#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 -5.26 0.00 0.13 -2.05 -3.45 132.00 121.37 2kh2 h PRO 2 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 2kh2 h PRO 2 Cb 0.00 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 30.85 2kh2 h PRO 2 CO 0.00 0.61 -0.80 0.54 -0.23 0.00 0.00 178.00 178.11 2kh2 s VAL 3 N -3.06 1.08 0.07 1.56 0.11 -1.26 -4.99 120.40 113.90 2kh2 s VAL 3 Ca 0.02 -0.71 -0.15 0.00 -2.93 0.00 0.00 61.98 58.22 2kh2 s VAL 3 Cb 0.09 -0.93 -0.06 0.00 -1.53 0.00 0.00 36.38 33.95 2kh2 s VAL 3 CO 0.75 0.21 0.48 -0.13 -3.33 0.00 0.00 175.10 173.08 2kh2 s ARG 4 N -0.57 3.97 -0.10 1.54 0.52 -1.26 -4.99 118.95 118.06 2kh2 s ARG 4 Ca 0.04 0.46 -0.19 0.00 -0.52 0.00 0.00 55.73 55.52 2kh2 s ARG 4 Cb -0.06 -3.11 0.04 0.00 0.52 0.00 0.00 34.95 32.34 2kh2 s ARG 4 CO 0.00 0.60 0.47 -1.12 0.02 0.00 0.00 175.30 175.27 2kh2 s SER 5 N -1.37 -0.43 0.28 0.23 0.01 -1.26 -1.53 113.70 109.63 2kh2 s SER 5 Ca 0.30 0.63 0.03 0.00 1.31 0.00 0.00 55.95 58.21 2kh2 s SER 5 Cb -0.16 0.67 -0.06 0.00 0.21 0.00 0.00 66.02 66.68 2kh2 s SER 5 CO 0.17 -0.35 0.06 -1.48 0.41 0.00 0.00 173.24 172.04 2kh2 s LEU 6 N -0.57 2.00 -0.01 2.44 0.05 -0.90 -4.94 118.68 116.75 2kh2 s LEU 6 Ca -0.07 -1.35 0.03 0.00 0.05 0.00 0.00 54.13 52.79 2kh2 s LEU 6 Cb -0.03 -0.23 -0.03 0.00 -2.05 0.00 0.00 46.19 43.85 2kh2 s LEU 6 CO 0.04 -0.63 -0.07 0.20 -0.55 0.00 0.00 176.35 175.34 2kh2 s ASN 7 N -3.39 4.62 0.14 1.48 0.01 -1.26 -0.43 114.94 116.11 2kh2 s ASN 7 Ca 0.35 -0.13 -0.24 0.00 -0.71 0.00 0.00 52.86 52.13 2kh2 s ASN 7 Cb 0.08 -1.09 0.07 0.00 0.41 0.00 0.00 41.25 40.72 2kh2 s ASN 7 CO 0.14 0.29 0.74 0.00 -1.51 0.00 0.00 177.10 176.76 2kh2 s THR 9 N -3.56 3.42 -0.13 0.00 -4.23 0.13 -0.73 115.64 110.53 2kh2 s THR 9 Ca 0.05 -0.75 -0.02 0.00 -1.18 0.00 0.00 61.69 59.80 2kh2 s THR 9 Cb -0.02 -2.43 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 2kh2 s THR 9 CO -0.07 0.48 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.65 2kh2 s LEU 10 N -1.12 3.02 0.02 4.79 1.43 -1.26 -0.93 118.68 124.62 2kh2 s LEU 10 Ca 0.14 -0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 2kh2 s LEU 10 Cb -0.11 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 2kh2 s LEU 10 CO 0.04 0.19 -0.11 -0.13 0.23 0.00 0.00 176.35 176.57 2kh2 s ARG 11 N 0.21 0.78 0.93 1.70 0.52 -1.13 -3.49 118.95 118.48 2kh2 s ARG 11 Ca -0.05 -0.59 -0.14 0.00 -0.52 0.00 0.00 55.73 54.44 2kh2 s ARG 11 Cb -0.14 -0.74 0.20 0.00 0.52 0.00 0.00 34.95 34.78 2kh2 s ARG 11 CO 0.04 0.19 1.28 0.16 0.02 0.00 0.00 175.30 176.98 2kh2 s ASP 12 N -0.86 3.22 0.14 0.23 1.47 -0.63 -0.18 116.67 120.07 2kh2 s ASP 12 Ca 0.00 0.11 0.15 0.00 1.18 0.00 0.00 52.55 53.99 2kh2 s ASP 12 Cb -0.06 -0.17 0.68 0.00 -0.34 0.00 0.00 42.92 43.03 2kh2 s ASP 12 CO 0.01 -2.65 1.46 -1.54 0.68 0.00 0.00 175.17 173.12 2kh2 n SER 13 N -3.64 0.30 -1.26 2.11 3.41 -1.24 -1.30 113.62 112.01 2kh2 n SER 13 Ca 0.16 0.60 0.11 0.00 -0.26 0.00 0.00 58.87 59.48 2kh2 n SER 13 Cb 0.60 -0.65 0.30 0.00 -0.26 0.00 0.00 64.21 64.19 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 -1.86 2.58 -1.19 4.33 1.13 -1.26 -4.92 117.38 116.19 2kh2 n GLN 14 Ca 0.01 -2.45 -0.06 0.00 -1.94 0.00 0.00 57.00 52.56 2kh2 n GLN 14 Cb 0.11 -1.53 -0.03 0.00 0.11 0.00 0.00 30.24 28.90 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 1.50 -0.79 -2.85 -1.09 1.13 -0.42 -4.96 117.38 109.90 2kh2 n GLN 15 Ca 0.23 0.63 -0.38 0.00 -1.94 0.00 0.00 57.00 55.54 2kh2 n GLN 15 Cb 0.58 -4.49 -0.06 0.00 0.11 0.00 0.00 30.24 26.38 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 -2.17 4.62 0.12 -1.09 1.02 -1.26 -4.50 119.74 116.48 2kh2 s LYS 16 Ca 0.00 1.29 0.06 0.00 0.02 0.00 0.00 55.97 57.34 2kh2 s LYS 16 Cb 0.00 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 34.24 2kh2 s LYS 16 CO 0.00 0.41 -0.02 -1.12 -0.92 0.00 0.00 175.35 173.71 2kh2 s SER 17 N -1.42 4.84 -0.16 2.83 0.01 0.12 -1.60 113.70 118.32 2kh2 s SER 17 Ca 0.44 -0.28 -0.26 0.00 1.31 0.00 0.00 55.95 57.16 2kh2 s SER 17 Cb -0.21 -1.08 -0.01 0.00 0.21 0.00 0.00 66.02 64.92 2kh2 s SER 17 CO 0.26 0.15 0.86 -0.76 0.41 0.00 0.00 173.24 174.16 2kh2 s LEU 18 N -2.50 4.19 0.11 2.44 1.43 -1.23 -1.34 118.68 121.79 2kh2 s LEU 18 Ca 0.26 1.24 0.09 0.00 -1.03 0.00 0.00 54.13 54.68 2kh2 s LEU 18 Cb -0.11 -3.29 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 2kh2 s LEU 18 CO 0.18 -0.40 -0.21 0.68 0.23 0.00 0.00 176.35 176.82 2kh2 s VAL 19 N 2.10 1.78 -0.43 -1.59 -7.23 0.11 -2.52 120.40 112.63 2kh2 s VAL 19 Ca 0.40 -1.62 -0.29 0.00 -1.81 0.00 0.00 61.98 58.66 2kh2 s VAL 19 Cb -0.17 -1.64 0.02 0.00 0.56 0.00 0.00 36.38 35.15 2kh2 s VAL 19 CO 0.13 -0.08 1.22 -0.04 -0.31 0.00 0.00 175.10 176.02 2kh2 s MET 20 N -2.04 3.74 0.00 4.82 -1.94 -1.26 -0.70 119.30 121.91 2kh2 s MET 20 Ca 0.08 0.78 0.00 0.00 -1.71 0.00 0.00 55.69 54.85 2kh2 s MET 20 Cb -0.09 -3.92 0.00 0.00 2.01 0.00 0.00 34.83 32.83 2kh2 s MET 20 CO 0.05 -1.36 0.20 0.45 -0.01 0.00 0.00 175.02 174.35 2kh2 n SER 21 N 7.98 0.00 -0.88 3.03 2.88 0.34 -4.93 113.62 122.03 2kh2 