#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 -0.41 -4.90 0.00 0.11 -2.02 -3.41 132.00 121.37 2kh2 h PRO 2 Ca 0.00 0.03 -0.67 0.00 0.11 0.00 0.00 66.00 65.47 2kh2 h PRO 2 Cb 0.00 0.09 -0.32 0.00 0.11 0.00 0.00 31.00 30.88 2kh2 h PRO 2 CO 0.00 -0.15 -0.75 0.54 -0.21 0.00 0.00 178.00 177.44 2kh2 s VAL 3 N -5.23 2.85 0.27 3.15 0.11 -1.26 -4.86 120.40 115.43 2kh2 s VAL 3 Ca -0.15 -1.08 -0.20 0.00 -2.93 0.00 0.00 61.98 57.63 2kh2 s VAL 3 Cb 0.03 -2.47 -0.09 0.00 -1.53 0.00 0.00 36.38 32.33 2kh2 s VAL 3 CO 0.59 0.17 0.77 -0.13 -3.33 0.00 0.00 175.10 173.17 2kh2 s ARG 4 N 1.31 4.25 -0.03 1.54 0.52 -1.26 -4.90 118.95 120.38 2kh2 s ARG 4 Ca -0.01 0.91 -0.15 0.00 -0.52 0.00 0.00 55.73 55.96 2kh2 s ARG 4 Cb -0.17 -2.74 0.02 0.00 0.52 0.00 0.00 34.95 32.59 2kh2 s ARG 4 CO -0.04 0.31 0.32 -1.12 0.02 0.00 0.00 175.30 174.78 2kh2 s SER 5 N -1.80 -0.21 -0.04 0.23 0.01 -1.26 -0.68 113.70 109.95 2kh2 s SER 5 Ca 0.47 0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.91 2kh2 s SER 5 Cb -0.15 0.35 0.01 0.00 0.21 0.00 0.00 66.02 66.44 2kh2 s SER 5 CO 0.20 -0.42 -0.11 -0.76 0.41 0.00 0.00 173.24 172.56 2kh2 s LEU 6 N -1.18 1.74 0.03 2.44 1.02 -0.78 -4.90 118.68 117.05 2kh2 s LEU 6 Ca -0.12 -0.25 -0.26 0.00 0.02 0.00 0.00 54.13 53.52 2kh2 s LEU 6 Cb -0.05 -0.71 -0.05 0.00 0.02 0.00 0.00 46.19 45.41 2kh2 s LEU 6 CO 0.04 0.07 0.80 0.20 0.02 0.00 0.00 176.35 177.48 2kh2 s ASN 7 N 0.34 7.23 0.13 2.29 0.01 -1.26 -0.60 114.94 123.08 2kh2 s ASN 7 Ca -0.07 1.47 -0.18 0.00 -0.71 0.00 0.00 52.86 53.37 2kh2 s ASN 7 Cb -0.12 -2.48 0.05 0.00 0.41 0.00 0.00 41.25 39.10 2kh2 s ASN 7 CO 0.02 -0.05 0.46 0.00 -1.51 0.00 0.00 177.10 176.01 2kh2 s THR 9 N -3.73 3.96 -0.08 0.00 2.01 0.00 -0.20 115.64 117.61 2kh2 s THR 9 Ca 0.02 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.18 2kh2 s THR 9 Cb 0.01 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 2kh2 s THR 9 CO -0.12 0.25 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.22 2kh2 s LEU 10 N -1.92 3.08 -0.00 4.42 1.43 -1.26 -2.30 118.68 122.13 2kh2 s LEU 10 Ca 0.22 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 2kh2 s LEU 10 Cb -0.11 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 2kh2 s LEU 10 CO 0.14 0.33 -0.04 -0.13 0.23 0.00 0.00 176.35 176.88 2kh2 s ARG 11 N -0.64 0.32 0.63 1.70 1.81 -1.26 -3.57 118.95 117.95 2kh2 s ARG 11 Ca 0.10 -0.16 -0.10 0.00 -1.72 0.00 0.00 55.73 53.84 2kh2 s ARG 11 Cb -0.11 -0.30 0.14 