 121 CO 0.02 0.50 1.59 0.42 -1.57 0.00 0.00 175.55 176.50 2kh2 s ILE 122 N -2.45 3.56 0.22 2.71 1.01 -0.65 -0.49 121.20 125.12 2kh2 s ILE 122 Ca 0.23 0.79 0.11 0.00 0.00 0.00 0.00 60.65 61.78 2kh2 s ILE 122 Cb -0.04 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 2kh2 s ILE 122 CO 0.10 -0.05 -0.22 -0.44 0.00 0.00 0.00 174.94 174.33 2kh2 s SER 123 N 2.87 3.41 0.01 3.58 0.01 0.97 -4.37 113.70 120.18 2kh2 s SER 123 Ca 0.71 -0.92 -0.00 0.00 1.31 0.00 0.00 55.95 57.05 2kh2 s SER 123 Cb -0.33 -0.26 -0.01 0.00 0.21 0.00 0.00 66.02 65.63 2kh2 s SER 123 CO 0.28 0.08 -0.01 0.42 0.41 0.00 0.00 173.24 174.43 2kh2 s THR 124 N -1.95 0.06 0.56 1.44 -4.23 -0.64 -2.02 115.64 108.85 2kh2 s THR 124 Ca 0.23 -0.48 -0.12 0.00 -1.18 0.00 0.00 61.69 60.15 2kh2 s THR 124 Cb -0.07 -0.15 -0.05 0.00 1.34 0.00 0.00 72.50 73.57 2kh2 s THR 124 CO 0.11 -0.26 0.97 -0.44 -0.54 0.00 0.00 174.62 174.46 2kh2 s SER 125 N -0.77 6.36 0.39 3.99 0.01 -1.26 -0.14 113.70 122.27 2kh2 s SER 125 Ca -0.08 1.37 0.18 0.00 1.31 0.00 0.00 55.95 58.73 2kh2 s SER 125 Cb -0.05 -2.44 0.81 0.00 0.21 0.00 0.00 66.02 64.54 2kh2 s SER 125 CO -0.00 -0.73 1.81 1.56 0.41 0.00 0.00 173.24 176.29 2kh2 h GLN 126 N 0.18 0.00 -7.07 12.44 1.08 -1.98 -3.45 115.11 116.31 2kh2 h GLN 126 Ca -0.45 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.21 2kh2 h GLN 126 Cb 1.19 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 28.74 2kh2 h GLN 126 CO 0.62 0.35 0.52 0.00 -0.95 0.00 0.00 178.83 179.36 2kh2 s ALA 127 N -3.89 2.67 0.28 3.87 0.00 -1.26 -4.98 121.76 118.45 2kh2 s ALA 127 Ca -0.01 1.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.78 2kh2 s ALA 127 Cb 0.13 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 2kh2 s ALA 127 CO 0.69 -1.19 1.01 -2.00 0.00 0.00 0.00 175.76 174.27 2kh2 s GLU 128 N -3.11 4.66 -0.76 0.00 2.56 -1.26 -3.75 118.70 117.04 2kh2 s GLU 128 Ca 0.74 1.59 -0.01 0.00 0.00 0.00 0.00 54.97 57.30 2kh2 s GLU 128 Cb -0.34 -3.10 0.00 0.00 2.00 0.00 0.00 34.13 32.69 2kh2 s GLU 128 CO 0.38 0.30 0.11 -1.71 -0.56 0.00 0.00 175.26 173.78 2kh2 n ASN 129 N 1.08 -3.37 -4.88 -1.70 5.15 -1.07 -5.03 115.26 105.43 2kh2 n ASN 129 Ca -0.00 -0.06 -0.35 0.00 -0.60 0.00 0.00 54.58 53.57 2kh2 n ASN 129 Cb 0.47 -2.50 -0.05 0.00 -0.53 0.00 0.00 39.78 37.17 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 -4.70 3.62 1.09 1.20 -1.94 -1.15 -4.81 119.30 112.60 2kh2 s MET 130 Ca 0.05 -0.02 -0.18 0.00 -1.71 0.00 0.00 55.69 53.84 2kh2 s MET 130 Cb -0.02 -3.07 0.25 0.00 2.01 0.00 0.00 34.83 33.99 2kh2 s MET 130 CO 0.07 0.64 1.21 -1.25 -0.01 0.00 0.00 175.02 175.67 2kh2 s PRO 131 N -1.75 -0.35 -0.14 2.03 0.04 -1.26 -0.03 135.00 133.55 2kh2 s PRO 131 Ca 0.28 -0.22 -0.09 0.00 0.04 0.00 0.00 61.00 61.01 2kh2 s PRO 131 Cb -0.13 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 