n SER 21 Ca 0.13 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 2kh2 n SER 21 Cb 0.48 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 1.44 5.28 0.21 0.46 0.00 -1.12 -4.96 105.19 106.50 2kh2 n GLY 22 Ca 0.00 -2.10 0.06 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.02 1.61 0.13 -2.04 -3.21 132.00 128.47 2kh2 h PRO 23 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 2kh2 h PRO 23 Cb 0.00 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.92 2kh2 h PRO 23 CO 0.00 0.27 -0.78 0.66 -0.23 0.00 0.00 178.00 177.91 2kh2 n TYR 24 N -3.99 0.07 -3.96 1.56 4.01 -1.26 -5.06 117.16 108.54 2kh2 n TYR 24 Ca -0.02 -1.03 -0.13 0.00 -0.16 0.00 0.00 57.90 56.55 2kh2 n TYR 24 Cb 0.34 -0.20 -0.14 0.00 -0.31 0.00 0.00 39.34 39.02 2kh2 n TYR 24 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2kh2 s GLU 25 N -1.66 0.14 -0.01 -0.72 2.12 -1.21 -4.56 118.70 112.80 2kh2 s GLU 25 Ca 0.36 -0.05 0.07 0.00 0.36 0.00 0.00 54.97 55.70 2kh2 s GLU 25 Cb 0.38 -0.14 -0.02 0.00 0.26 0.00 0.00 34.13 34.61 2kh2 s GLU 25 CO -0.12 0.03 -0.21 -0.51 -0.54 0.00 0.00 175.26 173.91 2kh2 s LEU 26 N 0.00 2.05 0.16 2.70 1.43 -1.26 -0.50 118.68 123.26 2kh2 s LEU 26 Ca 0.00 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 2kh2 s LEU 26 Cb -0.01 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 2kh2 s LEU 26 CO -0.00 0.25 -0.16 -0.54 0.23 0.00 0.00 176.35 176.13 2kh2 s LYS 27 N -0.57 1.20 -0.17 1.70 1.02 0.12 -2.78 119.74 120.27 2kh2 s LYS 27 Ca 0.08 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.67 2kh2 s LYS 27 Cb -0.08 -1.13 0.01 0.00 -0.52 0.00 0.00 37.83 36.11 2kh2 s LYS 27 CO -0.01 0.21 -0.16 0.00 -0.92 0.00 0.00 175.35 174.48 2kh2 s ALA 28 N -2.34 2.45 0.14 5.17 0.00 0.33 0.06 121.76 127.57 2kh2 s ALA 28 Ca 0.15 -1.12 -0.15 0.00 0.00 0.00 0.00 51.96 50.84 2kh2 s ALA 28 Cb -0.04 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.87 2kh2 s ALA 28 CO 0.05 -0.18 0.40 -0.48 0.00 0.00 0.00 175.76 175.55 2kh2 s LEU 29 N 1.04 0.48 -0.03 0.00 0.05 -0.45 -1.82 118.68 117.96 2kh2 s LEU 29 Ca -0.01 -0.46 -0.30 0.00 0.05 0.00 0.00 54.13 53.41 2kh2 s LEU 29 Cb -0.15 1.76 -0.06 0.00 -2.05 0.00 0.00 46.19 45.70 2kh2 s LEU 29 CO -0.05 -0.90 1.56 -1.00 -0.55 0.00 0.00 176.35 175.41 2kh2 s HIS 30 N -3.85 2.34 -0.43 3.48 3.76 -1.26 0.11 115.29 119.44 2kh2 s HIS 30 Ca 0.07 0.44 0.03 0.00 -0.15 0.00 0.00 55.06 55.44 2kh2 s HIS 30 Cb 0.02 -3.83 0.12 0.00 1.11 0.00 0.00 32.58 30.00 2kh2 s HIS 30 CO -0.08 -3.33 0.19 -1.17 -0.85 0.00 0.00 174.74 169.50 2kh2 s LEU 31 N 3.36 3.50 0.00 0.89 2.96 -1.26 -4.93 118.68 123.20 2kh2 s LEU 31 Ca 0.69 -2.51 0.00 0.00 -0.22 0.00 0.00 54.13 52.10 2kh2 s LEU 31 Cb -0.33 -1.30 0.00 0.00 0.50 0.00 0.00 46.19 45.06 2kh2 s LEU 31 CO 0.28 -0.30 0.00 0.00 -1.32 0.00 0.00 176.35 175.01 2kh2 n GLN 32 N 3.74 3.77 0.00 1.98 6.02 -1.26 -4.43 117.38 127.20 2kh2 n GLN 32 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2kh2 n GLN 32 Cb 0.36 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.62 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 2.13 1.07 1.08 0.00 -1.26 -2.52 105.19 110.69 2kh2 n GLY 33 Ca 0.00 -0.48 0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 8.07 2.35 -0.05 1.61 -0.06 -1.26 -3.86 117.38 124.18 2kh2 n GLN 34 Ca 0.00 -2.10 0.12 0.00 -2.00 0.00 0.00 57.00 53.02 2kh2 n GLN 34 Cb 0.00 -1.46 0.16 0.00 -4.06 0.00 0.00 30.24 24.88 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 1.21 3.00 0.31 1.69 9.92 -1.05 -4.27 116.55 127.37 2kh2 n ASP 35 Ca 0.20 -1.96 0.20 0.00 -0.53 0.00 0.00 54.79 52.70 2kh2 n ASP 35 Cb 0.50 -0.07 1.02 0.00 -0.64 0.00 0.00 41.12 41.93 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 4.45 0.00 0.00 -1.24 4.05 -1.64 -2.09 114.93 118.46 2kh2 h MET 36 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kh2 h MET 36 Cb 0.96 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.76 2kh2 h MET 36 CO 0.00 0.01 0.00 0.39 0.23 0.00 0.00 176.91 177.54 2kh2 n GLU 37 N -3.17 0.33 -0.04 0.39 1.02 -1.26 -2.28 120.64 115.64 2kh2 n GLU 37 Ca -0.02 0.09 0.09 0.00 -0.02 0.00 0.00 57.16 57.30 2kh2 n GLU 37 Cb 0.15 -1.50 0.42 0.00 -0.02 0.00 0.00 31.44 30.50 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 -1.22 1.28 -1.87 3.49 6.02 -0.79 -4.89 117.38 119.41 2kh2 n GLN 38 Ca 0.10 -0.42 -0.41 0.00 -0.01 0.00 0.00 57.00 56.25 2kh2 n GLN 38 Cb 0.12 -1.30 -0.01 0.00 1.02 0.00 0.00 30.24 30.07 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 -1.91 4.17 0.04 -1.09 -2.07 -0.96 -4.76 119.66 113.08 2kh2 s GLN 39 Ca 0.27 2.48 -0.25 0.00 -1.82 0.00 0.00 55.36 56.04 2kh2 s GLN 39 Cb 0.13 -3.02 -0.05 0.00 -1.09 0.00 0.00 33.01 28.98 2kh2 s GLN 39 CO 0.21 -0.50 0.76 0.08 -1.32 0.00 0.00 175.29 174.52 2kh2 s VAL 40 N -0.61 4.74 -0.24 3.63 1.01 -1.05 -5.04 120.40 122.84 2kh2 s VAL 40 Ca 0.56 1.61 -0.12 0.00 0.00 0.00 0.00 61.98 64.03 2kh2 s VAL 40 Cb -0.45 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 31.78 2kh2 s VAL 40 CO 0.54 0.37 0.22 -0.69 0.00 0.00 0.00 175.10 175.54 2kh2 s VAL 41 