0.00 -0.45 0.00 0.00 34.95 34.23 2kh2 s ARG 11 CO 0.02 0.08 0.86 -0.40 -0.68 0.00 0.00 175.30 175.18 2kh2 n ASP 12 N 2.92 0.14 0.10 0.23 5.68 -1.10 0.61 116.55 125.13 2kh2 n ASP 12 Ca -0.13 -1.36 0.09 0.00 -0.50 0.00 0.00 54.79 52.89 2kh2 n ASP 12 Cb 0.58 -0.65 0.42 0.00 -1.14 0.00 0.00 41.12 40.33 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 -3.51 0.42 -0.90 -1.12 3.41 -1.22 -0.88 113.62 109.81 2kh2 n SER 13 Ca 0.11 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.48 2kh2 n SER 13 Cb 0.38 -0.71 0.18 0.00 -0.26 0.00 0.00 64.21 63.80 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 -2.00 2.24 -2.80 4.33 1.13 -1.26 -4.95 117.38 114.07 2kh2 n GLN 14 Ca 0.01 -1.81 -0.14 0.00 -1.94 0.00 0.00 57.00 53.12 2kh2 n GLN 14 Cb 0.14 -1.47 0.03 0.00 0.11 0.00 0.00 30.24 29.05 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 1.17 -3.39 -3.00 -1.09 1.13 -0.06 -4.98 117.38 107.16 2kh2 n GLN 15 Ca 0.15 0.58 -0.29 0.00 -1.94 0.00 0.00 57.00 55.51 2kh2 n GLN 15 Cb 0.56 -4.76 -0.02 0.00 0.11 0.00 0.00 30.24 26.12 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 -5.34 3.66 0.03 -1.09 1.02 -1.26 -4.43 119.74 112.32 2kh2 s LYS 16 Ca 0.22 0.21 0.05 0.00 0.02 0.00 0.00 55.97 56.47 2kh2 s LYS 16 Cb -0.10 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 2kh2 s LYS 16 CO 0.27 0.02 -0.11 -1.12 -0.92 0.00 0.00 175.35 173.48 2kh2 s SER 17 N -3.42 4.29 -0.19 2.83 0.01 0.16 -2.69 113.70 114.68 2kh2 s SER 17 Ca 0.47 -0.28 -0.24 0.00 1.31 0.00 0.00 55.95 57.22 2kh2 s SER 17 Cb -0.10 -0.87 -0.02 0.00 0.21 0.00 0.00 66.02 65.24 2kh2 s SER 17 CO 0.34 0.26 0.77 -0.76 0.41 0.00 0.00 173.24 174.26 2kh2 s LEU 18 N -1.52 4.15 0.11 2.44 1.43 -1.23 -1.37 118.68 122.68 2kh2 s LEU 18 Ca 0.17 1.05 0.08 0.00 -1.03 0.00 0.00 54.13 54.39 2kh2 s LEU 18 Cb -0.11 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 2kh2 s LEU 18 CO 0.07 -0.38 -0.19 0.68 0.23 0.00 0.00 176.35 176.76 2kh2 s VAL 19 N 2.20 1.62 -0.35 -1.59 -7.23 0.10 -2.63 120.40 112.51 2kh2 s VAL 19 Ca 0.35 -1.60 -0.28 0.00 -1.81 0.00 0.00 61.98 58.64 2kh2 s VAL 19 Cb -0.16 -1.54 0.02 0.00 0.56 0.00 0.00 36.38 35.25 2kh2 s VAL 19 CO 0.11 -0.16 1.03 -0.04 -0.31 0.00 0.00 175.10 175.72 2kh2 s MET 20 N -2.12 3.96 0.00 4.82 -1.94 -1.26 -0.10 119.30 122.65 2kh2 s MET 20 Ca 0.07 0.85 0.00 0.00 -1.71 0.00 0.00 55.69 54.90 2kh2 s MET 20 Cb -0.09 -3.78 0.00 0.00 2.01 0.00 0.00 34.83 32.98 2kh2 s MET 20 CO 0.04 -0.96 0.02 0.45 -0.01 0.00 0.00 175.02 174.56 2kh2 n SER 21 N 6.93 0.00 -0.25 3.03 2.88 0.74 -4.93 113.62 122.02 2kh2 n SER 21 Ca 0.10 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2kh2 n SER 21 Cb 0.48 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 2kh2 n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kh2 n GLY 22 N 2.37 1.80 0.19 0.46 0.00 -1.19 -4.94 105.19 103.88 2kh2 n GLY 22 Ca 0.00 -2.03 0.06 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.16 1.61 0.13 -2.03 -3.29 132.00 128.25 2kh2 h PRO 23 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.93 2kh2 h PRO 23 Cb 0.00 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 30.79 2kh2 h PRO 23 CO 0.00 0.35 -0.97 0.66 -0.23 0.00 0.00 178.00 177.81 2kh2 n TYR 24 N -3.61 0.52 -4.33 1.56 4.01 -1.26 -5.00 117.16 109.05 2kh2 n TYR 24 Ca -0.01 -1.19 -0.19 0.00 -0.16 0.00 0.00 57.90 56.36 2kh2 n TYR 24 Cb 0.47 -0.20 -0.15 0.00 -0.31 0.00 0.00 39.34 39.15 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 -1.70 0.75 -0.00 -0.72 2.12 -1.24 -4.08 118.70 113.82 2kh2 s GLU 25 Ca 0.34 -0.28 0.08 0.00 0.36 0.00 0.00 54.97 55.46 2kh2 s GLU 25 Cb 0.37 -0.72 -0.02 0.00 0.26 0.00 0.00 34.13 34.02 2kh2 s GLU 25 CO -0.11 0.15 -0.24 -0.51 -0.54 0.00 0.00 175.26 174.01 2kh2 s LEU 26 N -0.03 2.20 0.14 2.70 1.43 -1.26 -0.19 118.68 123.67 2kh2 s LEU 26 Ca 0.01 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 2kh2 s LEU 26 Cb -0.05 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 2kh2 s LEU 26 CO -0.00 0.30 -0.17 -0.54 0.23 0.00 0.00 176.35 176.17 2kh2 s LYS 27 N -0.86 1.15 -0.18 1.70 1.02 0.86 -1.09 119.74 122.35 2kh2 s LYS 27 Ca 0.11 -1.31 0.01 0.00 0.02 0.00 0.00 55.97 54.80 2kh2 s LYS 27 Cb -0.10 -1.17 0.02 0.00 -0.52 0.00 0.00 37.83 36.06 2kh2 s LYS 27 CO 0.00 0.24 -0.20 0.00 -0.92 0.00 0.00 175.35 174.47 2kh2 s ALA 28 N -1.96 2.32 0.03 5.17 0.00 0.12 0.03 121.76 127.46 2kh2 s ALA 28 Ca 0.12 -1.21 -0.16 0.00 0.00 0.00 0.00 51.96 50.71 2kh2 s ALA 28 Cb -0.06 -1.17 0.03 0.00 0.00 0.00 0.00 23.12 21.92 2kh2 s ALA 28 CO 0.05 -0.33 0.34 -0.48 0.00 0.00 0.00 175.76 175.34 2kh2 s LEU 29 N 1.26 0.71 0.34 0.00 0.05 -0.47 -3.00 118.68 117.57 2kh2 s LEU 29 Ca 0.04 -0.05 -0.29 0.00 0.05 0.00 0.00 54.13 53.89 2kh2 s LEU 29 Cb -0.13 1.46 -0.11 0.00 -2.05 0.00 0.00 46.19 45.36 2kh2 s LEU 29 CO -0.12 -0.58 1.54 1.41 -0.55 0.00 0.00 176.35 178.04 2kh2 n HIS 30 N 0.75 2.96 -3.70 3.48 8.25 -1.26 0.36 115.22 126.05 2kh2 n HIS 30 