2kh2 s PRO 131 CO 0.16 -3.10 0.16 0.08 0.04 0.00 0.00 177.00 174.34 2kh2 s VAL 132 N -3.42 5.45 0.28 -0.36 1.01 -1.20 -4.51 120.40 117.64 2kh2 s VAL 132 Ca 0.72 0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.91 2kh2 s VAL 132 Cb -0.07 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 2kh2 s VAL 132 CO 0.55 0.56 0.37 0.72 0.00 0.00 0.00 175.10 177.29 2kh2 s PHE 133 N -0.58 0.95 -0.23 5.22 -0.12 -0.86 -4.93 117.98 117.44 2kh2 s PHE 133 Ca 0.14 -1.18 -0.10 0.00 -0.05 0.00 0.00 56.93 55.73 2kh2 s PHE 133 Cb -0.12 -0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 42.03 2kh2 s PHE 133 CO 0.03 -0.94 0.15 -1.17 -0.05 0.00 0.00 175.22 173.24 2kh2 s LEU 134 N -3.17 4.13 0.10 -1.99 2.96 -1.26 -0.02 118.68 119.44 2kh2 s LEU 134 Ca 0.31 0.14 0.08 0.00 -0.22 0.00 0.00 54.13 54.45 2kh2 s LEU 134 Cb 0.02 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 2kh2 s LEU 134 CO 0.15 0.10 -0.21 -0.83 -1.32 0.00 0.00 176.35 174.24 2kh2 s GLY 135 N 0.87 1.26 0.00 7.98 0.00 0.36 -4.86 107.32 112.93 2kh2 s GLY 135 Ca 0.08 -1.26 0.12 0.00 0.00 0.00 0.00 44.72 43.66 2kh2 s GLY 135 CO 0.03 -1.26 1.29 0.61 0.00 0.00 0.00 173.10 173.77 2kh2 n GLY 136 N 1.08 2.72 3.11 0.20 0.00 -1.26 -0.15 105.19 110.88 2kh2 n GLY 136 Ca -0.19 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 2kh2 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kh2 s THR 137 N -1.00 3.55 0.14 2.61 2.01 -1.26 -4.86 115.64 116.83 2kh2 s THR 137 Ca 0.27 -2.51 -0.30 0.00 0.31 0.00 0.00 61.69 59.46 2kh2 s THR 137 Cb 0.14 -3.37 -0.06 0.00 0.01 0.00 0.00 72.50 69.22 2kh2 s THR 137 CO 0.18 -0.79 0.97 -0.75 -0.69 0.00 0.00 174.62 173.54 2kh2 s LYS 138 N 0.53 4.72 -0.65 4.92 2.20 -1.26 -3.49 119.74 126.72 2kh2 s LYS 138 Ca 0.13 1.48 0.00 0.00 -0.36 0.00 0.00 55.97 57.21 2kh2 s LYS 138 Cb -0.22 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 2kh2 s LYS 138 CO -0.04 0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.62 2kh2 n GLY 139 N 2.10 0.63 0.00 5.54 0.00 -1.26 -5.01 105.19 107.18 2kh2 n GLY 139 Ca 0.02 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.82 2.03 0.09 -0.02 0.00 -1.23 -5.01 105.19 99.23 2kh2 n GLY 140 Ca -0.07 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 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 0.16 -6.89 1.61 7.50 -1.95 -3.44 115.11 112.09 2kh2 h GLN 141 Ca 0.00 -0.09 -0.48 0.00 0.50 0.00 0.00 58.65 58.58 2kh2 h GLN 141 Cb 0.00 0.01 -0.00 0.00 0.05 0.00 0.00 27.48 27.54 2kh2 h GLN 141 CO 0.00 0.64 0.39 -0.51 -1.50 0.00 0.00 178.83 177.85 2kh2 s ASP 142 N -5.94 7.15 0.03 1.46 1.01 -1.26 -4.60 116.67 114.52 2kh2 s ASP 142 Ca -0.15 1.98 -0.30 0.00 0.71 0.00 0.00 52.55 54.78 2kh2 s ASP 142 Cb 0.03 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 2kh2 s ASP 142 CO 0.71 -0.21 1.17 -0.63 