N -0.06 5.31 -0.16 2.92 1.01 -1.26 -4.55 120.40 123.62 2kh2 s VAL 41 Ca 0.38 0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.60 2kh2 s VAL 41 Cb -0.20 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2kh2 s VAL 41 CO 0.23 0.30 0.04 -0.36 0.00 0.00 0.00 175.10 175.31 2kh2 s PHE 42 N 1.27 3.21 -0.18 5.22 0.08 0.09 -1.64 117.98 126.03 2kh2 s PHE 42 Ca 0.10 0.04 -0.18 0.00 0.12 0.00 0.00 56.93 57.01 2kh2 s PHE 42 Cb -0.14 -2.01 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 2kh2 s PHE 42 CO 0.06 0.19 0.51 -1.12 -0.10 0.00 0.00 175.22 174.76 2kh2 s SER 43 N 0.14 6.59 -0.40 1.36 0.01 0.39 -1.64 113.70 120.15 2kh2 s SER 43 Ca 0.03 0.70 -0.11 0.00 1.31 0.00 0.00 55.95 57.88 2kh2 s SER 43 Cb -0.13 -2.29 0.05 0.00 0.21 0.00 0.00 66.02 63.86 2kh2 s SER 43 CO 0.01 -0.14 0.25 -0.04 0.41 0.00 0.00 173.24 173.73 2kh2 s MET 44 N 1.40 2.79 -0.01 12.44 -1.94 0.43 -2.27 119.30 132.14 2kh2 s MET 44 Ca 0.24 -1.21 -0.18 0.00 -1.71 0.00 0.00 55.69 52.83 2kh2 s MET 44 Cb -0.15 -3.81 -0.06 0.00 2.01 0.00 0.00 34.83 32.82 2kh2 s MET 44 CO 0.10 -0.81 0.51 -1.12 -0.01 0.00 0.00 175.02 173.68 2kh2 s SER 45 N 1.83 6.89 -0.87 3.03 0.01 -1.09 -2.13 113.70 121.37 2kh2 s SER 45 Ca 0.03 1.06 -0.23 0.00 1.31 0.00 0.00 55.95 58.12 2kh2 s SER 45 Cb -0.21 -2.31 0.07 0.00 0.21 0.00 0.00 66.02 63.78 2kh2 s SER 45 CO 0.06 0.19 1.24 -0.36 0.41 0.00 0.00 173.24 174.78 2kh2 s PHE 46 N -0.52 2.65 0.48 2.43 0.40 -0.58 -0.80 117.98 122.04 2kh2 s PHE 46 Ca 0.27 -0.76 -0.08 0.00 -0.60 0.00 0.00 56.93 55.76 2kh2 s PHE 46 Cb -0.17 -4.51 0.11 0.00 0.51 0.00 0.00 43.02 38.96 2kh2 s PHE 46 CO 0.15 -1.80 0.58 1.33 0.70 0.00 0.00 175.22 176.18 2kh2 n VAL 47 N 6.26 0.00 -4.57 -0.44 0.24 -1.10 -4.71 118.33 114.01 2kh2 n VAL 47 Ca 0.18 -0.39 -0.31 0.00 -2.04 0.00 0.00 64.34 61.78 2kh2 n VAL 47 Cb 0.49 -1.61 -0.17 0.00 -1.47 0.00 0.00 33.84 31.08 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 -4.28 2.66 0.00 7.34 2.00 -1.02 -4.86 119.66 121.51 2kh2 s GLN 48 Ca 0.34 -0.72 0.00 0.00 -2.00 0.00 0.00 55.36 52.98 2kh2 s GLN 48 Cb -0.01 -2.19 0.00 0.00 0.80 0.00 0.00 33.01 31.60 2kh2 s GLN 48 CO 0.24 -0.04 0.00 0.41 -0.50 0.00 0.00 175.29 175.41 2kh2 n GLY 49 N 4.13 -0.35 3.56 2.59 0.00 -1.26 -4.86 105.19 109.01 2kh2 n GLY 49 Ca -0.19 0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2kh2 n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kh2 s GLU 50 N 0.00 2.92 -0.36 1.61 2.56 -1.26 -4.94 118.70 119.22 2kh2 s GLU 50 Ca 0.00 -0.46 -0.18 0.00 0.00 0.00 0.00 54.97 54.32 2kh2 s GLU 50 Cb 0.00 -5.05 0.00 0.00 2.00 0.00 0.00 34.13 31.08 2kh2 s GLU 50 CO 0.00 -2.89 0.53 -2.00 -0.56 0.00 0.00 175.26 170.34 2kh2 s GLU 51 N 6.32 3.56 0.23 4.30 2.12 -1.26 -3.94 118.70 130.03 2kh2 s GLU 51 Ca 0.61 -0.20 0.03 0.00 0.36 0.00 0.00 54.97 55.77 2kh2 s GLU 51 Cb -0.05 -3.83 -0.05 0.00 0.26 0.00 0.00 34.13 30.46 2kh2 s GLU 51 CO -0.01 -0.70 -0.00 -1.12 -0.54 0.00 0.00 175.26 172.89 2kh2 s SER 52 N 1.79 1.80 0.35 -1.70 0.01 -0.24 -5.02 113.70 110.69 2kh2 s SER 52 Ca 0.19 -1.22 0.18 0.00 1.31 0.00 0.00 55.95 56.41 2kh2 s SER 52 Cb -0.15 0.02 0.51 0.00 0.21 0.00 0.00 66.02 66.60 2kh2 s SER 52 CO 0.14 -0.52 1.65 0.78 0.41 0.00 0.00 173.24 175.70 2kh2 h ASN 53 N 2.48 0.00 -0.08 2.44 4.21 -1.99 -3.17 115.58 119.47 2kh2 h ASN 53 Ca -0.38 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.13 2kh2 h ASN 53 Cb 1.22 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 2kh2 h ASN 53 CO 0.64 0.41 0.00 -0.90 -1.29 0.00 0.00 177.43 176.30 2kh2 n ASP 54 N -3.43 2.26 -3.46 5.81 5.75 -1.26 -4.89 116.55 117.34 2kh2 n ASP 54 Ca 0.00 -2.12 -0.22 0.00 -0.01 0.00 0.00 54.79 52.45 2kh2 n ASP 54 Cb 0.57 -0.10 -0.12 0.00 -1.03 0.00 0.00 41.12 40.45 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2kh2 s LYS 55 N -1.21 0.27 -0.30 0.11 1.02 -1.20 -0.84 119.74 117.60 2kh2 s LYS 55 Ca 0.08 -0.30 -0.16 0.00 0.02 0.00 0.00 55.97 55.62 2kh2 s LYS 55 Cb 0.06 -0.86 -0.02 0.00 -0.52 0.00 0.00 37.83 36.48 2kh2 s LYS 55 CO 0.04 -1.03 0.40 0.42 -0.92 0.00 0.00 175.35 174.26 2kh2 s ILE 56 N 2.25 5.14 -0.47 2.17 -1.09 0.21 -1.08 121.20 128.33 2kh2 s ILE 56 Ca 0.09 0.43 -0.29 0.00 -2.23 0.00 0.00 60.65 58.65 2kh2 s ILE 56 Cb -0.15 -3.78 0.02 0.00 -1.58 0.00 0.00 42.46 36.97 2kh2 s ILE 56 CO -0.34 0.03 1.35 -2.16 -1.23 0.00 0.00 174.94 172.59 2kh2 s PRO 57 N 2.13 3.53 0.20 2.79 0.04 -1.25 -0.21 135.00 142.22 2kh2 s PRO 57 Ca 0.15 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.91 2kh2 s PRO 57 Cb -0.16 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.31 2kh2 s PRO 57 CO 0.11 -1.64 0.08 0.14 0.04 0.00 0.00 177.00 175.73 2kh2 s VAL 58 N 5.40 0.31 0.17 -0.36 -7.23 -0.49 -2.69 120.40 115.51 2kh2 s VAL 58 Ca 0.56 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.82 2kh2 s VAL 58 Cb -0.11 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 2kh2 s VAL 58 CO 0.30 -0.18 0.01 0.00 -0.31 0.00 0.00 175.10 174.92 2kh2 s ALA 59 N -3.92 3.22 -0.27 1.32 0.00 0.02 -0.43 121.76 121.70 2kh2 s ALA 59 Ca 0.33 