#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 0.25 -4.53 0.00 0.11 -2.07 -3.37 132.00 122.40 2kh2 h PRO 2 Ca 0.00 -0.06 -0.72 0.00 0.11 0.00 0.00 66.00 65.32 2kh2 h PRO 2 Cb 0.00 -0.03 -0.21 0.00 0.11 0.00 0.00 31.00 30.87 2kh2 h PRO 2 CO 0.00 0.42 0.19 0.54 -0.21 0.00 0.00 178.00 178.93 2kh2 s VAL 3 N -4.66 4.99 0.24 3.15 0.11 -1.26 -5.04 120.40 117.92 2kh2 s VAL 3 Ca -0.05 -1.39 -0.30 0.00 -2.93 0.00 0.00 61.98 57.30 2kh2 s VAL 3 Cb 0.15 -4.52 -0.09 0.00 -1.53 0.00 0.00 36.38 30.40 2kh2 s VAL 3 CO 0.74 -1.14 1.02 -0.13 -3.33 0.00 0.00 175.10 172.26 2kh2 s ARG 4 N 2.13 4.73 -0.10 1.54 0.52 -1.26 -4.93 118.95 121.59 2kh2 s ARG 4 Ca 0.15 1.64 -0.17 0.00 -0.52 0.00 0.00 55.73 56.82 2kh2 s ARG 4 Cb -0.19 -3.25 0.04 0.00 0.52 0.00 0.00 34.95 32.06 2kh2 s ARG 4 CO 0.01 0.33 0.43 -1.12 0.02 0.00 0.00 175.30 174.96 2kh2 s SER 5 N -0.86 -0.39 0.11 0.23 0.01 -1.26 -0.67 113.70 110.87 2kh2 s SER 5 Ca 0.44 0.58 0.03 0.00 1.31 0.00 0.00 55.95 58.31 2kh2 s SER 5 Cb -0.29 0.64 -0.04 0.00 0.21 0.00 0.00 66.02 66.55 2kh2 s SER 5 CO 0.36 -0.32 -0.09 -1.48 0.41 0.00 0.00 173.24 172.11 2kh2 s LEU 6 N -0.53 2.46 -0.15 2.44 0.05 -0.54 -4.96 118.68 117.45 2kh2 s LEU 6 Ca -0.06 -0.91 -0.01 0.00 0.05 0.00 0.00 54.13 53.20 2kh2 s LEU 6 Cb -0.03 -0.25 -0.02 0.00 -2.05 0.00 0.00 46.19 43.84 2kh2 s LEU 6 CO 0.03 -0.33 -0.10 0.21 -0.55 0.00 0.00 176.35 175.61 2kh2 s ASN 7 N -2.76 4.21 0.23 1.48 2.47 -1.26 -0.43 114.94 118.87 2kh2 s ASN 7 Ca 0.09 -0.29 -0.17 0.00 0.42 0.00 0.00 52.86 52.91 2kh2 s ASN 7 Cb 0.00 -1.66 0.02 0.00 -1.45 0.00 0.00 41.25 38.16 2kh2 s ASN 7 CO -0.01 0.14 0.56 0.00 -3.72 0.00 0.00 177.10 174.07 2kh2 s THR 9 N -3.92 3.68 -0.17 0.00 2.01 0.11 -0.60 115.64 116.75 2kh2 s THR 9 Ca 0.13 -1.06 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 2kh2 s THR 9 Cb -0.02 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 2kh2 s THR 9 CO 0.02 0.17 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.30 2kh2 s LEU 10 N -2.09 2.96 -0.05 4.42 1.43 -1.26 -1.93 118.68 122.17 2kh2 s LEU 10 Ca 0.22 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 2kh2 s LEU 10 Cb -0.11 -1.72 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 2kh2 s LEU 10 CO 0.14 0.09 -0.18 -0.13 0.23 0.00 0.00 176.35 176.51 2kh2 s ARG 11 N 0.80 1.91 0.89 1.70 1.81 -1.13 -4.02 118.95 120.92 2kh2 s ARG 11 Ca -0.02 -0.63 -0.15 0.00 -1.72 0.00 0.00 55.73 53.21 2kh2 s ARG 11 Cb -0.15 -1.63 0.21 0.00 -0.45 0.00 0.00 34.95 32.93 2kh2 s ARG 11 CO 0.01 0.23 1.19 -0.40 -0.68 0.00 0.00 175.30 175.66 2kh2 n ASP 12 N 3.22 -0.00 0.04 0.23 5.68 -1.10 0.03 116.55 124.65 2kh2 n ASP 12 Ca -0.19 -1.42 0.04 0.00 -0.50 0.00 0.00 54.79 52.73 2kh2 n ASP 12 Cb 0.53 -0.92 0.20 0.00 -1.14 0.00 0.00 41.12 39.79 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 -3.82 0.16 -0.86 -1.12 3.41 -1.25 -0.72 113.62 109.42 2kh2 n SER 13 Ca 0.15 0.56 0.09 0.00 -0.26 0.00 0.00 58.87 59.41 2kh2 n SER 13 Cb 0.52 -0.59 0.16 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.70 2.15 -1.98 4.33 1.13 -1.26 -4.95 117.38 115.09 2kh2 n GLN 14 Ca 0.00 -1.97 -0.12 0.00 -1.94 0.00 0.00 57.00 52.97 2kh2 n GLN 14 Cb 0.05 -1.38 -0.02 0.00 0.11 0.00 0.00 30.24 29.00 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 1.03 -0.91 -2.58 -1.09 1.13 0.10 -4.95 117.38 110.11 2kh2 n GLN 15 Ca 0.14 0.67 -0.32 0.00 -1.94 0.00 0.00 57.00 55.55 2kh2 n GLN 15 Cb 0.48 -4.79 -0.04 0.00 0.11 0.00 0.00 30.24 26.00 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 -4.16 3.97 0.11 -1.09 1.02 -1.26 -4.16 119.74 114.17 2kh2 s LYS 16 Ca 0.00 0.88 0.10 0.00 0.02 0.00 0.00 55.97 56.98 2kh2 s LYS 16 Cb 0.00 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 2kh2 s LYS 16 CO 0.00 -0.17 -0.27 -1.12 -0.92 0.00 0.00 175.35 172.87 2kh2 s SER 17 N -2.90 3.25 -0.18 2.83 0.01 0.13 -2.71 113.70 114.12 2kh2 s SER 17 Ca 0.58 -0.71 -0.26 0.00 1.31 0.00 0.00 55.95 56.88 2kh2 s SER 17 Cb -0.10 -0.23 -0.01 0.00 0.21 0.00 0.00 66.02 65.89 2kh2 s SER 17 CO 0.28 0.20 0.85 -0.76 0.41 0.00 0.00 173.24 174.22 2kh2 s LEU 18 N -1.84 4.15 0.17 2.44 1.43 -1.26 -1.49 118.68 122.29 2kh2 s LEU 18 Ca 0.13 1.18 0.10 0.00 -1.03 0.00 0.00 54.13 54.51 2kh2 s LEU 18 Cb -0.10 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 2kh2 s LEU 18 CO 0.05 -0.44 -0.21 0.68 0.23 0.00 0.00 176.35 176.65 2kh2 s VAL 19 N 2.35 2.05 -0.56 -1.59 -7.23 0.11 -1.57 120.40 113.97 2kh2 s VAL 19 Ca 0.38 -1.92 -0.28 0.00 -1.81 0.00 0.00 61.98 58.35 2kh2 s VAL 19 Cb -0.16 -1.94 0.03 0.00 0.56 0.00 0.00 36.38 34.87 2kh2 s VAL 19 CO 0.11 -0.19 1.22 -0.04 -0.31 0.00 0.00 175.10 175.89 2kh2 s MET 20 N -2.61 3.52 0.00 4.82 -1.94 -1.26 -0.85 119.30 120.98 2kh2 s MET 20 Ca 0.17 0.33 0.00 0.00 -1.71 0.00 0.00 55.69 54.47 2kh2 s MET 20 Cb -0.07 -4.01 0.00 0.00 2.01 0.00 0.00 34.83 32.75 2kh2 s MET 20 CO 0.08 -1.67 0.16 0.45 -0.01 0.00 0.00 175.02 174.02 2kh2 n SER 21 N 8.50 0.00 -4.35 3.03 2.88 -0.06 -4.94 113.62 118.68 2kh2 n SER 21 Ca 0.10 0.16 -0.18 0.00 -1.33 0.00 0.00 58.87 57.62 2kh2 n