Ca -0.19 0.36 -0.13 0.00 -0.26 0.00 0.00 57.72 57.49 2kh2 n HIS 30 Cb 0.59 -2.56 -0.14 0.00 1.12 0.00 0.00 29.99 28.99 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 -1.43 0.17 -0.28 2.41 2.96 -1.26 -4.83 118.68 116.42 2kh2 s LEU 31 Ca 0.58 0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 54.88 2kh2 s LEU 31 Cb -0.48 0.61 0.12 0.00 0.50 0.00 0.00 46.19 46.94 2kh2 s LEU 31 CO 0.58 -0.20 0.60 -1.58 -1.32 0.00 0.00 176.35 174.43 2kh2 s GLN 32 N 1.74 0.53 0.00 1.98 0.74 -1.26 -4.90 119.66 118.48 2kh2 s GLN 32 Ca -0.04 1.37 0.00 0.00 0.05 0.00 0.00 55.36 56.73 2kh2 s GLN 32 Cb -0.11 0.76 0.00 0.00 1.10 0.00 0.00 33.01 34.76 2kh2 s GLN 32 CO -0.08 -0.21 0.00 0.41 -0.55 0.00 0.00 175.29 174.86 2kh2 n GLY 33 N 5.44 0.67 0.00 2.59 0.00 -1.26 -4.73 105.19 107.90 2kh2 n GLY 33 Ca -0.11 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.02 2kh2 n GLY 33 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kh2 n GLN 34 N 0.00 0.78 0.00 1.61 -0.06 -1.26 -1.89 117.38 116.56 2kh2 n GLN 34 Ca 0.00 0.00 0.10 0.00 -2.00 0.00 0.00 57.00 55.10 2kh2 n GLN 34 Cb 0.00 -1.47 -0.01 0.00 -4.06 0.00 0.00 30.24 24.71 2kh2 n GLN 34 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 2kh2 n ASP 35 N -0.97 1.95 0.27 1.69 2.03 -1.26 -4.25 116.55 116.02 2kh2 n ASP 35 Ca 0.18 -1.47 0.14 0.00 0.52 0.00 0.00 54.79 54.15 2kh2 n ASP 35 Cb 0.08 0.48 0.77 0.00 -0.72 0.00 0.00 41.12 41.73 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 2kh2 h MET 36 N 2.30 0.00 0.00 -0.67 4.05 -1.69 -2.60 114.93 116.32 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 0.71 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.51 2kh2 h MET 36 CO 0.00 0.09 0.00 0.39 0.23 0.00 0.00 176.91 177.62 2kh2 n GLU 37 N -3.52 0.00 -0.00 0.39 -0.58 -1.26 -1.64 120.64 114.03 2kh2 n GLU 37 Ca -0.02 0.40 0.08 0.00 -0.42 0.00 0.00 57.16 57.21 2kh2 n GLU 37 Cb 0.23 -1.51 0.48 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 -1.52 1.04 -2.09 3.49 6.02 -0.98 -4.86 117.38 118.47 2kh2 n GLN 38 Ca 0.01 -0.05 -0.37 0.00 -0.01 0.00 0.00 57.00 56.58 2kh2 n GLN 38 Cb 0.07 -1.26 0.01 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.99 3.53 -0.06 -1.09 -2.07 -0.65 -4.69 119.66 112.64 2kh2 s GLN 39 Ca 0.25 1.93 -0.16 0.00 -1.82 0.00 0.00 55.36 55.56 2kh2 s GLN 39 Cb 0.12 -2.34 -0.05 0.00 -1.09 0.00 0.00 33.01 29.64 2kh2 s GLN 39 CO 0.19 -0.79 0.43 0.08 -1.32 0.00 0.00 175.29 173.89 2kh2 s VAL 40 N -1.46 5.10 -0.26 3.63 1.01 -1.08 -5.04 120.40 122.30 2kh2 s VAL 40 Ca 0.67 0.88 -0.11 0.00 0.00 0.00 0.00 61.98 63.41 2kh2 s VAL 40 Cb -0.33 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 2kh2 s VAL 40 CO 0.39 0.46 0.19 -0.69 0.00 0.00 0.00 175.10 175.45 2kh2 s VAL 41 N -0.26 5.32 -0.14 2.92 1.01 -1.26 -4.59 120.40 123.40 2kh2 s VAL 41 Ca 0.24 0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.37 2kh2 s VAL 41 Cb -0.16 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2kh2 s VAL 41 CO 0.12 0.29 0.08 -0.36 0.00 0.00 0.00 175.10 175.23 2kh2 s PHE 42 N 1.44 3.38 -0.25 5.22 0.08 0.72 -1.16 117.98 127.40 2kh2 s PHE 42 Ca 0.08 0.30 -0.19 0.00 0.12 0.00 0.00 56.93 57.24 2kh2 s PHE 42 Cb -0.15 -1.97 -0.02 0.00 -0.57 0.00 0.00 43.02 40.31 2kh2 s PHE 42 CO 0.08 0.46 0.56 -1.12 -0.10 0.00 0.00 175.22 175.09 2kh2 s SER 43 N -0.43 6.51 -0.60 1.36 0.01 0.85 -0.60 113.70 120.80 2kh2 s SER 43 Ca 0.10 0.62 -0.16 0.00 1.31 0.00 0.00 55.95 57.82 2kh2 s SER 43 Cb -0.12 -2.30 0.14 0.00 0.21 0.00 0.00 66.02 63.95 2kh2 s SER 43 CO 0.02 -0.30 0.58 -0.32 0.41 0.00 0.00 173.24 173.62 2kh2 s MET 44 N 2.27 3.11 0.12 12.44 1.75 0.24 -2.77 119.30 136.46 2kh2 s MET 44 Ca 0.23 -1.80 -0.20 0.00 -1.25 0.00 0.00 55.69 52.68 2kh2 s MET 44 Cb -0.16 -4.33 -0.07 0.00 2.84 0.00 0.00 34.83 33.12 2kh2 s MET 44 CO 0.09 -1.35 0.63 -1.12 -0.65 0.00 0.00 175.02 172.61 2kh2 s SER 45 N 3.35 7.09 -0.69 1.11 0.01 -1.07 -1.86 113.70 121.65 2kh2 s SER 45 Ca 0.07 1.33 -0.24 0.00 1.31 0.00 0.00 55.95 58.42 2kh2 s SER 45 Cb -0.26 -2.38 0.06 0.00 0.21 0.00 0.00 66.02 63.65 2kh2 s SER 45 CO 0.01 0.21 1.08 -0.36 0.41 0.00 0.00 173.24 174.59 2kh2 s PHE 46 N -1.22 2.55 0.07 2.43 0.08 0.15 -0.83 117.98 121.21 2kh2 s PHE 46 Ca 0.33 -0.40 -0.00 0.00 0.12 0.00 0.00 56.93 56.98 2kh2 s PHE 46 Cb -0.19 -4.41 0.01 0.00 -0.57 0.00 0.00 43.02 37.86 2kh2 s PHE 46 CO 0.21 -1.79 0.10 1.33 -0.10 0.00 0.00 175.22 174.96 2kh2 n VAL 47 N 6.08 0.00 -5.23 -0.44 0.24 -0.93 -4.61 118.33 113.43 2kh2 n VAL 47 Ca -0.01 -0.14 -0.31 0.00 -2.04 0.00 0.00 64.34 61.84 2kh2 n VAL 47 Cb 0.47 -1.42 -0.16 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 -2.72 2.31 0.00 7.34 2.00 -1.11 -4.81 119.66 122.67 2kh2 s GLN 48 Ca 0.06 -0.88 0.00 0.00 -2.00 0.00 0.00 55.36 52.54 2kh2 s GLN 48 Cb -0.00 -2.13 0.00 0.00 0.80 0.00 0.00 33.01 31.67 2kh2 s GLN 48 CO 0.04 0.52 0.00 0.41 -0.50 0.00 0.00 175.29 175.76 2kh2 n GLY 49 N 2.57 -0.52 3.54 2.59 0.00 -1.26 -4.85 105.19 107.27 2kh2 n GLY 49 Ca -0.17 0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 3.29 0.04 1.61 2.56 -1.26 -4.99 118.70 119.95 2kh2 s GLU 50 Ca 0.00 -0.53 0.06 0.00 0.00 0.00 0.00 54.97 54.50 2kh2 s GLU 50 Cb 0.00 -4.48 -0.03 0.00 2.00 0.00 0.00 34.13 31.62 2kh2 s GLU 50 CO 0.00 -2.13 -0.12 -2.00 -0.56 0.00 0.00 175.26 170.45 2kh2 s GLU 51 N 5.35 2.26 0.00 4.30 2.12 -1.26 -3.59 118.70 127.88 2kh2 s GLU 51 Ca 0.36 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.80 2kh2 s GLU 51 Cb -0.07 -2.33 0.00 0.00 0.26 0.00 0.00 34.13 31.99 2kh2 s GLU 51 CO 0.08 0.55 0.00 -1.13 -0.54 0.00 0.00 175.26 174.23 2kh2 n SER 52 N 1.35 0.00 0.06 -1.70 3.41 0.02 -4.96 113.62 111.80 2kh2 n SER 52 Ca -0.15 -0.19 0.12 0.00 -0.26 0.00 0.00 58.87 58.39 2kh2 n SER 52 Cb 0.52 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.54 2kh2 n SER 52 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2kh2 n ASN 53 N -0.17 0.68 -0.05 4.04 5.03 -1.26 -4.29 115.26 119.23 2kh2 n ASN 53 Ca 0.00 0.05 -0.07 0.00 0.87 0.00 0.00 54.58 55.44 2kh2 n ASN 53 Cb 0.00 0.53 -0.07 0.00 -1.02 0.00 0.00 39.78 39.22 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 2kh2 n ASP 54 N -2.21 2.83 -4.64 6.41 5.75 -1.26 -4.96 116.55 118.47 2kh2 n ASP 54 Ca 0.02 -0.03 -0.36 0.00 -0.01 0.00 0.00 54.79 54.40 2kh2 n ASP 54 Cb 0.47 0.28 -0.10 0.00 -1.03 0.00 0.00 41.12 40.74 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2kh2 s LYS 55 N -2.24 4.03 -0.19 0.11 1.02 -1.26 -3.05 119.74 118.16 2kh2 s LYS 55 Ca -0.11 -0.29 0.01 0.00 0.02 0.00 0.00 55.97 55.61 2kh2 s LYS 55 Cb 0.04 -3.52 0.03 0.00 -0.52 0.00 0.00 37.83 33.86 2kh2 s LYS 55 CO 0.34 0.04 -0.14 0.42 -0.92 0.00 0.00 175.35 175.09 2kh2 s ILE 56 N 1.10 1.85 -0.40 2.17 -1.09 -0.50 -0.80 121.20 123.53 2kh2 s ILE 56 Ca 0.07 -1.01 -0.29 0.00 -2.23 0.00 0.00 60.65 57.19 2kh2 s ILE 56 Cb -0.14 -1.81 0.00 0.00 -1.58 0.00 0.00 42.46 38.94 2kh2 s ILE 56 CO 0.05 0.32 1.49 -2.16 -1.23 0.00 0.00 174.94 173.40 2kh2 s PRO 57 N 1.33 3.52 0.16 2.79 0.04 -1.24 -0.64 135.00 140.97 2kh2 s PRO 57 Ca 0.01 1.02 0.02 0.00 0.04 0.00 0.00 61.00 62.09 2kh2 s PRO 57 Cb -0.15 -4.06 -0.05 0.00 0.04 0.00 0.00 34.50 30.28 2kh2 s PRO 57 CO -0.10 -1.63 -0.03 0.14 0.04 0.00 0.00 177.00 175.42 2kh2 s VAL 58 N 5.73 0.79 0.12 -0.36 -7.23 -0.22 -2.20 120.40 117.02 2kh2 s VAL 58 Ca 0.65 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.88 2kh2 s VAL 58 Cb -0.15 