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.95 2kh2 s ALA 59 Cb 0.07 -1.02 0.07 0.00 0.00 0.00 0.00 23.12 22.25 2kh2 s ALA 59 CO 0.09 0.49 -0.02 -0.51 0.00 0.00 0.00 175.76 175.81 2kh2 s LEU 60 N -2.94 3.05 0.27 0.00 1.43 -1.26 -2.66 118.68 116.58 2kh2 s LEU 60 Ca 0.28 -1.46 0.05 0.00 -1.03 0.00 0.00 54.13 51.96 2kh2 s LEU 60 Cb -0.09 -1.26 -0.06 0.00 0.03 0.00 0.00 46.19 44.80 2kh2 s LEU 60 CO 0.19 -0.28 -0.00 -0.83 0.23 0.00 0.00 176.35 175.65 2kh2 s GLY 61 N 1.30 1.78 0.16 -3.19 0.00 -0.96 -1.19 107.32 105.22 2kh2 s GLY 61 Ca -0.01 -1.89 -0.23 0.00 0.00 0.00 0.00 44.72 42.59 2kh2 s GLY 61 CO -0.09 -1.76 0.73 1.08 0.00 0.00 0.00 173.10 173.06 2kh2 s LEU 62 N -3.40 4.53 0.15 0.66 1.02 -0.40 -0.46 118.68 120.79 2kh2 s LEU 62 Ca 0.31 1.53 -0.32 0.00 0.02 0.00 0.00 54.13 55.67 2kh2 s LEU 62 Cb 0.06 -3.28 -0.12 0.00 0.02 0.00 0.00 46.19 42.86 2kh2 s LEU 62 CO 0.12 0.19 1.73 1.17 0.02 0.00 0.00 176.35 179.57 2kh2 n LYS 63 N 1.44 2.58 -2.32 1.70 4.81 -0.65 -2.21 118.16 123.51 2kh2 n LYS 63 Ca -0.06 0.93 -0.14 0.00 -0.87 0.00 0.00 58.31 58.17 2kh2 n LYS 63 Cb 0.49 -2.77 -0.01 0.00 0.02 0.00 0.00 35.03 32.76 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 4.47 -2.03 -4.11 1.64 0.28 -1.26 -4.96 120.64 114.67 2kh2 n GLU 64 Ca 0.17 0.70 -0.15 0.00 -0.16 0.00 0.00 57.16 57.73 2kh2 n GLU 64 Cb 0.34 -5.28 -0.14 0.00 1.43 0.00 0.00 31.44 27.79 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 -4.84 0.41 -0.12 3.44 1.02 -0.94 -5.03 119.74 113.69 2kh2 s LYS 65 Ca 0.00 -0.32 0.01 0.00 0.02 0.00 0.00 55.97 55.68 2kh2 s LYS 65 Cb 0.00 -0.34 0.15 0.00 -0.52 0.00 0.00 37.83 37.12 2kh2 s LYS 65 CO 0.00 0.08 1.38 0.27 -0.92 0.00 0.00 175.35 176.17 2kh2 n ASN 66 N 2.58 3.76 -4.44 2.83 6.94 -1.26 -4.34 115.26 121.32 2kh2 n ASN 66 Ca -0.15 -2.45 -0.35 0.00 -0.02 0.00 0.00 54.58 51.60 2kh2 n ASN 66 Cb 0.57 -0.69 -0.13 0.00 -2.36 0.00 0.00 39.78 37.18 2kh2 n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2kh2 s LEU 67 N -0.80 3.32 0.12 -4.53 1.43 -1.26 -2.44 118.68 114.52 2kh2 s LEU 67 Ca 0.14 -0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 2kh2 s LEU 67 Cb 0.11 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2kh2 s LEU 67 CO 0.02 0.03 -0.20 -0.31 0.23 0.00 0.00 176.35 176.11 2kh2 s TYR 68 N 1.22 1.83 -0.22 0.29 1.51 -0.67 -1.28 117.35 120.03 2kh2 s TYR 68 Ca 0.04 -0.43 -0.29 0.00 -1.01 0.00 0.00 57.07 55.38 2kh2 s TYR 68 Cb -0.15 -0.98 -0.01 0.00 -0.11 0.00 0.00 41.96 40.72 2kh2 s TYR 68 CO 0.02 0.25 1.35 -0.51 -1.11 0.00 0.00 175.55 175.55 2kh2 s LEU 69 N -2.14 4.03 -0.05 -1.29 1.43 -0.33 -0.90 118.68 119.42 2kh2 s LEU 69 Ca 0.10 1.52 0.04 0.00 -1.03 0.00 0.00 54.13 54.75 2kh2 s LEU 69 Cb -0.09 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 2kh2 s LEU 69 CO 0.05 -0.96 -0.15 -0.55 0.23 0.00 0.00 176.35 174.97 2kh2 s SER 70 N 2.67 3.96 -0.32 2.29 0.15 0.95 -4.50 113.70 118.90 2kh2 s SER 70 Ca 0.59 -0.22 -0.08 0.00 0.70 0.00 0.00 55.95 56.94 2kh2 s SER 70 Cb -0.21 -0.85 0.02 0.00 -1.71 0.00 0.00 66.02 63.27 2kh2 s SER 70 CO 0.21 0.34 0.11 0.00 1.20 0.00 0.00 173.24 175.10 2kh2 s VAL 72 N 1.50 0.33 -0.28 0.00 -7.23 -0.89 -4.72 120.40 109.10 2kh2 s VAL 72 Ca 0.02 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.04 2kh2 s VAL 72 Cb -0.18 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 2kh2 s VAL 72 CO 0.04 -0.08 0.43 -0.76 -0.31 0.00 0.00 175.10 174.42 2kh2 s LEU 73 N -3.22 4.12 -0.19 1.32 1.43 -1.26 0.28 118.68 121.16 2kh2 s LEU 73 Ca 0.36 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.74 2kh2 s LEU 73 Cb 0.07 -2.51 0.03 0.00 0.03 0.00 0.00 46.19 43.82 2kh2 s LEU 73 CO 0.11 -0.27 -0.14 -0.54 0.23 0.00 0.00 176.35 175.74 2kh2 s LYS 74 N 2.18 2.40 -1.18 1.70 1.02 0.12 -4.73 119.74 121.26 2kh2 s LYS 74 Ca 0.17 -0.84 -0.02 0.00 0.02 0.00 0.00 55.97 55.30 2kh2 s LYS 74 Cb -0.16 -2.45 -0.01 0.00 -0.52 0.00 0.00 37.83 34.69 2kh2 s LYS 74 CO 0.10 -0.34 0.94 -3.47 -0.92 0.00 0.00 175.35 171.67 2kh2 n ASP 75 N 4.65 -2.98 -2.98 2.83 4.64 -1.26 -2.50 116.55 118.95 2kh2 n ASP 75 Ca -0.17 -0.67 -0.21 0.00 -1.38 0.00 0.00 54.79 52.36 2kh2 n ASP 75 Cb 0.48 -4.99 0.01 0.00 -1.04 0.00 0.00 41.12 35.58 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 -3.13 -5.05 -3.70 1.67 9.92 -1.26 -4.98 116.55 110.01 2kh2 n ASP 76 Ca -0.24 -0.22 -0.11 0.00 -0.53 0.00 0.00 54.79 53.68 2kh2 n ASP 76 Cb 0.66 -4.14 -0.10 0.00 -0.64 0.00 0.00 41.12 36.89 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2kh2 s LYS 77 N -5.64 0.47 0.05 -1.24 2.47 -1.04 -5.13 119.74 109.68 2kh2 s LYS 77 Ca 0.26 0.76 -0.30 0.00 -1.56 0.00 0.00 55.97 55.13 2kh2 s LYS 77 Cb -0.13 0.10 -0.08 0.00 -1.46 0.00 0.00 37.83 36.26 2kh2 s LYS 77 CO 0.32 -0.12 1.71 -2.14 0.16 0.00 0.00 175.35 175.28 2kh2 s PRO 78 N 0.97 4.18 0.00 4.03 0.02 -1.26 0.14 135.00 143.08 2kh2 s PRO 78 Ca -0.06 2.37 0.03 0.00 0.02 0.00 0.00 61.00 63.35 2kh2 s PRO 78 Cb -0.06 -3.73 -0.01 0.00 0.02 0.00 0.00 34.50 30.71 2kh2 s PRO 78 CO -0.08 -0.79 -0.09 0.99 -0.33 0.00 0.00 177.00 176.70 2kh2 s THR 