SER 21 Cb 0.49 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.98 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 1.55 2.27 0.32 0.46 0.00 -1.17 -4.93 105.19 103.69 2kh2 n GLY 22 Ca 0.00 -2.23 0.15 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.34 1.61 0.13 -2.04 -2.69 132.00 128.68 2kh2 h PRO 23 Ca -0.24 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.62 2kh2 h PRO 23 Cb 1.02 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.81 2kh2 h PRO 23 CO 0.36 0.00 -0.92 0.66 -0.23 0.00 0.00 178.00 177.87 2kh2 n TYR 24 N -4.19 1.13 -3.90 1.56 4.01 -1.26 -5.07 117.16 109.45 2kh2 n TYR 24 Ca 0.02 -1.67 -0.11 0.00 -0.16 0.00 0.00 57.90 55.98 2kh2 n TYR 24 Cb 0.31 -0.24 -0.13 0.00 -0.31 0.00 0.00 39.34 38.97 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 -2.78 0.16 -0.02 -0.72 2.12 -1.01 -4.64 118.70 111.81 2kh2 s GLU 25 Ca 0.36 -0.22 0.05 0.00 0.36 0.00 0.00 54.97 55.53 2kh2 s GLU 25 Cb 0.37 0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.81 2kh2 s GLU 25 CO -0.06 -0.03 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.94 2kh2 s LEU 26 N -0.59 2.01 0.19 2.70 1.43 -1.26 -0.88 118.68 122.28 2kh2 s LEU 26 Ca -0.07 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 52.76 2kh2 s LEU 26 Cb -0.04 -0.97 -0.05 0.00 0.03 0.00 0.00 46.19 45.17 2kh2 s LEU 26 CO -0.00 0.22 -0.14 -0.54 0.23 0.00 0.00 176.35 176.11 2kh2 s LYS 27 N -0.35 1.26 -0.13 1.70 1.02 -0.03 -1.56 119.74 121.65 2kh2 s LYS 27 Ca 0.05 -1.54 0.02 0.00 0.02 0.00 0.00 55.97 54.52 2kh2 s LYS 27 Cb -0.08 -1.03 0.01 0.00 -0.52 0.00 0.00 37.83 36.21 2kh2 s LYS 27 CO -0.00 0.17 -0.19 0.00 -0.92 0.00 0.00 175.35 174.41 2kh2 s ALA 28 N -2.95 2.06 0.08 5.17 0.00 0.13 0.09 121.76 126.34 2kh2 s ALA 28 Ca 0.20 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 51.04 2kh2 s ALA 28 Cb -0.01 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 22.17 2kh2 s ALA 28 CO 0.05 -0.10 0.34 -0.48 0.00 0.00 0.00 175.76 175.57 2kh2 s LEU 29 N 0.96 0.73 0.14 0.00 0.05 -0.55 -3.16 118.68 116.85 2kh2 s LEU 29 Ca -0.05 -0.30 -0.32 0.00 0.05 0.00 0.00 54.13 53.52 2kh2 s LEU 29 Cb -0.15 1.54 -0.11 0.00 -2.05 0.00 0.00 46.19 45.41 2kh2 s LEU 29 CO -0.03 -0.73 1.79 1.41 -0.55 0.00 0.00 176.35 178.23 2kh2 n HIS 30 N 0.14 2.63 -3.80 3.48 8.25 -1.26 0.20 115.22 124.85 2kh2 n HIS 30 Ca -0.17 -0.06 -0.30 0.00 -0.26 0.00 0.00 57.72 56.93 2kh2 n HIS 30 Cb 0.62 -2.70 -0.15 0.00 1.12 0.00 0.00 29.99 28.88 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 2.20 2.92 0.00 2.41 2.96 -1.26 -4.86 118.68 123.04 2kh2 s LEU 31 Ca 0.80 -1.87 0.00 0.00 -0.22 0.00 0.00 54.13 52.84 2kh2 s LEU 31 Cb -0.51 -1.07 0.00 0.00 0.50 0.00 0.00 46.19 45.11 2kh2 s LEU 31 CO 0.36 -0.39 0.00 0.00 -1.32 0.00 0.00 176.35 175.00 2kh2 n GLN 32 N 4.56 2.58 0.00 1.98 6.02 -1.26 -4.77 117.38 126.49 2kh2 n GLN 32 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2kh2 n GLN 32 Cb 0.41 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.67 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kh2 n GLY 33 N 5.00 -0.17 0.98 1.08 0.00 -1.26 -3.65 105.19 107.17 2kh2 n GLY 33 Ca 0.00 -1.04 0.09 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.11 2.24 -0.32 1.61 -0.06 -1.26 -3.90 117.38 115.58 2kh2 n GLN 34 Ca 0.00 -1.92 0.11 0.00 -2.00 0.00 0.00 57.00 53.19 2kh2 n GLN 34 Cb 0.00 -1.44 0.29 0.00 -4.06 0.00 0.00 30.24 25.03 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 1.07 3.47 0.07 1.69 9.92 -1.24 -4.35 116.55 127.18 2kh2 n ASP 35 Ca 0.18 -2.00 0.05 0.00 -0.53 0.00 0.00 54.79 52.50 2kh2 n ASP 35 Cb 0.47 -0.42 0.28 0.00 -0.64 0.00 0.00 41.12 40.80 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 1.40 0.07 0.00 -1.24 1.56 -1.25 -2.54 117.12 115.12 2kh2 n MET 36 Ca 0.22 0.53 0.04 0.00 -0.27 0.00 0.00 57.70 58.22 2kh2 n MET 36 Cb 0.55 -1.70 0.26 0.00 2.15 0.00 0.00 33.22 34.48 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 -1.84 0.55 -0.02 2.12 -0.58 -1.26 -2.31 120.64 117.31 2kh2 n GLU 37 Ca -0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 2kh2 n GLU 37 Cb 0.04 -1.25 0.41 0.00 -0.57 0.00 0.00 31.44 30.07 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 -0.75 1.84 -2.20 3.49 6.02 -1.05 -4.93 117.38 119.79 2kh2 n GLN 38 Ca 0.07 -1.22 -0.33 0.00 -0.01 0.00 0.00 57.00 55.50 2kh2 n GLN 38 Cb 0.03 -1.46 -0.00 0.00 1.02 0.00 0.00 30.24 29.82 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 -1.95 3.44 -0.07 -1.09 -2.07 -0.98 -4.65 119.66 112.30 2kh2 s GLN 39 Ca 0.35 1.30 -0.10 0.00 -1.82 0.00 0.00 55.36 55.08 2kh2 s GLN 39 Cb 0.20 -2.05 -0.05 0.00 -1.09 0.00 0.00 33.01 30.03 2kh2 s GLN 39 CO 0.32 -0.72 0.26 0.08 -1.32 0.00 0.00 175.29 173.90 2kh2 s VAL 40 N -2.25 5.30 -0.16 3.63 1.01 -0.61 -5.02 120.40 122.31 2kh2 s VAL 40 Ca 0.66 0.48 -0.07 0.00 0.00 0.00 0.00 61.98 63.05 2kh2 s VAL 40 Cb -0.17 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2kh2 s VAL 40 CO 0.31 0.60 0.07 -0.69 0.00 0.00 0.00 175.10 175.39 2kh2 s VAL 41 N -1.01 4.87 -0.07 2.92 1.01 -1.26 -4.60 120.40 122.26 