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 2kh2 s VAL 58 CO 0.33 -0.58 0.03 0.00 -0.31 0.00 0.00 175.10 174.57 2kh2 s ALA 59 N -3.58 3.34 -0.26 1.32 0.00 -0.01 -0.57 121.76 122.00 2kh2 s ALA 59 Ca 0.21 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.99 2kh2 s ALA 59 Cb 0.05 -1.20 0.07 0.00 0.00 0.00 0.00 23.12 22.05 2kh2 s ALA 59 CO 0.02 0.62 -0.02 -0.51 0.00 0.00 0.00 175.76 175.87 2kh2 s LEU 60 N -2.60 2.77 0.20 0.00 1.43 -1.26 -2.59 118.68 116.63 2kh2 s LEU 60 Ca 0.27 -1.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.05 2kh2 s LEU 60 Cb -0.11 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.89 2kh2 s LEU 60 CO 0.20 -0.28 -0.01 -0.83 0.23 0.00 0.00 176.35 175.66 2kh2 s GLY 61 N 1.38 1.38 0.18 -3.19 0.00 -1.11 -0.74 107.32 105.21 2kh2 s GLY 61 Ca -0.01 -1.67 -0.30 0.00 0.00 0.00 0.00 44.72 42.73 2kh2 s GLY 61 CO -0.09 -1.60 0.99 1.08 0.00 0.00 0.00 173.10 173.47 2kh2 s LEU 62 N -3.24 4.55 0.34 0.66 1.02 0.08 -0.10 118.68 121.99 2kh2 s LEU 62 Ca 0.26 1.93 -0.29 0.00 0.02 0.00 0.00 54.13 56.05 2kh2 s LEU 62 Cb 0.06 -3.60 -0.11 0.00 0.02 0.00 0.00 46.19 42.55 2kh2 s LEU 62 CO 0.06 -0.02 1.55 1.17 0.02 0.00 0.00 176.35 179.13 2kh2 n LYS 63 N 2.18 2.72 -2.38 1.70 4.81 -0.31 -2.35 118.16 124.53 2kh2 n LYS 63 Ca 0.01 0.96 -0.10 0.00 -0.87 0.00 0.00 58.31 58.31 2kh2 n LYS 63 Cb 0.48 -2.72 -0.01 0.00 0.02 0.00 0.00 35.03 32.80 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 1.20 -2.29 -3.98 1.64 0.28 -1.26 -4.93 120.64 111.29 2kh2 n GLU 64 Ca 0.04 0.50 -0.10 0.00 -0.16 0.00 0.00 57.16 57.44 2kh2 n GLU 64 Cb 0.38 -5.05 -0.12 0.00 1.43 0.00 0.00 31.44 28.08 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 -4.89 0.30 -0.29 3.44 -0.14 -0.99 -5.04 119.74 112.14 2kh2 s LYS 65 Ca 0.00 -0.53 0.01 0.00 -1.36 0.00 0.00 55.97 54.09 2kh2 s LYS 65 Cb 0.00 0.01 0.33 0.00 -1.68 0.00 0.00 37.83 36.49 2kh2 s LYS 65 CO 0.00 -0.02 1.69 0.27 -0.76 0.00 0.00 175.35 176.53 2kh2 n ASN 66 N 1.85 4.52 -4.33 2.83 6.94 -1.26 -4.47 115.26 121.33 2kh2 n ASN 66 Ca -0.22 -3.00 -0.34 0.00 -0.02 0.00 0.00 54.58 51.00 2kh2 n ASN 66 Cb 0.56 -0.81 -0.14 0.00 -2.36 0.00 0.00 39.78 37.03 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 -1.95 2.87 0.14 -4.53 1.43 -1.26 -1.06 118.68 114.31 2kh2 s LEU 67 Ca 0.34 -0.36 0.08 0.00 -1.03 0.00 0.00 54.13 53.15 2kh2 s LEU 67 Cb 0.28 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 2kh2 s LEU 67 CO 0.04 0.03 -0.18 -0.31 0.23 