79 N 3.12 0.70 0.19 0.99 2.01 0.14 -4.67 115.64 118.11 2kh2 s THR 79 Ca 0.76 -0.46 -0.22 0.00 0.31 0.00 0.00 61.69 62.08 2kh2 s THR 79 Cb -0.40 -0.60 -0.08 0.00 0.01 0.00 0.00 72.50 71.43 2kh2 s THR 79 CO 0.33 0.14 0.73 -0.22 -0.69 0.00 0.00 174.62 174.91 2kh2 s LEU 80 N -0.37 4.47 0.29 4.42 2.96 -1.26 -2.10 118.68 127.09 2kh2 s LEU 80 Ca 0.02 1.51 -0.13 0.00 -0.22 0.00 0.00 54.13 55.31 2kh2 s LEU 80 Cb -0.04 -3.40 0.01 0.00 0.50 0.00 0.00 46.19 43.26 2kh2 s LEU 80 CO -0.00 0.13 0.57 0.00 -1.32 0.00 0.00 176.35 175.73 2kh2 s GLN 81 N -1.54 1.77 -0.31 1.98 -2.07 -0.06 -4.88 119.66 114.55 2kh2 s GLN 81 Ca 0.39 -1.33 -0.10 0.00 -1.82 0.00 0.00 55.36 52.49 2kh2 s GLN 81 Cb -0.20 0.52 -0.02 0.00 -1.09 0.00 0.00 33.01 32.22 2kh2 s GLN 81 CO 0.23 -0.77 0.16 -0.51 -1.32 0.00 0.00 175.29 173.08 2kh2 s LEU 82 N -3.05 4.09 -0.06 2.60 2.01 -1.26 -0.04 118.68 122.97 2kh2 s LEU 82 Ca 0.21 -0.42 -0.02 0.00 0.01 0.00 0.00 54.13 53.91 2kh2 s LEU 82 Cb -0.02 -2.03 -0.04 0.00 0.01 0.00 0.00 46.19 44.12 2kh2 s LEU 82 CO 0.11 -0.17 0.03 -0.70 1.01 0.00 0.00 176.35 176.64 2kh2 s GLU 83 N 1.64 3.02 -0.29 1.70 2.12 -0.08 -4.91 118.70 121.91 2kh2 s GLU 83 Ca 0.05 -0.42 -0.12 0.00 0.36 0.00 0.00 54.97 54.84 2kh2 s GLU 83 Cb -0.17 -2.83 -0.05 0.00 0.26 0.00 0.00 34.13 31.34 2kh2 s GLU 83 CO 0.07 0.69 0.22 -1.12 -0.54 0.00 0.00 175.26 174.57 2kh2 s SER 84 N -1.20 6.05 0.35 -1.70 0.01 -1.26 -1.68 113.70 114.27 2kh2 s SER 84 Ca 0.17 -0.02 0.09 0.00 1.31 0.00 0.00 55.95 57.50 2kh2 s SER 84 Cb -0.12 -2.13 -0.06 0.00 0.21 0.00 0.00 66.02 63.93 2kh2 s SER 84 CO 0.06 -0.08 0.00 0.68 0.41 0.00 0.00 173.24 174.31 2kh2 s VAL 85 N 1.79 2.54 -0.19 3.43 -7.23 -1.02 -5.06 120.40 114.66 2kh2 s VAL 85 Ca 0.08 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.94 2kh2 s VAL 85 Cb -0.16 -2.79 -0.08 0.00 0.56 0.00 0.00 36.38 33.92 2kh2 s VAL 85 CO 0.11 -0.19 2.14 -0.67 -0.31 0.00 0.00 175.10 176.18 2kh2 n ASP 86 N -0.94 3.19 0.26 4.85 4.64 -1.26 -4.86 116.55 122.43 2kh2 n ASP 86 Ca -0.04 0.44 0.09 0.00 -1.38 0.00 0.00 54.79 53.90 2kh2 n ASP 86 Cb 0.63 -1.47 0.68 0.00 -1.04 0.00 0.00 41.12 39.91 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 13.16 0.00 0.00 -0.67 0.13 -1.92 -1.71 132.00 141.00 2kh2 h PRO 87 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 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 0.97 0.04 -0.44 0.36 -0.23 0.00 0.00 178.00 178.70 2kh2 n LYS 88 N -4.30 0.12 0.00 0.86 2.85 -1.26 -3.61 118.16 112.82 2kh2 n LYS 88 Ca -0.03 0.04 0.10 0.00 -1.05 0.00 0.00 58.31 57.37 2kh2 n LYS 88 Cb 0.13 -1.59 0.08 0.00 -0.65 0.00 0.00 35.03 33.00 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 -1.77 2.59 -4.18 -5.58 2.85 -0.68 -4.97 115.26 103.53 2kh2 n ASN 89 Ca 0.05 -1.80 -0.14 0.00 -0.11 0.00 0.00 54.58 52.59 2kh2 n ASN 89 Cb 0.38 0.03 -0.11 0.00 1.24 0.00 0.00 39.78 41.33 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 -1.69 1.04 0.82 1.20 1.51 -0.98 -4.61 117.35 114.65 2kh2 s TYR 90 Ca 0.23 -0.71 -0.08 0.00 -1.01 0.00 0.00 57.07 55.49 2kh2 s TYR 90 Cb 0.16 -0.57 0.14 0.00 -0.11 0.00 0.00 41.96 41.59 2kh2 s TYR 90 CO 0.26 -0.02 1.13 -1.25 -1.11 0.00 0.00 175.55 174.57 2kh2 s PRO 91 N -3.06 1.36 0.14 -1.71 0.04 -1.26 -4.84 135.00 125.67 2kh2 s PRO 91 Ca 0.07 -0.65 -0.09 0.00 0.04 0.00 0.00 61.00 60.37 2kh2 s PRO 91 Cb -0.01 -2.10 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 2kh2 s PRO 91 CO -0.01 -1.80 0.27 -1.59 0.04 0.00 0.00 177.00 173.91 2kh2 s LYS 92 N -5.47 1.08 -0.06 4.56 -2.85 -1.26 -5.07 119.74 110.67 2kh2 s LYS 92 Ca 0.68 -1.08 -0.26 0.00 -1.00 0.00 0.00 55.97 54.31 2kh2 s LYS 92 Cb -0.06 0.38 -0.22 0.00 -2.06 0.00 0.00 37.83 35.87 2kh2 s LYS 92 CO 0.48 -0.39 1.08 -0.22 0.10 0.00 0.00 175.35 176.41 2kh2 h LYS 93 N 2.58 0.07 -4.59 1.78 3.64 -1.94 -3.36 116.57 114.74 2kh2 h LYS 93 Ca -0.32 -0.06 -0.73 0.00 -1.27 0.00 0.00 60.65 58.27 2kh2 h LYS 93 Cb 1.22 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 32.90 2kh2 h LYS 93 CO 0.50 0.75 1.71 1.17 -2.27 0.00 0.00 179.45 181.31 2kh2 n LYS 94 N -4.68 3.38 -1.62 1.90 3.00 -1.26 -2.42 118.16 116.45 2kh2 n LYS 94 Ca -0.09 -3.64 -0.29 0.00 -0.00 0.00 0.00 58.31 54.29 2kh2 n LYS 94 Cb 0.38 -3.09 0.11 0.00 0.00 0.00 0.00 35.03 32.43 2kh2 n LYS 94 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2kh2 s MET 95 N 1.74 1.67 0.57 1.64 -1.94 -1.26 -5.01 119.30 116.71 2kh2 s MET 95 Ca 0.44 0.38 -0.20 0.00 -1.71 0.00 0.00 55.69 54.60 2kh2 s MET 95 Cb 0.02 -1.89 -0.04 0.00 2.01 0.00 0.00 34.83 34.92 2kh2 s MET 95 CO 0.01 -1.85 1.21 -1.21 -0.01 0.00 0.00 175.02 173.17 2kh2 s GLU 96 N -5.30 3.13 0.57 2.03 8.01 -1.26 -4.86 118.70 121.02 2kh2 s GLU 96 Ca 0.62 1.84 0.28 0.00 0.01 0.00 0.00 54.97 57.73 2kh2 s GLU 96 Cb -0.14 -2.03 1.72 0.00 -4.31 0.00 0.00 34.13 29.37 2kh2 s GLU 96 CO 0.53 -1.09 2.21 -0.22 0.01 0.00 0.00 175.26 176.71 2kh2 h LYS 97 N 1.12 0.00 0.00 1.61 3.64 -1.95 0.72 116.57 121.72 2kh2 h LYS 97 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2kh2 h LYS 97 