2kh2 s VAL 41 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 2kh2 s VAL 41 Cb -0.14 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 2kh2 s VAL 41 CO 0.08 0.50 -0.00 -0.36 0.00 0.00 0.00 175.10 175.32 2kh2 s PHE 42 N -0.01 3.13 -0.25 5.22 0.40 0.23 -1.63 117.98 125.08 2kh2 s PHE 42 Ca 0.06 0.16 -0.11 0.00 -0.60 0.00 0.00 56.93 56.44 2kh2 s PHE 42 Cb -0.12 -1.76 -0.05 0.00 0.51 0.00 0.00 43.02 41.60 2kh2 s PHE 42 CO 0.01 0.46 0.20 -1.12 0.70 0.00 0.00 175.22 175.47 2kh2 s SER 43 N -1.00 6.13 -0.34 1.36 0.01 0.44 -1.49 113.70 118.81 2kh2 s SER 43 Ca 0.14 0.13 -0.10 0.00 1.31 0.00 0.00 55.95 57.43 2kh2 s SER 43 Cb -0.11 -2.13 0.01 0.00 0.21 0.00 0.00 66.02 64.00 2kh2 s SER 43 CO 0.04 0.01 0.17 -0.04 0.41 0.00 0.00 173.24 173.83 2kh2 s MET 44 N 1.33 3.05 -0.07 12.44 -1.94 0.42 -2.54 119.30 131.99 2kh2 s MET 44 Ca 0.09 -0.92 -0.11 0.00 -1.71 0.00 0.00 55.69 53.04 2kh2 s MET 44 Cb -0.14 -3.64 -0.05 0.00 2.01 0.00 0.00 34.83 33.01 2kh2 s MET 44 CO 0.07 -0.57 0.28 -1.12 -0.01 0.00 0.00 175.02 173.67 2kh2 s SER 45 N 1.57 6.58 -0.78 3.03 0.01 -1.12 -1.47 113.70 121.53 2kh2 s SER 45 Ca 0.03 0.70 -0.25 0.00 1.31 0.00 0.00 55.95 57.74 2kh2 s SER 45 Cb -0.18 -2.17 0.05 0.00 0.21 0.00 0.00 66.02 63.93 2kh2 s SER 45 CO 0.06 0.33 1.21 -0.36 0.41 0.00 0.00 173.24 174.89 2kh2 s PHE 46 N -0.85 2.49 0.57 2.43 0.40 0.16 -0.77 117.98 122.40 2kh2 s PHE 46 Ca 0.19 -0.41 -0.15 0.00 -0.60 0.00 0.00 56.93 55.96 2kh2 s PHE 46 Cb -0.14 -4.52 -0.05 0.00 0.51 0.00 0.00 43.02 38.81 2kh2 s PHE 46 CO 0.08 -1.90 1.02 0.14 0.70 0.00 0.00 175.22 175.27 2kh2 s VAL 47 N 4.94 4.25 -1.13 -0.44 -7.23 -1.14 -4.66 120.40 114.99 2kh2 s VAL 47 Ca 0.33 1.01 -0.20 0.00 -1.81 0.00 0.00 61.98 61.31 2kh2 s VAL 47 Cb -0.09 -3.59 0.07 0.00 0.56 0.00 0.00 36.38 33.33 2kh2 s VAL 47 CO 0.08 -0.68 1.53 -1.58 -0.31 0.00 0.00 175.10 174.15 2kh2 s GLN 48 N -4.25 3.76 0.00 4.82 2.00 0.48 -4.83 119.66 121.65 2kh2 s GLN 48 Ca 0.60 -1.55 0.00 0.00 -2.00 0.00 0.00 55.36 52.41 2kh2 s GLN 48 Cb -0.13 -5.38 0.00 0.00 0.80 0.00 0.00 33.01 28.30 2kh2 s GLN 48 CO 0.37 -2.18 0.00 0.41 -0.50 0.00 0.00 175.29 173.39 2kh2 n GLY 49 N 6.13 5.31 3.39 2.59 0.00 -1.26 -4.92 105.19 116.44 2kh2 n GLY 49 Ca 0.38 -0.84 -0.44 0.00 0.00 0.00 0.00 46.02 45.13 2kh2 n GLY 49 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kh2 n GLU 50 N 0.00 3.36 -2.85 1.61 4.07 -1.26 -4.92 120.64 120.65 2kh2 n GLU 50 Ca 0.00 -3.69 -0.44 0.00 -0.06 0.00 0.00 57.16 52.98 2kh2 n GLU 50 Cb 0.00 -3.11 -0.01 0.00 -0.06 0.00 0.00 31.44 28.26 2kh2 n GLU 50 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2kh2 s GLU 51 N 1.88 3.91 0.00 5.31 2.12 -1.26 -4.26 118.70 126.40 2kh2 s GLU 51 Ca 0.44 -2.16 0.00 0.00 0.36 0.00 0.00 54.97 53.61 2kh2 s GLU 51 Cb 0.00 -5.13 0.00 0.00 0.26 0.00 0.00 34.13 29.27 2kh2 s GLU 51 CO 0.01 -1.88 0.00 -1.13 -0.54 0.00 0.00 175.26 171.72 2kh2 n SER 52 N 6.58 0.00 0.02 -1.70 3.41 -1.10 -5.06 113.62 115.76 2kh2 n SER 52 Ca 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 2kh2 n SER 52 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.00 -0.21 0.08 4.04 2.85 -1.26 -4.92 115.26 115.84 2kh2 n ASN 53 Ca 0.00 0.06 -0.22 0.00 -0.11 0.00 0.00 54.58 54.31 2kh2 n ASN 53 Cb 0.00 0.48 -0.15 0.00 1.24 0.00 0.00 39.78 41.36 2kh2 n ASN 53 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 2kh2 h ASP 54 N 0.00 0.61 -3.54 1.20 2.03 -1.92 -3.44 116.42 111.36 2kh2 h ASP 54 Ca 0.00 -0.85 -0.71 0.00 -0.73 0.00 0.00 57.03 54.74 2kh2 h ASP 54 Cb 0.00 -0.20 -0.21 0.00 -0.83 0.00 0.00 39.33 38.09 2kh2 h ASP 54 CO 0.00 1.71 -0.45 -0.54 -1.03 0.00 0.00 179.24 178.93 2kh2 s LYS 55 N -2.59 3.03 -0.30 4.15 1.02 -1.26 0.37 119.74 124.16 2kh2 s LYS 55 Ca -0.13 -0.97 -0.03 0.00 0.02 0.00 0.00 55.97 54.86 2kh2 s LYS 55 Cb 0.05 -3.93 0.04 0.00 -0.52 0.00 0.00 37.83 33.48 2kh2 s LYS 55 CO 0.87 -0.70 0.01 0.42 -0.92 0.00 0.00 175.35 175.03 2kh2 s ILE 56 N 1.67 3.15 -0.17 2.17 -1.09 -0.13 -2.71 121.20 124.10 2kh2 s ILE 56 Ca 0.05 -1.27 -0.29 0.00 -2.23 0.00 0.00 60.65 56.91 2kh2 s ILE 56 Cb -0.19 -2.78 -0.01 0.00 -1.58 0.00 0.00 42.46 37.91 2kh2 s ILE 56 CO 0.10 -0.08 1.23 -2.16 -1.23 0.00 0.00 174.94 172.80 2kh2 s PRO 57 N 1.30 4.24 0.11 2.79 0.04 -1.26 -0.59 135.00 141.63 2kh2 s PRO 57 Ca -0.04 1.62 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 2kh2 s PRO 57 Cb -0.19 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 2kh2 s PRO 57 CO -0.01 -0.68 0.03 0.14 0.04 0.00 0.00 177.00 176.53 2kh2 s VAL 58 N 3.39 0.13 0.10 -0.36 -7.23 0.13 -2.89 120.40 113.67 2kh2 s VAL 58 Ca 0.53 -1.89 0.02 0.00 -1.81 0.00 0.00 61.98 58.83 2kh2 s VAL 58 Cb -0.21 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 2kh2 s VAL 58 CO 0.14 -0.60 0.20 0.00 -0.31 0.00 0.00 175.10 174.52 2kh2 s ALA 59 N -4.02 3.86 -0.28 1.32 0.00 0.05 -0.66 121.76 122.04 2kh2 s ALA 59 Ca 0.20 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.21 2kh2 s ALA 59 Cb 0.08 -1.69 0.08 0.00 0.00 0.00 0.00 23.12 21.59 2kh2 s ALA 59 CO -0.01 0.70 -0.00 -0.51 0.00 