0.21 0.00 0.00 175.17 176.42 2kh2 s ILE 143 N -1.53 4.20 -0.13 0.77 1.01 0.80 -4.61 121.20 121.70 2kh2 s ILE 143 Ca 0.51 1.57 0.08 0.00 0.00 0.00 0.00 60.65 62.81 2kh2 s ILE 143 Cb -0.22 -4.01 -0.11 0.00 0.01 0.00 0.00 42.46 38.13 2kh2 s ILE 143 CO 0.28 0.10 0.23 0.35 0.00 0.00 0.00 174.94 175.90 2kh2 n THR 144 N 4.05 0.00 -3.63 2.92 -2.24 -1.26 -1.62 114.28 112.50 2kh2 n THR 144 Ca 0.09 -0.23 -0.33 0.00 -2.27 0.00 0.00 64.05 61.31 2kh2 n THR 144 Cb 0.47 0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 69.21 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 -2.48 6.57 0.23 3.42 -4.77 -1.26 -4.13 116.67 114.24 2kh2 s ASP 145 Ca -0.01 0.69 0.01 0.00 -3.30 0.00 0.00 52.55 49.94 2kh2 s ASP 145 Cb 0.05 -2.14 -0.04 0.00 -1.09 0.00 0.00 42.92 39.71 2kh2 s ASP 145 CO 0.32 0.13 0.16 -0.36 0.70 0.00 0.00 175.17 176.11 2kh2 s PHE 146 N -1.50 1.32 0.28 2.11 0.08 0.74 -3.83 117.98 117.18 2kh2 s PHE 146 Ca 0.36 -1.42 0.10 0.00 0.12 0.00 0.00 56.93 56.10 2kh2 s PHE 146 Cb -0.13 -0.63 -0.05 0.00 -0.57 0.00 0.00 43.02 41.65 2kh2 s PHE 146 CO 0.20 -0.65 -0.07 0.95 -0.10 0.00 0.00 175.22 175.55 2kh2 s THR 147 N -3.97 3.03 -0.28 0.64 -4.23 0.53 -0.47 115.64 110.89 2kh2 s THR 147 Ca 0.39 -2.08 -0.04 0.00 -1.18 0.00 0.00 61.69 58.78 2kh2 s THR 147 Cb 0.06 -2.66 0.02 0.00 1.34 0.00 0.00 72.50 71.26 2kh2 s THR 147 CO 0.15 -0.36 0.01 -0.32 -0.54 0.00 0.00 174.62 173.56 2kh2 s MET 148 N -3.63 2.90 -0.35 3.99 1.75 -1.26 -3.58 119.30 119.12 2kh2 s MET 148 Ca 0.31 -0.96 0.04 0.00 -1.25 0.00 0.00 55.69 53.83 2kh2 s MET 148 Cb -0.05 -3.18 0.10 0.00 2.84 0.00 0.00 34.83 34.54 2kh2 s MET 148 CO 0.18 -0.45 0.07 -0.65 -0.65 0.00 0.00 175.02 173.53 2kh2 s GLN 149 N 1.39 1.45 0.24 4.11 1.11 -0.89 -4.97 119.66 122.09 2kh2 s GLN 149 Ca 0.01 -1.86 -0.30 0.00 0.01 0.00 0.00 55.36 53.22 2kh2 s GLN 149 Cb -0.17 -3.10 -0.09 0.00 -1.01 0.00 0.00 33.01 28.64 2kh2 s GLN 149 CO -0.01 -0.96 1.11 -0.06 0.01 0.00 0.00 175.29 175.38 2kh2 s PHE 150 N 0.87 3.58 0.55 0.91 0.08 -1.26 -0.44 117.98 122.27 2kh2 s PHE 150 Ca 0.11 1.65 0.05 0.00 0.12 0.00 0.00 56.93 58.86 2kh2 s PHE 150 Cb -0.19 -3.29 0.05 0.00 -0.57 0.00 0.00 43.02 39.02 2kh2 s PHE 150 CO -0.09 -0.61 0.41 1.33 -0.10 0.00 0.00 175.22 176.17 2kh2 n VAL 151 N 1.71 0.00 -1.96 -0.44 0.24 -0.88 -4.95 118.33 112.05 2kh2 n VAL 151 Ca 0.01 -2.18 -0.43 0.00 -2.04 0.00 0.00 64.34 59.70 2kh2 n VAL 151 Cb 0.45 -0.02 -0.03 0.00 -1.47 0.00 0.00 33.84 32.77 2kh2 n VAL 151 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2kh2 s SER 152 N -4.23 5.82 0.00 -1.34 1.04 -1.26 -4.81 113.70 108.91 2kh2 s SER 152 Ca 0.31 1.33 0.00 0.00 0.48 0.00 0.00 55.95 58.07 2kh2 s SER 152 Cb -0.02 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2kh2 s SER 152 CO 0.20 -1.76 0.00 -0.24 0.98 0.00 0.00 173.24 172.42