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2kh2 h LYS 97 CO 0.56 0.03 0.00 2.89 -2.27 0.00 0.00 179.45 180.66 2kh2 n ARG 98 N -3.84 0.16 -0.01 1.90 1.85 -1.26 -2.92 116.66 112.54 2kh2 n ARG 98 Ca -0.03 0.03 0.04 0.00 -1.00 0.00 0.00 57.85 56.89 2kh2 n ARG 98 Cb 0.11 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.06 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 -1.41 0.02 -3.49 2.89 3.72 0.21 -0.86 117.46 118.53 2kh2 n PHE 99 Ca 0.09 -0.03 -0.38 0.00 -0.05 0.00 0.00 57.45 57.09 2kh2 n PHE 99 Cb 0.28 -0.00 -0.09 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 -0.73 5.26 0.15 -4.37 1.01 -0.97 -4.13 120.40 116.62 2kh2 s VAL 100 Ca 0.10 0.47 0.08 0.00 0.00 0.00 0.00 61.98 62.64 2kh2 s VAL 100 Cb 0.07 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2kh2 s VAL 100 CO 0.11 0.27 -0.11 -0.36 0.00 0.00 0.00 175.10 175.01 2kh2 s PHE 101 N 1.38 2.64 -0.38 5.22 0.08 0.43 -2.05 117.98 125.30 2kh2 s PHE 101 Ca 0.14 -0.21 -0.09 0.00 0.12 0.00 0.00 56.93 56.88 2kh2 s PHE 101 Cb -0.15 -1.33 0.05 0.00 -0.57 0.00 0.00 43.02 41.03 2kh2 s PHE 101 CO 0.07 0.47 0.20 -0.80 -0.10 0.00 0.00 175.22 175.07 2kh2 s ASN 102 N -2.59 5.59 -0.78 1.36 0.02 0.18 -1.40 114.94 117.32 2kh2 s ASN 102 Ca 0.23 -1.22 -0.26 0.00 -1.02 0.00 0.00 52.86 50.59 2kh2 s ASN 102 Cb -0.10 -1.97 0.02 0.00 0.02 0.00 0.00 41.25 39.23 2kh2 s ASN 102 CO 0.14 -0.43 1.45 -0.75 0.02 0.00 0.00 177.10 177.54 2kh2 s LYS 103 N 1.47 3.13 0.05 -0.60 2.20 0.70 -1.44 119.74 125.25 2kh2 s LYS 103 Ca 0.01 -0.26 -0.25 0.00 -0.36 0.00 0.00 55.97 55.11 2kh2 s LYS 103 Cb -0.21 -4.49 -0.06 0.00 -1.51 0.00 0.00 37.83 31.57 2kh2 s LYS 103 CO 0.04 -2.34 0.78 0.42 -0.36 0.00 0.00 175.35 173.89 2kh2 s ILE 104 N 6.44 4.71 -0.60 5.43 1.01 0.12 -0.62 121.20 137.69 2kh2 s ILE 104 Ca 0.45 1.66 0.05 0.00 0.00 0.00 0.00 60.65 62.80 2kh2 s ILE 104 Cb -0.07 -4.13 0.34 0.00 0.01 0.00 0.00 42.46 38.61 2kh2 s ILE 104 CO 0.10 0.36 1.00 -0.62 0.00 0.00 0.00 174.94 175.79 2kh2 n GLU 105 N 2.77 3.36 0.15 2.79 1.02 -0.02 -1.39 120.64 129.32 2kh2 n GLU 105 Ca -0.02 -4.85 -0.15 0.00 -0.02 0.00 0.00 57.16 52.12 2kh2 n GLU 105 Cb 0.50 -2.25 -0.09 0.00 -0.02 0.00 0.00 31.44 29.58 2kh2 n GLU 105 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 2kh2 h ILE 106 N 2.93 0.00 0.00 -3.67 3.07 -1.82 -3.47 117.51 114.55 2kh2 h ILE 106 Ca 0.16 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.57 2kh2 h ILE 106 Cb 0.50 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.05 2kh2 h ILE 106 CO 0.84 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.48 2kh2 n ASN 107 N -5.11 0.00 0.21 2.16 0.23 -1.26 -5.00 115.26 106.50 2kh2 n ASN 107 Ca -0.08 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.05 2kh2 n ASN 107 Cb 0.38 0.00 0.41 0.00 -2.08 0.00 0.00 39.78 38.49 2kh2 n ASN 107 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 2kh2 h ASN 108 N 0.00 0.00 -2.99 0.53 -0.73 -2.01 -3.44 115.58 106.94 2kh2 h ASN 108 Ca 0.00 0.00 -0.61 0.00 1.87 0.00 0.00 56.30 57.56 2kh2 h ASN 108 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 38.51 2kh2 h ASN 108 CO 0.00 0.26 -0.57 -0.54 -0.37 0.00 0.00 177.43 176.21 2kh2 s LYS 109 N -3.61 2.98 -0.03 6.67 -0.14 -1.26 -5.04 119.74 119.31 2kh2 s LYS 109 Ca 0.01 -0.70 0.02 0.00 -1.36 0.00 0.00 55.97 53.94 2kh2 s LYS 109 Cb 0.10 -2.75 -0.03 0.00 -1.68 0.00 0.00 37.83 33.47 2kh2 s LYS 109 CO 0.65 0.55 -0.07 -0.51 -0.76 0.00 0.00 175.35 175.21 2kh2 s LEU 110 N -2.63 3.17 0.07 3.17 1.43 -0.90 -4.01 118.68 118.97 2kh2 s LEU 110 Ca 0.31 -0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.39 2kh2 s LEU 110 Cb -0.12 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 2kh2 s LEU 110 CO 0.23 0.32 -0.22 -1.61 0.23 0.00 0.00 176.35 175.30 2kh2 s GLU 111 N -1.17 1.38 -0.34 1.70 2.02 -0.49 -0.27 118.70 121.53 2kh2 s GLU 111 Ca 0.15 -1.07 -0.03 0.00 0.02 0.00 0.00 54.97 54.04 2kh2 s GLU 111 Cb -0.11 -1.59 0.07 0.00 0.10 0.00 0.00 34.13 32.60 2kh2 s GLU 111 CO 0.05 0.39 0.09 -0.06 0.02 0.00 0.00 175.26 175.75 2kh2 s PHE 112 N -0.93 3.37 0.12 1.61 0.08 -1.26 0.10 117.98 121.08 2kh2 s PHE 112 Ca 0.09 -1.98 -0.04 0.00 0.12 0.00 0.00 56.93 55.12 2kh2 s PHE 112 Cb -0.09 -2.52 -0.05 0.00 -0.57 0.00 0.00 43.02 39.78 2kh2 s PHE 112 CO 0.03 -0.85 0.34 -2.00 -0.10 0.00 0.00 175.22 172.64 2kh2 s GLU 113 N 1.24 3.59 -0.04 0.44 2.12 -0.52 -1.79 118.70 123.74 2kh2 s GLU 113 Ca 0.00 -0.13 -0.24 0.00 0.36 0.00 0.00 54.97 54.96 2kh2 s GLU 113 Cb -0.21 -2.90 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 2kh2 s GLU 113 CO -0.01 0.51 0.72 0.45 -0.54 0.00 0.00 175.26 176.39 2kh2 s SER 114 N -2.36 7.05 0.17 -1.70 0.15 -0.66 0.50 113.70 116.85 2kh2 s SER 114 Ca 0.39 1.26 -0.09 0.00 0.70 0.00 0.00 55.95 58.21 2kh2 s SER 114 Cb -0.12 -2.43 0.05 0.00 -1.71 0.00 0.00 66.02 61.80 2kh2 s SER 114 CO 0.24 -0.09 1.61 0.00 1.20 0.00 0.00 173.24 176.20 2kh2 h ALA 115 N 6.49 0.78 -0.15 5.45 0.00 -1.63 -2.92 119.26 127.27 2kh2 h ALA 115 Ca -0.42 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.01 2kh2 h ALA 115 Cb 1.