0.00 0.00 175.76 175.94 2kh2 s LEU 60 N -2.74 3.18 0.16 0.00 1.43 -1.26 -2.81 118.68 116.63 2kh2 s LEU 60 Ca 0.33 -1.54 0.05 0.00 -1.03 0.00 0.00 54.13 51.95 2kh2 s LEU 60 Cb -0.12 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 2kh2 s LEU 60 CO 0.26 -0.30 -0.11 -0.83 0.23 0.00 0.00 176.35 175.60 2kh2 s GLY 61 N 1.28 1.15 0.27 -3.19 0.00 -1.05 -0.61 107.32 105.16 2kh2 s GLY 61 Ca 0.01 -1.53 -0.29 0.00 0.00 0.00 0.00 44.72 42.91 2kh2 s GLY 61 CO -0.10 -1.63 1.02 1.08 0.00 0.00 0.00 173.10 173.47 2kh2 s LEU 62 N -3.20 4.57 -0.25 0.66 1.02 -0.24 -0.42 118.68 120.82 2kh2 s LEU 62 Ca 0.18 2.10 -0.39 0.00 0.02 0.00 0.00 54.13 56.04 2kh2 s LEU 62 Cb 0.02 -3.66 -0.15 0.00 0.02 0.00 0.00 46.19 42.42 2kh2 s LEU 62 CO 0.02 -0.02 1.79 1.17 0.02 0.00 0.00 176.35 179.33 2kh2 n LYS 63 N 1.24 1.35 -3.96 1.70 4.81 -0.64 -1.63 118.16 121.04 2kh2 n LYS 63 Ca -0.01 0.49 -0.32 0.00 -0.87 0.00 0.00 58.31 57.60 2kh2 n LYS 63 Cb 0.46 -2.22 -0.01 0.00 0.02 0.00 0.00 35.03 33.28 2kh2 n LYS 63 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2kh2 n GLU 64 N 5.73 -3.57 -4.38 1.64 0.28 -1.26 -4.96 120.64 114.12 2kh2 n GLU 64 Ca 0.26 0.42 -0.19 0.00 -0.16 0.00 0.00 57.16 57.50 2kh2 n GLU 64 Cb 0.16 -5.18 -0.10 0.00 1.43 0.00 0.00 31.44 27.75 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2kh2 s LYS 65 N -6.65 1.49 0.00 3.44 1.02 -0.64 -5.04 119.74 113.36 2kh2 s LYS 65 Ca 0.65 -1.80 0.22 0.00 0.02 0.00 0.00 55.97 55.06 2kh2 s LYS 65 Cb -0.35 -0.62 0.61 0.00 -0.52 0.00 0.00 37.83 36.95 2kh2 s LYS 65 CO 0.80 -0.19 1.51 0.27 -0.92 0.00 0.00 175.35 176.82 2kh2 n ASN 66 N -0.54 3.74 -4.59 2.83 0.23 -1.26 -4.66 115.26 111.01 2kh2 n ASN 66 Ca -0.02 -2.00 -0.40 0.00 -0.53 0.00 0.00 54.58 51.62 2kh2 n ASN 66 Cb 0.66 -0.45 -0.08 0.00 -2.08 0.00 0.00 39.78 37.83 2kh2 n ASN 66 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2kh2 s LEU 67 N -1.05 4.19 0.07 -4.53 1.43 -1.26 -1.62 118.68 115.91 2kh2 s LEU 67 Ca 0.46 0.22 0.09 0.00 -1.03 0.00 0.00 54.13 53.87 2kh2 s LEU 67 Cb 0.24 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 2kh2 s LEU 67 CO 0.32 -0.37 -0.24 -0.31 0.23 0.00 0.00 176.35 175.98 2kh2 s TYR 68 N 2.32 2.13 -0.08 0.29 1.51 -0.87 -1.08 117.35 121.57 2kh2 s TYR 68 Ca 0.19 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.56 2kh2 s TYR 68 Cb -0.16 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.41 2kh2 s TYR 68 CO 0.11 0.16 1.45 -0.51 -1.11 0.00 0.00 175.55 175.66 2kh2 s LEU 69 N -1.43 4.27 -0.02 -1.29 1.43 0.22 -1.04 118.68 120.82 2kh2 s LEU 69 Ca 0.11 2.01 0.07 0.00 -1.03 0.00 0.00 54.13 55.28 2kh2 s LEU 69 Cb -0.10 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 2kh2 s LEU 69 CO 0.03 -0.81 -0.23 -0.55 0.23 0.00 0.00 176.35 175.02 2kh2 s SER 70 N 2.48 2.68 -0.24 2.29 0.15 0.58 -4.56 113.70 117.08 2kh2 s SER 70 Ca 0.64 -0.42 -0.05 0.00 0.70 0.00 0.00 55.95 56.82 2kh2 s SER 70 Cb -0.29 -0.35 -0.01 0.00 -1.71 0.00 0.00 66.02 63.67 2kh2 s SER 70 CO 0.23 0.27 0.01 0.00 1.20 0.00 0.00 173.24 174.95 2kh2 s VAL 72 N 1.50 0.13 -0.28 0.00 -7.23 -0.68 -4.71 120.40 109.13 2kh2 s VAL 72 Ca 0.05 -1.98 -0.16 0.00 -1.81 0.00 0.00 61.98 58.07 2kh2 s VAL 72 Cb -0.15 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 2kh2 s VAL 72 CO -0.01 -0.10 0.44 -0.76 -0.31 0.00 0.00 175.10 174.37 2kh2 s LEU 73 N -3.16 4.10 -0.19 1.32 1.43 -1.26 0.35 118.68 121.27 2kh2 s LEU 73 Ca 0.36 0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 2kh2 s LEU 73 Cb 0.07 -2.53 0.04 0.00 0.03 0.00 0.00 46.19 43.80 2kh2 s LEU 73 CO 0.10 -0.26 -0.11 -0.54 0.23 0.00 0.00 176.35 175.77 2kh2 s LYS 74 N 2.20 2.10 -1.15 1.70 1.02 0.67 -4.75 119.74 121.52 2kh2 s LYS 74 Ca 0.18 -0.78 -0.02 0.00 0.02 0.00 0.00 55.97 55.36 2kh2 s LYS 74 Cb -0.16 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 2kh2 s LYS 74 CO 0.10 -0.38 0.96 -3.47 -0.92 0.00 0.00 175.35 171.64 2kh2 n ASP 75 N 4.70 -3.76 -1.95 2.83 -0.08 -1.26 -2.63 116.55 114.40 2kh2 n ASP 75 Ca -0.15 -0.66 -0.20 0.00 -1.51 0.00 0.00 54.79 52.27 2kh2 n ASP 75 Cb 0.47 -5.13 -0.05 0.00 2.34 0.00 0.00 41.12 38.75 2kh2 n ASP 75 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kh2 n ASP 76 N -3.16 -5.38 -3.74 1.67 10.43 -1.26 -4.97 116.55 110.14 2kh2 n ASP 76 Ca -0.21 0.27 -0.12 0.00 2.57 0.00 0.00 54.79 57.30 2kh2 n ASP 76 Cb 0.65 -4.64 -0.13 0.00 1.84 0.00 0.00 41.12 38.84 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 2kh2 s LYS 77 N -4.29 0.24 0.05 -1.24 2.47 -1.08 -5.13 119.74 110.76 2kh2 s LYS 77 Ca 0.00 0.49 -0.30 0.00 -1.56 0.00 0.00 55.97 54.60 2kh2 s LYS 77 Cb 0.00 -0.04 -0.08 0.00 -1.46 0.00 0.00 37.83 36.25 2kh2 s LYS 77 CO 0.00 -0.13 1.70 -2.14 0.16 0.00 0.00 175.35 174.95 2kh2 s PRO 78 N 0.96 4.18 0.10 4.03 0.02 -1.26 -0.24 135.00 142.79 2kh2 s PRO 78 Ca -0.07 2.36 0.05 0.00 0.02 0.00 0.00 61.00 63.36 2kh2 s PRO 78 Cb -0.08 -3.74 -0.04 0.00 0.02 0.00 0.00 34.50 30.67 2kh2 s PRO 78 CO -0.06 -0.79 -0.13 0.99 -0.33 0.00 0.00 177.00 176.68 2kh2 s THR 79 N 3.12 1.18 0.00 0.99 2.01 0.16 -4.79 115.64 118.31 2kh2 s THR 79 Ca 0.76 -1.60 -0.08 0.00 0.31 0.00 0.00 61.69 61.08 2kh2 s THR 79 Cb -0.39 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 70.69 2kh2 s THR 79 CO 0.33 -0.41 0.29 -0.22 -0.69 0.00 0.00 174.62 173.92 2kh2 s LEU 80 N -2.28 4.38 0.30 4.42 2.96 -1.26 -1.69 118.68 125.51 2kh2 s LEU 80 Ca 0.05 0.62 -0.13 0.00 -0.22 0.00 0.00 54.13 54.45 2kh2 s LEU 80 Cb -0.06 -2.65 0.02 0.00 0.50 0.00 0.00 46.19 44.00 2kh2 s LEU 80 CO 0.02 0.26 0.60 0.00 -1.32 0.00 0.00 176.35 175.92 2kh2 s GLN 81 N -1.64 1.83 -0.28 1.98 -2.07 -0.05 -4.89 119.66 114.53 2kh2 s GLN 81 Ca 0.27 -1.33 -0.07 0.00 -1.82 0.00 0.00 55.36 52.40 2kh2 s GLN 81 Cb -0.14 0.53 -0.01 0.00 -1.09 0.00 0.00 33.01 32.31 2kh2 s GLN 81 CO 0.15 -0.80 0.08 -0.51 -1.32 0.00 0.00 175.29 172.89 2kh2 s LEU 82 N -3.05 3.69 -0.21 2.60 2.01 -1.26 -0.31 118.68 122.16 2kh2 s LEU 82 Ca 0.20 -0.47 -0.08 0.00 0.01 0.00 0.00 54.13 53.79 2kh2 s LEU 82 Cb -0.03 -1.91 -0.04 0.00 0.01 0.00 0.00 46.19 44.22 2kh2 s LEU 82 CO 0.11 -0.12 0.07 -1.61 1.01 0.00 0.00 176.35 175.81 2kh2 s GLU 83 N 1.56 3.90 -0.60 1.70 2.02 -0.20 -4.88 118.70 122.20 2kh2 s GLU 83 Ca 0.05 -0.37 -0.25 0.00 0.02 0.00 0.00 54.97 54.41 2kh2 s GLU 83 Cb -0.16 -3.28 0.04 0.00 0.10 0.00 0.00 34.13 30.83 2kh2 s GLU 83 CO 0.03 0.13 1.05 -1.12 0.02 0.00 0.00 175.26 175.38 2kh2 s SER 84 N 0.76 6.31 0.31 -0.19 0.01 -1.26 -2.06 113.70 117.59 2kh2 s SER 84 Ca 0.04 -0.36 0.07 0.00 1.31 0.00 0.00 55.95 57.01 2kh2 s SER 84 Cb -0.13 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 2kh2 s SER 84 CO 0.02 -1.41 0.31 0.68 0.41 0.00 0.00 173.24 173.25 2kh2 s VAL 85 N 4.46 3.93 -0.15 3.43 -7.23 -0.64 -5.03 120.40 119.17 2kh2 s VAL 85 Ca 0.33 -1.29 -0.31 0.00 -1.81 0.00 0.00 61.98 58.90 2kh2 s VAL 85 Cb -0.11 -3.31 -0.09 0.00 0.56 0.00 0.00 36.38 33.43 2kh2 s VAL 85 CO 0.19 -0.22 2.08 -0.67 -0.31 0.00 0.00 175.10 176.17 2kh2 n ASP 86 N -1.38 3.34 0.30 4.85 4.64 -1.26 -4.80 116.55 122.24 2kh2 n ASP 86 Ca -0.03 0.58 0.19 0.00 -1.38 0.00 0.00 54.79 54.15 2kh2 n ASP 86 Cb 0.59 -1.46 0.93 0.00 -1.04 0.00 0.00 41.12 40.14 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 12.24 0.00 0.00 -0.67 0.13 -1.93 -1.30 132.00 140.47 2kh2 h PRO 87 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2kh2 h PRO 87 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kh2 h PRO 87 CO 0.96 0.01 -1.04 0.36 -0.23 0.00 0.00 178.00 178.06 2kh2 n LYS 88 N -3.13 0.52 -0.08 0.86 2.85 -1.26 -3.96 118.16 113.96 2kh2 n LYS 88 Ca -0.01 0.07 0.08 0.00 -1.05 0.00 0.00 58.31 57.40 2kh2 n LYS 88 Cb 0.19 -1.75 0.11 0.00 -0.65 0.00 0.00 35.03 32.93 2kh2 n LYS 88 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2kh2 n ASN 89 N -2.47 2.60 -4.12 -5.58 2.85 -0.87 -4.97 115.26 102.70 2kh2 n ASN 89 Ca 0.00 -1.76 -0.17 0.00 -0.11 0.00 0.00 54.58 52.55 2kh2 n ASN 89 Cb 0.52 -0.10 -0.12 0.00 1.24 0.00 0.00 39.78 41.32 2kh2 n ASN 89 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 2kh2 s TYR 90 N -1.20 1.04 0.42 1.20 1.51 -0.55 -4.54 117.35 115.23 2kh2 s TYR 90 Ca 0.22 -0.42 -0.03 0.00 -1.01 0.00 0.00 57.07 55.83 2kh2 s TYR 90 Cb 0.14 -0.60 0.09 0.00 -0.11 0.00 0.00 41.96 41.48 2kh2 s TYR 90 CO 0.20 0.01 0.57 -0.35 -1.11 0.00 0.00 175.55 174.88 2kh2 n PRO 91 N 1.57 -0.11 -3.90 -1.71 -0.04 -1.26 -4.77 135.00 124.78 2kh2 n PRO 91 Ca -0.20 -1.25 -0.09 0.00 -0.04 0.00 0.00 63.50 61.92 2kh2 n PRO 91 Cb 0.55 -0.48 -0.08 0.00 -0.04 0.00 0.00 33.50 33.45 2kh2 n PRO 91 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2kh2 s LYS 92 N -4.05 0.85 0.24 0.54 -2.85 -1.26 -5.06 119.74 108.15 2kh2 s LYS 92 Ca 0.36 -1.02 -0.01 0.00 -1.00 0.00 0.00 55.97 54.29 2kh2 s LYS 92 Cb -0.02 0.33 0.28 0.00 -2.06 0.00 0.00 37.83 36.36 2kh2 s LYS 92 CO 0.24 -0.26 1.67 -0.22 0.10 0.00 0.00 175.35 176.87 2kh2 h LYS 93 N 2.78 0.65 -3.48 1.78 3.64 -1.99 -3.34 116.57 116.61 2kh2 h LYS 93 Ca -0.34 -0.25 -0.71 0.00 -1.27 0.00 0.00 60.65 58.08 2kh2 h LYS 93 Cb 1.20 -0.03 -0.34 0.00 -0.41 0.00 0.00 32.23 32.64 2kh2 h LYS 93 CO 0.57 0.83 -0.19 0.21 -2.27 0.00 0.00 179.45 178.60 2kh2 s LYS 94 N -4.55 3.01 0.92 1.90 2.47 -1.26 -0.38 119.74 121.85 2kh2 s LYS 94 Ca -0.08 -2.88 -0.14 0.00 -1.56 0.00 0.00 55.97 51.31 2kh2 s LYS 94 Cb 0.13 -3.91 0.16 0.00 -1.46 0.00 0.00 37.83 32.75 2kh2 s LYS 94 CO 0.82 -1.23 1.24 -1.64 0.16 0.00 0.00 175.35 174.70 2kh2 s MET 95 N -0.65 1.03 0.61 4.03 -1.94 -1.26 -5.03 119.30 116.10 2kh2 s MET 95 Ca 0.22 -0.13 -0.17 0.00 -1.71 0.00 0.00 55.69 53.90 2kh2 s MET 95 Cb -0.13 -1.86 -0.02 0.00 2.01 0.00 0.00 34.83 34.82 2kh2 s MET 95 CO -0.08 -2.20 1.14 -1.21 -0.01 0.00 0.00 175.02 172.66 2kh2 s GLU 96 N -5.68 2.97 0.57 2.03 8.01 -1.26 -4.88 118.70 120.47 2kh2 s GLU 96 Ca 0.68 1.56 0.27 0.00 0.01 0.00 0.00 54.97 57.49 2kh2 s GLU 96 Cb -0.08 -1.96 1.60 0.00 -4.31 0.00 0.00 34.13 29.38 2kh2 s GLU 96 CO 0.52 -1.14 2.10 -0.22 0.01 0.00 0.00 175.26 176.53 2kh2 h LYS 97 N 0.54 0.00 -0.00 1.61 1.63 -1.95 0.94 116.57 119.34 2kh2 h LYS 97 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2kh2 h LYS 97 Cb 1.