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2kh2 h ALA 115 CO 0.74 0.68 -0.50 0.37 0.00 0.00 0.00 179.25 180.53 2kh2 h GLN 116 N 0.95 0.41 -3.08 0.00 4.15 -1.79 -3.38 115.11 112.37 2kh2 h GLN 116 Ca 0.15 -0.24 -0.62 0.00 0.77 0.00 0.00 58.65 58.71 2kh2 h GLN 116 Cb 0.65 0.02 -0.41 0.00 0.21 0.00 0.00 27.48 27.95 2kh2 h GLN 116 CO 0.04 0.82 -0.68 -0.06 -1.93 0.00 0.00 178.83 177.02 2kh2 s PHE 117 N -4.02 2.66 0.59 3.99 0.08 -1.13 -5.11 117.98 115.05 2kh2 s PHE 117 Ca -0.06 -2.87 -0.20 0.00 0.12 0.00 0.00 56.93 53.92 2kh2 s PHE 117 Cb 0.12 -2.29 -0.03 0.00 -0.57 0.00 0.00 43.02 40.24 2kh2 s PHE 117 CO 0.81 -0.72 1.28 -2.14 -0.10 0.00 0.00 175.22 174.36 2kh2 s PRO 118 N -0.30 2.92 0.00 0.24 0.02 -1.12 -2.40 135.00 134.36 2kh2 s PRO 118 Ca 0.20 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.26 2kh2 s PRO 118 Cb -0.18 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.31 2kh2 s PRO 118 CO -0.05 -1.30 0.00 0.09 -0.33 0.00 0.00 177.00 175.40 2kh2 n ASN 119 N -1.46 0.00 -4.33 2.53 5.03 -1.26 -4.97 115.26 110.80 2kh2 n ASN 119 Ca 0.13 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.18 2kh2 n ASN 119 Cb 0.48 -0.45 -0.11 0.00 -1.02 0.00 0.00 39.78 38.68 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 -3.23 3.28 0.19 3.10 0.52 -1.01 -4.37 118.94 117.42 2kh2 s TRP 120 Ca 0.00 -1.22 0.06 0.00 0.02 0.00 0.00 56.10 54.97 2kh2 s TRP 120 Cb 0.00 -2.63 -0.04 0.00 -1.15 0.00 0.00 33.47 29.65 2kh2 s TRP 120 CO 0.00 -0.74 0.09 0.71 0.02 0.00 0.00 176.95 177.04 2kh2 s TYR 121 N 1.49 3.01 -0.00 -1.98 1.51 0.24 -1.65 117.35 119.97 2kh2 s TYR 121 Ca 0.02 -0.09 -0.30 0.00 -1.01 0.00 0.00 57.07 55.69 2kh2 s TYR 121 Cb -0.21 -1.42 -0.07 0.00 -0.11 0.00 0.00 41.96 40.15 2kh2 s TYR 121 CO 0.05 0.53 1.67 0.42 -1.11 0.00 0.00 175.55 177.11 2kh2 s ILE 122 N -1.86 3.35 0.13 2.71 1.01 -0.74 -0.56 121.20 125.24 2kh2 s ILE 122 Ca 0.30 0.58 0.07 0.00 0.00 0.00 0.00 60.65 61.60 2kh2 s ILE 122 Cb -0.09 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 2kh2 s ILE 122 CO 0.22 -0.03 -0.15 -0.44 0.00 0.00 0.00 174.94 174.53 2kh2 s SER 123 N 3.08 2.16 0.05 3.58 0.01 0.12 -4.43 113.70 118.26 2kh2 s SER 123 Ca 0.75 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2kh2 s SER 123 Cb -0.36 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 2kh2 s SER 123 CO 0.32 -0.10 -0.04 0.42 0.41 0.00 0.00 173.24 174.24 2kh2 s THR 124 N -2.00 0.32 0.63 1.44 -4.23 -0.79 -1.78 115.64 109.24 2kh2 s THR 124 Ca 0.09 -1.41 -0.04 0.00 -1.18 0.00 0.00 61.69 59.15 2kh2 s THR 124 Cb -0.06 -0.98 0.04 0.00 1.34 0.00 0.00 72.50 72.84 2kh2 s THR 124 CO 0.04 -0.71 0.92 -0.44 -0.54 0.00 0.00 174.62 173.89 2kh2 s SER 125 N -2.23 5.16 0.29 3.99 0.01 -1.26 0.28 113.70 119.93 2kh2 s SER 125 Ca -0.03 0.42 0.11 0.00 1.31 0.00 0.00 55.95 57.77 2kh2 s SER 125 Cb -0.01 -1.23 0.42 0.00 0.21 0.00 0.00 66.02 65.40 2kh2 s SER 125 CO -0.04 -1.32 1.65 1.56 0.41 0.00 0.00 173.24 175.49 2kh2 h GLN 126 N -0.31 0.00 -7.20 12.44 1.08 -1.95 -3.45 115.11 115.72 2kh2 h GLN 126 Ca -0.44 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.23 2kh2 h GLN 126 Cb 1.29 0.00 0.15 0.00 -0.05 0.00 0.00 27.48 28.87 2kh2 h GLN 126 CO 0.59 0.57 0.37 0.00 -0.95 0.00 0.00 178.83 179.41 2kh2 s ALA 127 N -3.68 2.14 0.28 3.87 0.00 -1.26 -5.01 121.76 118.10 2kh2 s ALA 127 Ca -0.01 0.74 -0.14 0.00 0.00 0.00 0.00 51.96 52.54 2kh2 s ALA 127 Cb 0.13 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 2kh2 s ALA 127 CO 0.75 -1.82 0.68 -2.00 0.00 0.00 0.00 175.76 173.38 2kh2 s GLU 128 N -4.08 3.99 -0.71 0.00 2.12 -1.26 -4.07 118.70 114.69 2kh2 s GLU 128 Ca 0.71 0.60 0.00 0.00 0.36 0.00 0.00 54.97 56.64 2kh2 s GLU 128 Cb -0.26 -2.57 0.00 0.00 0.26 0.00 0.00 34.13 31.56 2kh2 s GLU 128 CO 0.46 0.25 0.00 -1.71 -0.54 0.00 0.00 175.26 173.72 2kh2 n ASN 129 N -0.08 -3.25 -4.86 -1.70 5.15 -0.75 -5.02 115.26 104.74 2kh2 n ASN 129 Ca 0.01 0.07 -0.35 0.00 -0.60 0.00 0.00 54.58 53.72 2kh2 n ASN 129 Cb 0.53 -2.09 -0.06 0.00 -0.53 0.00 0.00 39.78 37.63 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 -3.66 3.85 0.97 1.20 -1.94 -1.22 -4.78 119.30 113.72 2kh2 s MET 130 Ca 0.00 0.30 -0.15 0.00 -1.71 0.00 0.00 55.69 54.14 2kh2 s MET 130 Cb 0.00 -2.94 0.18 0.00 2.01 0.00 0.00 34.83 34.08 2kh2 s MET 130 CO 0.00 0.51 1.20 -2.14 -0.01 0.00 0.00 175.02 174.57 2kh2 s PRO 131 N -2.00 0.61 -0.23 2.03 0.02 -1.26 -0.51 135.00 133.66 2kh2 s PRO 131 Ca 0.36 -0.02 -0.10 0.00 0.02 0.00 0.00 61.00 61.26 2kh2 s PRO 131 Cb -0.14 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.52 2kh2 s PRO 131 CO 0.19 -2.50 0.15 0.08 -0.33 0.00 0.00 177.00 174.59 2kh2 s VAL 132 N -3.45 5.36 0.32 3.83 1.01 -1.12 -4.60 120.40 121.75 2kh2 s VAL 132 Ca 0.68 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.88 2kh2 s VAL 132 Cb -0.10 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2kh2 s VAL 132 CO 0.53 0.38 0.20 0.72 0.00 0.00 0.00 175.10 176.93 2kh2 s PHE 133 N 0.83 1.65 -0.26 5.22 -0.12 -0.73 -4.78 117.98 119.77 2kh2 s PHE 133 Ca 0.08 -1.47 -0.09 0.00 -0.05 0.00 0.00 56.93 55.39 2kh2 s PHE 133 Cb -0.13 -0.83 -0.04 0.00 -0.63 0.00 0.00 43.02 41.40 2kh2 s PHE 133 CO 0.02 -0.63 0.14 -1.17 -0.05 0.00 0.00 175.22 173.53 2kh2 s LEU 134 N -3.39 3.78 0.25 -1.99 2.96 -1.26 0.10 118.68 119.12 2kh2 s LEU 134 Ca 0.36 -0.09 0.12 0.00 -0.22 0.00 0.00 54.13 54.30 2kh2 s LEU 134 Cb 0.04 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 2kh2 s LEU 134 CO 0.20 -0.04 -0.21 -0.83 -1.32 0.00 0.00 176.35 174.15 2kh2 s GLY 135 N 1.66 1.81 0.00 7.98 0.00 0.28 -4.88 107.32 114.16 2kh2 s GLY 135 Ca 0.07 -1.78 0.05 0.00 0.00 0.00 0.00 44.72 43.05 2kh2 s GLY 135 CO 0.08 -1.85 1.02 0.61 0.00 0.00 0.00 173.10 172.96 2kh2 n GLY 136 N -0.27 2.13 2.86 0.20 0.00 -1.26 -0.59 105.19 108.25 2kh2 n GLY 136 Ca -0.08 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 0.01 5.56 -1.86 2.61 -1.04 -1.26 -4.95 114.28 113.35 2kh2 n THR 137 Ca 0.05 -5.84 -0.42 0.00 -2.04 0.00 0.00 64.05 55.79 2kh2 n THR 137 Cb 0.29 -1.91 -0.03 0.00 -1.82 0.00 0.00 70.33 66.85 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 -3.12 4.18 -0.30 -2.82 2.20 -1.26 -1.85 119.74 116.77 2kh2 s LYS 138 Ca 0.35 2.43 0.00 0.00 -0.36 0.00 0.00 55.97 58.39 2kh2 s LYS 138 Cb 0.10 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 2kh2 s LYS 138 CO 0.02 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.69 2kh2 n GLY 139 N 3.99 0.55 0.00 5.54 0.00 -1.26 -5.03 105.19 108.98 2kh2 n GLY 139 Ca 0.16 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.37 1.73 0.15 -0.02 0.00 -0.77 -5.00 105.19 98.91 2kh2 n GLY 140 Ca -0.03 -1.65 -0.18 0.00 0.00 0.00 0.00 46.02 44.16 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 0.46 -7.42 1.61 7.50 -1.96 -3.46 115.11 111.84 2kh2 h GLN 141 Ca 0.00 -0.51 -0.47 0.00 0.50 0.00 0.00 58.65 58.18 2kh2 h GLN 141 Cb 0.00 0.14 0.14 0.00 0.05 0.00 0.00 27.48 27.81 2kh2 h GLN 141 CO 0.00 1.15 0.27 -0.51 -1.50 0.00 0.00 178.83 178.25 2kh2 s ASP 142 N -6.86 3.45 -0.22 1.46 1.01 -1.26 -4.59 116.67 109.65 2kh2 s ASP 142 Ca -0.13 1.14 -0.10 0.00 0.71 0.00 0.00 52.55 54.17 2kh2 s ASP 142 Cb 0.04 -1.78 -0.05 0.00 1.01 0.00 0.00 42.92 42.14 2kh2 s ASP 142 CO 0.84 -2.61 0.14 -0.63 0.21 0.00 0.00 175.17 173.12 2kh2 s ILE 143 N -3.14 5.30 -0.14 0.77 1.01 0.14 -4.68 121.20 120.47 2kh2 s ILE 143 Ca 0.64 0.16 0.08 0.00 0.00 0.00 0.00 60.65 61.52 2kh2 s ILE 143 Cb -0.16 -3.45 -0.11 0.00 0.01 0.00 0.00 42.46 38.75 2kh2 s ILE 143 CO 0.55 0.38 0.23 0.35 0.00 0.00 0.00 174.94 176.45 2kh2 n THR 144 N 4.04 0.00 -3.64 2.92 -2.24 -1.26 -1.88 114.28 112.21 2kh2 n THR 144 Ca -0.15 -0.23 -0.38 0.00 -2.27 0.00 0.00 64.05 61.02 2kh2 n THR 144 Cb 0.52 0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 69.27 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 -2.46 6.63 0.25 3.42 -4.77 -1.26 -4.37 116.67 114.11 2kh2 s ASP 145 Ca -0.01 0.75 0.02 0.00 -3.30 0.00 0.00 52.55 50.02 2kh2 s ASP 145 Cb 0.05 -2.18 -0.05 0.00 -1.09 0.00 0.00 42.92 39.65 2kh2 s ASP 145 CO 0.32 0.34 0.05 -0.36 0.70 0.00 0.00 175.17 176.22 2kh2 s PHE 146 N -0.96 1.59 -0.07 2.11 0.40 0.63 -3.61 117.98 118.07 2kh2 s PHE 146 Ca 0.20 -1.05 0.03 0.00 -0.60 0.00 0.00 56.93 55.51 2kh2 s PHE 146 Cb -0.15 -0.95 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 2kh2 s PHE 146 CO 0.09 -0.18 -0.17 0.95 0.70 0.00 0.00 175.22 176.61 2kh2 s THR 147 N -3.57 2.77 -0.51 0.64 -4.23 0.75 -2.12 115.64 109.37 2kh2 s THR 147 Ca 0.33 -0.81 -0.17 0.00 -1.18 0.00 0.00 61.69 59.87 2kh2 s THR 147 Cb 0.07 -2.09 0.08 0.00 1.34 0.00 0.00 72.50 71.91 2kh2 s THR 147 CO 0.12 0.57 0.53 -0.32 -0.54 0.00 0.00 174.62 174.98 2kh2 s MET 148 N -0.30 3.03 -0.42 3.99 1.75 -1.26 -2.81 119.30 123.28 2kh2 s MET 148 Ca 0.02 -1.27 -0.10 0.00 -1.25 0.00 0.00 55.69 53.09 2kh2 s MET 148 Cb -0.13 -4.17 0.07 0.00 2.84 0.00 0.00 34.83 33.44 2kh2 s MET 148 CO 0.03 -1.22 0.27 -0.65 -0.65 0.00 0.00 175.02 172.79 2kh2 s GLN 149 N 2.11 2.67 0.04 4.11 1.11 -0.11 -4.95 119.66 124.65 2kh2 s GLN 149 Ca 0.08 -1.40 -0.30 0.00 0.01 0.00 0.00 55.36 53.75 2kh2 s GLN 149 Cb -0.24 -3.81 -0.08 0.00 -1.01 0.00 0.00 33.01 27.88 2kh2 s GLN 149 CO 0.08 -0.93 1.67 -0.06 0.01 0.00 0.00 175.29 176.06 2kh2 s PHE 150 N 1.46 2.27 0.33 0.91 0.40 -1.26 0.21 117.98 122.29 2kh2 s PHE 150 Ca 0.03 0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.63 2kh2 s PHE 150 Cb -0.23 -3.97 -0.03 0.00 0.51 0.00 0.00 43.02 39.30 2kh2 s PHE 150 CO 0.03 -3.97 0.50 0.14 0.70 0.00 0.00 175.22 172.63 2kh2 s VAL 151 N 3.02 4.99 -1.19 -0.44 -7.23 -1.24 -4.90 120.40 113.40 2kh2 s VAL 151 Ca 0.75 -0.64 -0.22 0.00 -1.81 0.00 0.00 61.98 60.06 2kh2 s VAL 151 Cb -0.39 -3.80 -0.05 0.00 0.56 0.00 0.00 36.38 32.70 2kh2 s VAL 151 CO 0.32 -0.46 1.89 -0.44 -0.31 0.00 0.00 175.10 176.11 2kh2 s SER 152 N -4.05 5.41 0.00 4.85 0.01 -1.26 -4.86 113.70 113.80 2kh2 s SER 152 Ca 0.39 -1.77 0.00 0.00 1.31 0.00 0.00 55.95 55.89 2kh2 s SER 152 Cb -0.09 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2kh2 s SER 152 CO 0.34 -2.67 0.00 -1.20 0.41 0.00 0.00 173.24 170.12