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2kh2 h LYS 97 CO 0.55 0.00 -0.11 2.89 -3.45 0.00 0.00 179.45 179.33 2kh2 n ARG 98 N -3.95 0.44 -0.00 1.90 1.85 -1.26 -2.98 116.66 112.65 2kh2 n ARG 98 Ca 0.02 -0.12 0.05 0.00 -1.00 0.00 0.00 57.85 56.80 2kh2 n ARG 98 Cb 0.32 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.27 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 -1.18 0.00 -3.64 2.89 3.72 0.30 -1.35 117.46 118.20 2kh2 n PHE 99 Ca 0.12 -0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.15 2kh2 n PHE 99 Cb 0.29 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.73 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 -0.87 5.35 0.08 -4.37 1.01 -1.05 -4.19 120.40 116.36 2kh2 s VAL 100 Ca 0.12 0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.35 2kh2 s VAL 100 Cb 0.09 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2kh2 s VAL 100 CO 0.13 0.32 -0.09 -0.36 0.00 0.00 0.00 175.10 175.10 2kh2 s PHE 101 N 1.21 2.77 -0.59 5.22 0.40 0.17 -1.74 117.98 125.41 2kh2 s PHE 101 Ca 0.08 -0.14 -0.13 0.00 -0.60 0.00 0.00 56.93 56.14 2kh2 s PHE 101 Cb -0.14 -1.48 0.15 0.00 0.51 0.00 0.00 43.02 42.06 2kh2 s PHE 101 CO 0.06 0.40 0.51 -0.80 0.70 0.00 0.00 175.22 176.09 2kh2 s ASN 102 N -1.99 6.10 -0.59 1.36 0.02 0.26 -0.69 114.94 119.41 2kh2 s ASN 102 Ca 0.20 -2.11 -0.27 0.00 -1.02 0.00 0.00 52.86 49.66 2kh2 s ASN 102 Cb -0.11 -2.12 0.03 0.00 0.02 0.00 0.00 41.25 39.07 2kh2 s ASN 102 CO 0.12 -0.71 1.16 -0.75 0.02 0.00 0.00 177.10 176.94 2kh2 s LYS 103 N 1.09 3.45 0.13 -0.60 2.20 0.24 -1.49 119.74 124.76 2kh2 s LYS 103 Ca 0.08 0.10 -0.24 0.00 -0.36 0.00 0.00 55.97 55.55 2kh2 s LYS 103 Cb -0.24 -4.04 -0.07 0.00 -1.51 0.00 0.00 37.83 31.97 2kh2 s LYS 103 CO -0.01 -1.71 0.73 0.42 -0.36 0.00 0.00 175.35 174.43 2kh2 s ILE 104 N 4.88 4.48 -0.82 5.43 1.01 0.13 -0.95 121.20 135.36 2kh2 s ILE 104 Ca 0.40 1.60 0.02 0.00 0.00 0.00 0.00 60.65 62.66 2kh2 s ILE 104 Cb -0.08 -4.09 0.32 0.00 0.01 0.00 0.00 42.46 38.62 2kh2 s ILE 104 CO 0.23 0.51 1.36 -0.62 0.00 0.00 0.00 174.94 176.42 2kh2 n GLU 105 N 1.77 4.25 0.21 2.79 -0.58 0.16 -1.76 120.64 127.48 2kh2 n GLU 105 Ca -0.06 -4.75 -0.12 0.00 -0.42 0.00 0.00 57.16 51.81 2kh2 n GLU 105 Cb 0.49 -2.36 -0.06 0.00 -0.57 0.00 0.00 31.44 28.94 2kh2 n GLU 105 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2kh2 h ILE 106 N 2.70 0.00 0.00 -3.67 3.07 -1.84 -3.46 117.51 114.31 2kh2 h ILE 106 Ca 0.32 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.73 2kh2 h ILE 106 Cb 0.44 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 36.99 2kh2 h ILE 106 CO 1.02 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.66 2kh2 n ASN 107 N -4.37 0.00 0.04 2.16 0.23 -1.26 -4.99 115.26 107.07 2kh2 n ASN 107 Ca -0.08 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.08 2kh2 n ASN 107 Cb 0.31 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 0.59 -0.93 0.00 0.00 177.26 176.92 2kh2 n ASN 108 N 0.00 0.63 -4.60 0.53 5.03 -1.26 -4.87 115.26 110.72 2kh2 n ASN 108 Ca 0.00 -0.12 -0.29 0.00 0.87 0.00 0.00 54.58 55.05 2kh2 n ASN 108 Cb 0.00 0.60 -0.09 0.00 -1.02 0.00 0.00 39.78 39.27 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2kh2 s LYS 109 N -3.18 2.21 0.06 3.52 -0.14 -1.26 -4.90 119.74 116.05 2kh2 s LYS 109 Ca 0.05 -1.06 0.06 0.00 -1.36 0.00 0.00 55.97 53.66 2kh2 s LYS 109 Cb 0.14 -2.32 -0.04 0.00 -1.68 0.00 0.00 37.83 33.94 2kh2 s LYS 109 CO 0.78 0.49 -0.12 -0.51 -0.76 0.00 0.00 175.35 175.23 2kh2 s LEU 110 N -2.47 2.94 -0.01 3.17 1.43 0.90 -3.95 118.68 120.70 2kh2 s LEU 110 Ca 0.24 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 2kh2 s LEU 110 Cb -0.10 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 2kh2 s LEU 110 CO 0.15 0.23 -0.03 -1.61 0.23 0.00 0.00 176.35 175.32 2kh2 s GLU 111 N -1.79 2.70 -0.41 1.70 2.02 -0.72 -0.71 118.70 121.50 2kh2 s GLU 111 Ca 0.18 -0.64 0.03 0.00 0.02 0.00 0.00 54.97 54.56 2kh2 s GLU 111 Cb -0.11 -2.60 0.11 0.00 0.10 0.00 0.00 34.13 31.63 2kh2 s GLU 111 CO 0.10 0.62 0.14 -0.06 0.02 0.00 0.00 175.26 176.08 2kh2 s PHE 112 N -1.03 3.20 0.21 1.61 0.40 -1.26 0.18 117.98 121.28 2kh2 s PHE 112 Ca 0.18 -2.88 -0.02 0.00 -0.60 0.00 0.00 56.93 53.61 2kh2 s PHE 112 Cb -0.11 -2.67 -0.05 0.00 0.51 0.00 0.00 43.02 40.70 2kh2 s PHE 112 CO 0.08 -0.86 0.41 -2.00 0.70 0.00 0.00 175.22 173.56 2kh2 s GLU 113 N 0.53 3.55 -0.02 0.44 2.12 -0.55 -1.66 118.70 123.10 2kh2 s GLU 113 Ca 0.13 -0.26 -0.21 0.00 0.36 0.00 0.00 54.97 54.99 2kh2 s GLU 113 Cb -0.22 -2.81 -0.05 0.00 0.26 0.00 0.00 34.13 31.31 2kh2 s GLU 113 CO -0.06 0.38 0.61 0.45 -0.54 0.00 0.00 175.26 176.10 2kh2 s SER 114 N -3.07 6.97 0.23 -1.70 0.15 -0.25 0.90 113.70 116.94 2kh2 s SER 114 Ca 0.39 1.15 0.02 0.00 0.70 0.00 0.00 55.95 58.21 2kh2 s SER 114 Cb -0.11 -2.37 0.24 0.00 -1.71 0.00 0.00 66.02 62.06 2kh2 s SER 114 CO 0.29 0.05 1.57 0.00 1.20 0.00 0.00 173.24 176.35 2kh2 h ALA 115 N 5.92 0.84 -0.30 5.45 0.00 -1.55 -3.13 119.26 126.49 2kh2 h ALA 115 Ca -0.44 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 53.89 2kh2 h ALA 115 Cb 1.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2kh2 h ALA 115 CO 0.71 0.68 -0.14 0.37 0.00 0.00 0.00 179.25 180.87 2kh2 h GLN 116 N 0.30 0.62 -4.44 0.00 5.75 -1.74 -3.40 115.11 112.21 2kh2 h GLN 116 Ca 0.01 -0.27 -0.64 0.00 -0.15 0.00 0.00 58.65 57.60 2kh2 h GLN 116 Cb 1.02 -0.02 -0.40 0.00 1.07 0.00 0.00 27.48 29.16 2kh2 h GLN 116 CO 0.09 0.85 -0.73 -0.06 -2.65 0.00 0.00 178.83 176.33 2kh2 s PHE 117 N -4.61 3.25 0.55 3.99 0.08 -1.19 -5.08 117.98 114.98 2kh2 s PHE 117 Ca -0.13 -2.66 -0.20 0.00 0.12 0.00 0.00 56.93 54.06 2kh2 s PHE 117 Cb 0.08 -2.58 -0.05 0.00 -0.57 0.00 0.00 43.02 39.90 2kh2 s PHE 117 CO 0.80 -0.93 1.19 -2.14 -0.10 0.00 0.00 175.22 174.04 2kh2 s PRO 118 N 1.08 3.23 0.00 0.24 0.02 -1.22 -2.84 135.00 135.51 2kh2 s PRO 118 Ca 0.09 1.79 0.00 0.00 0.02 0.00 0.00 61.00 62.91 2kh2 s PRO 118 Cb -0.19 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.27 2kh2 s PRO 118 CO -0.12 -0.99 0.00 0.09 -0.33 0.00 0.00 177.00 175.66 2kh2 n ASN 119 N -1.27 0.00 -4.43 2.53 5.03 -1.26 -4.99 115.26 110.88 2kh2 n ASN 119 Ca 0.12 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.20 2kh2 n ASN 119 Cb 0.49 -0.30 -0.13 0.00 -1.02 0.00 0.00 39.78 38.83 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 -3.42 3.09 0.25 3.10 0.52 -1.13 -4.40 118.94 116.95 2kh2 s TRP 120 Ca 0.00 -0.51 0.11 0.00 0.02 0.00 0.00 56.10 55.72 2kh2 s TRP 120 Cb 0.00 -2.24 -0.05 0.00 -1.15 0.00 0.00 33.47 30.03 2kh2 s TRP 120 CO 0.00 -0.40 -0.19 0.71 0.02 0.00 0.00 176.95 177.09 2kh2 s TYR 121 N 1.60 2.15 -0.04 -1.98 1.51 0.55 -1.08 117.35 120.05 2kh2 s TYR 121 Ca 0.06 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.43 2kh2 s TYR 121 Cb -0.15 -0.96 -0.06 0.00 -0.11 0.00 0.00 41.96 40.68 2kh2 s TYR 121 CO 0.03 0.60 1.64 0.42 -1.11 0.00 0.00 175.55 177.14 2kh2 s ILE 122 N -2.50 3.54 0.15 2.71 1.01 -0.67 -0.10 121.20 125.34 2kh2 s ILE 122 Ca 0.27 0.70 0.09 0.00 0.00 0.00 0.00 60.65 61.71 2kh2 s ILE 122 Cb -0.04 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2kh2 s ILE 122 CO 0.12 -0.05 -0.21 -0.44 0.00 0.00 0.00 174.94 174.37 2kh2 s SER 123 N 3.17 2.80 -0.13 3.58 0.01 0.51 -4.45 113.70 119.19 2kh2 s SER 123 Ca 0.73 -0.80 -0.06 0.00 1.31 0.00 0.00 55.95 57.12 2kh2 s SER 123 Cb -0.34 -0.17 0.05 0.00 0.21 0.00 0.00 66.02 65.77 2kh2 s SER 123 CO 0.30 0.03 0.30 0.42 0.41 0.00 0.00 173.24 174.70 2kh2 s THR 124 N -1.65 -0.05 0.97 1.44 -4.23 -0.60 -2.34 115.64 109.18 2kh2 s THR 124 Ca 0.13 0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.67 2kh2 s THR 124 Cb -0.08 -0.45 0.18 0.00 1.34 0.00 0.00 72.50 73.49 2kh2 s THR 124 CO 0.06 0.06 1.10 -0.44 -0.54 0.00 0.00 174.62 174.86 2kh2 s SER 125 N 1.34 2.53 0.30 3.99 0.01 -1.26 -0.39 113.70 120.23 2kh2 s SER 125 Ca -0.09 1.88 0.13 0.00 1.31 0.00 0.00 55.95 59.18 2kh2 s SER 125 Cb -0.10 -2.44 0.43 0.00 0.21 0.00 0.00 66.02 64.12 2kh2 s SER 125 CO -0.10 -3.29 1.63 1.56 0.41 0.00 0.00 173.24 173.45 2kh2 h GLN 126 N -2.00 0.00 -7.03 12.44 1.08 -1.96 -3.44 115.11 114.19 2kh2 h GLN 126 Ca -0.49 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.14 2kh2 h GLN 126 Cb 1.29 0.00 0.16 0.00 -0.05 0.00 0.00 27.48 28.88 2kh2 h GLN 126 CO 0.46 0.56 0.39 0.00 -0.95 0.00 0.00 178.83 179.29 2kh2 n ALA 127 N -2.38 0.83 -1.87 3.87 0.00 -1.26 -4.98 120.51 114.71 2kh2 n ALA 127 Ca -0.01 -0.01 -0.35 0.00 0.00 0.00 0.00 53.44 53.08 2kh2 n ALA 127 Cb 0.60 -2.26 -0.07 0.00 0.00 0.00 0.00 19.45 17.72 2kh2 n ALA 127 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kh2 s GLU 128 N -3.22 4.33 -0.80 0.00 2.56 -1.26 -3.95 118.70 116.36 2kh2 s GLU 128 Ca 0.81 1.11 0.00 0.00 0.00 0.00 0.00 54.97 56.89 2kh2 s GLU 128 Cb -0.39 -2.50 0.00 0.00 2.00 0.00 0.00 34.13 33.25 2kh2 s GLU 128 CO 0.42 0.14 0.00 -1.71 -0.56 0.00 0.00 175.26 173.55 2kh2 n ASN 129 N -0.05 -3.20 -4.86 -1.70 5.15 -1.22 -5.02 115.26 104.34 2kh2 n ASN 129 Ca 0.04 -0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.65 2kh2 n ASN 129 Cb 0.52 -2.46 -0.06 0.00 -0.53 0.00 0.00 39.78 37.25 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 -4.43 3.68 0.98 1.20 -1.94 -1.19 -4.88 119.30 112.72 2kh2 s MET 130 Ca 0.00 0.11 -0.15 0.00 -1.71 0.00 0.00 55.69 53.94 2kh2 s MET 130 Cb 0.00 -3.15 0.18 0.00 2.01 0.00 0.00 34.83 33.87 2kh2 s MET 130 CO 0.00 0.69 1.19 -1.25 -0.01 0.00 0.00 175.02 175.64 2kh2 s PRO 131 N -1.33 0.54 -0.21 2.03 0.04 -1.26 0.17 135.00 134.99 2kh2 s PRO 131 Ca 0.23 0.00 -0.15 0.00 0.04 0.00 0.00 61.00 61.13 2kh2 s PRO 131 Cb -0.14 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2kh2 s PRO 131 CO 0.12 -2.55 0.34 0.08 0.04 0.00 0.00 177.00 175.03 2kh2 s VAL 132 N -3.42 5.24 0.28 -0.36 1.01 -0.60 -4.66 120.40 117.89 2kh2 s VAL 132 Ca 0.68 0.58 0.02 0.00 0.00 0.00 0.00 61.98 63.27 2kh2 s VAL 132 Cb -0.10 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2kh2 s VAL 132 CO 0.53 0.28 0.16 0.72 0.00 0.00 0.00 175.10 176.79 2kh2 s PHE 133 N 1.23 1.52 -0.23 5.22 -0.12 -0.99 -4.88 117.98 119.73 2kh2 s PHE 133 Ca 0.16 -1.38 -0.11 0.00 -0.05 0.00 0.00 56.93 55.55 2kh2 s PHE 133 Cb -0.14 -0.79 -0.05 0.00 -0.63 0.00 0.00 43.02 41.41 2kh2 s PHE 133 CO 0.07 -0.56 0.19 -1.17 -0.05 0.00 0.00 175.22 173.70 2kh2 s LEU 134 N -3.32 4.13 -0.01 -1.99 2.96 -1.26 -0.36 118.68 118.83 2kh2 s LEU 134 Ca 0.37 0.19 0.06 0.00 -0.22 0.00 0.00 54.13 54.53 2kh2 s LEU 134 Cb 0.05 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 2kh2 s LEU 134 CO 0.17 0.06 -0.19 -0.83 -1.32 0.00 0.00 176.35 174.24 2kh2 s GLY 135 N 0.97 1.46 -0.10 7.98 0.00 0.86 -4.85 107.32 113.65 2kh2 s GLY 135 Ca 0.09 -1.10 0.19 0.00 0.00 0.00 0.00 44.72 43.91 2kh2 s GLY 135 CO 0.04 -0.92 1.61 0.61 0.00 0.00 0.00 173.10 174.44 2kh2 n GLY 136 N 2.10 2.75 2.93 0.20 0.00 -1.26 -0.33 105.19 111.59 2kh2 n GLY 136 Ca -0.17 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.74 1.84 -0.05 2.61 -4.23 -1.26 -4.82 115.64 107.99 2kh2 s THR 137 Ca 0.50 -2.01 -0.18 0.00 -1.18 0.00 0.00 61.69 58.82 2kh2 s THR 137 Cb 0.32 -2.35 -0.05 0.00 1.34 0.00 0.00 72.50 71.76 2kh2 s THR 137 CO 0.25 -0.59 0.51 -0.75 -0.54 0.00 0.00 174.62 173.50 2kh2 s LYS 138 N 1.13 4.25 0.00 3.99 2.20 -1.26 -3.95 119.74 126.10 2kh2 s LYS 138 Ca 0.09 0.55 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 2kh2 s LYS 138 Cb -0.18 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 2kh2 s LYS 138 CO -0.13 0.35 0.00 0.41 -0.36 0.00 0.00 175.35 175.62 2kh2 n GLY 139 N 2.65 0.48 0.00 5.54 0.00 -1.26 -5.03 105.19 107.56 2kh2 n GLY 139 Ca -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.87 1.14 0.10 -0.02 0.00 -1.25 -5.02 105.19 97.26 2kh2 n GLY 140 Ca 0.00 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 45.00 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 -6.73 1.61 7.50 -1.96 -3.46 115.11 112.22 2kh2 h GLN 141 Ca 0.00 -0.25 -0.51 0.00 0.50 0.00 0.00 58.65 58.39 2kh2 h GLN 141 Cb 0.00 0.09 0.01 0.00 0.05 0.00 0.00 27.48 27.64 2kh2 h GLN 141 CO 0.00 1.12 0.49 -0.51 -1.50 0.00 0.00 178.83 178.43 2kh2 s ASP 142 N -6.77 7.25 0.03 1.46 1.01 -1.26 -4.61 116.67 113.77 2kh2 s ASP 142 Ca -0.20 2.19 -0.30 0.00 0.71 0.00 0.00 52.55 54.96 2kh2 s ASP 142 Cb 0.02 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.25 2kh2 s ASP 142 CO 0.73 -0.20 1.86 -0.63 0.21 0.00 0.00 175.17 177.14 2kh2 s ILE 143 N -0.65 3.10 -0.50 0.77 1.01 0.48 -4.68 121.20 120.73 2kh2 s ILE 143 Ca 0.47 0.21 0.06 0.00 0.00 0.00 0.00 60.65 61.40 2kh2 s ILE 143 Cb -0.31 -3.14 0.18 0.00 0.01 0.00 0.00 42.46 39.20 2kh2 s ILE 143 CO 0.38 -0.02 1.15 0.41 0.00 0.00 0.00 174.94 176.86 2kh2 n THR 144 N 5.40 1.04 -4.40 2.92 -1.04 -1.26 -1.56 114.28 115.38 2kh2 n THR 144 Ca 0.19 -1.03 -0.24 0.00 -2.04 0.00 0.00 64.05 60.93 2kh2 n THR 144 Cb 0.41 0.48 -0.13 0.00 -1.82 0.00 0.00 70.33 69.27 2kh2 n THR 144 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2kh2 s ASP 145 N -1.04 2.35 0.21 8.00 -4.77 -1.26 -4.47 116.67 115.68 2kh2 s ASP 145 Ca 0.14 -0.60 -0.00 0.00 -3.30 0.00 0.00 52.55 48.78 2kh2 s ASP 145 Cb 0.07 -0.15 -0.04 0.00 -1.09 0.00 0.00 42.92 41.71 2kh2 s ASP 145 CO 0.09 0.08 0.10 -0.36 0.70 0.00 0.00 175.17 175.77 2kh2 s PHE 146 N -1.02 1.24 0.06 2.11 0.08 0.12 -3.87 117.98 116.69 2kh2 s PHE 146 Ca 0.05 -1.27 0.08 0.00 0.12 0.00 0.00 56.93 55.92 2kh2 s PHE 146 Cb -0.09 -0.66 -0.03 0.00 -0.57 0.00 0.00 43.02 41.66 2kh2 s PHE 146 CO 0.03 -0.50 -0.22 0.95 -0.10 0.00 0.00 175.22 175.39 2kh2 s THR 147 N -3.98 2.54 -0.30 0.64 -4.23 0.11 -0.07 115.64 110.35 2kh2 s THR 147 Ca 0.35 -1.36 -0.08 0.00 -1.18 0.00 0.00 61.69 59.42 2kh2 s THR 147 Cb 0.07 -2.07 -0.00 0.00 1.34 0.00 0.00 72.50 71.84 2kh2 s THR 147 CO 0.10 0.28 0.11 -0.32 -0.54 0.00 0.00 174.62 174.26 2kh2 s MET 148 N -1.56 3.25 -0.20 3.99 1.75 -1.26 -2.82 119.30 122.46 2kh2 s MET 148 Ca 0.14 -0.76 0.01 0.00 -1.25 0.00 0.00 55.69 53.83 2kh2 s MET 148 Cb -0.10 -3.45 0.04 0.00 2.84 0.00 0.00 34.83 34.16 2kh2 s MET 148 CO 0.05 -0.41 -0.11 -0.65 -0.65 0.00 0.00 175.02 173.26 2kh2 s GLN 149 N 1.56 2.09 0.29 4.11 1.11 -0.81 -4.99 119.66 123.02 2kh2 s GLN 149 Ca 0.04 -0.83 -0.28 0.00 0.01 0.00 0.00 55.36 54.30 2kh2 s GLN 149 Cb -0.17 -2.40 -0.09 0.00 -1.01 0.00 0.00 33.01 29.33 2kh2 s GLN 149 CO 0.04 -0.41 1.00 -0.06 0.01 0.00 0.00 175.29 175.87 2kh2 s PHE 150 N 1.39 3.70 0.53 0.91 0.08 -1.26 0.08 117.98 123.41 2kh2 s PHE 150 Ca -0.01 1.79 0.01 0.00 0.12 0.00 0.00 56.93 58.84 2kh2 s PHE 150 Cb -0.16 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.23 2kh2 s PHE 150 CO -0.08 -0.02 0.06 0.14 -0.10 0.00 0.00 175.22 175.22 2kh2 s VAL 151 N -1.36 1.11 -1.44 -0.44 -7.23 -1.17 -4.91 120.40 104.96 2kh2 s VAL 151 Ca 0.47 -1.93 -0.12 0.00 -1.81 0.00 0.00 61.98 58.58 2kh2 s VAL 151 Cb -0.25 -2.04 0.05 0.00 0.56 0.00 0.00 36.38 34.70 2kh2 s VAL 151 CO 0.31 0.00 2.25 -1.20 -0.31 0.00 0.00 175.10 176.16 2kh2 n SER 152 N -1.37 4.75 0.00 4.85 7.64 -1.26 -4.87 113.62 123.36 2kh2 n SER 152 Ca -0.19 -2.87 0.00 0.00 1.01 0.00 0.00 58.87 56.83 2kh2 n SER 152 Cb 0.67 -1.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83