0.00 0.00 176.35 176.16 2kh2 s TYR 68 N 1.16 1.70 -0.08 0.29 1.51 -0.56 -0.74 117.35 120.62 2kh2 s TYR 68 Ca 0.02 -0.47 -0.30 0.00 -1.01 0.00 0.00 57.07 55.31 2kh2 s TYR 68 Cb -0.14 -0.88 -0.03 0.00 -0.11 0.00 0.00 41.96 40.79 2kh2 s TYR 68 CO -0.01 0.25 1.32 -0.51 -1.11 0.00 0.00 175.55 175.48 2kh2 s LEU 69 N -2.40 4.26 -0.00 -1.29 1.43 0.08 -0.49 118.68 120.28 2kh2 s LEU 69 Ca 0.11 1.89 0.07 0.00 -1.03 0.00 0.00 54.13 55.17 2kh2 s LEU 69 Cb -0.07 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 2kh2 s LEU 69 CO 0.05 -0.71 -0.21 -0.55 0.23 0.00 0.00 176.35 175.16 2kh2 s SER 70 N 1.94 2.48 -0.34 2.29 0.15 0.83 -4.48 113.70 116.57 2kh2 s SER 70 Ca 0.59 -0.41 -0.09 0.00 0.70 0.00 0.00 55.95 56.74 2kh2 s SER 70 Cb -0.26 -0.26 0.02 0.00 -1.71 0.00 0.00 66.02 63.81 2kh2 s SER 70 CO 0.21 0.24 0.15 0.00 1.20 0.00 0.00 173.24 175.04 2kh2 s VAL 72 N 1.52 1.26 -0.30 0.00 -7.23 -0.85 -4.74 120.40 110.05 2kh2 s VAL 72 Ca 0.02 -2.08 -0.14 0.00 -1.81 0.00 0.00 61.98 57.97 2kh2 s VAL 72 Cb -0.18 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 2kh2 s VAL 72 CO 0.05 -0.45 0.32 -0.76 -0.31 0.00 0.00 175.10 173.94 2kh2 s LEU 73 N -3.30 4.21 -0.10 1.32 1.43 -1.26 0.51 118.68 121.49 2kh2 s LEU 73 Ca 0.25 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 2kh2 s LEU 73 Cb 0.04 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.97 2kh2 s LEU 73 CO 0.07 -0.21 -0.13 -0.54 0.23 0.00 0.00 176.35 175.77 2kh2 s LYS 74 N 1.95 1.92 -1.29 1.70 1.02 0.26 -4.75 119.74 120.55 2kh2 s LYS 74 Ca 0.11 -0.45 -0.04 0.00 0.02 0.00 0.00 55.97 55.61 2kh2 s LYS 74 Cb -0.16 -1.69 0.01 0.00 -0.52 0.00 0.00 37.83 35.47 2kh2 s LYS 74 CO 0.11 -0.09 1.03 -3.47 -0.92 0.00 0.00 175.35 172.01 2kh2 n ASP 75 N 4.26 -3.59 -2.00 2.83 4.64 -1.26 -1.72 116.55 119.71 2kh2 n ASP 75 Ca -0.19 -0.63 -0.18 0.00 -1.38 0.00 0.00 54.79 52.41 2kh2 n ASP 75 Cb 0.51 -4.88 -0.04 0.00 -1.04 0.00 0.00 41.12 35.67 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 -3.06 -5.12 -3.79 1.67 9.92 -1.26 -4.97 116.55 109.93 2kh2 n ASP 76 Ca -0.17 0.24 -0.14 0.00 -0.53 0.00 0.00 54.79 54.19 2kh2 n ASP 76 Cb 0.62 -4.42 -0.15 0.00 -0.64 0.00 0.00 41.12 36.53 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 -4.36 -0.02 -0.07 -1.24 2.47 -0.70 -5.11 119.74 110.72 2kh2 s LYS 77 Ca 0.00 0.17 -0.29 0.00 -1.56 0.00 0.00 55.97 54.29 2kh2 s LYS 77 Cb 0.00 -0.19 -0.07 0.00 -1.46 0.00 0.00 37.83 36.11 2kh2 s LYS 77 CO 0.00 -0.13 1.97 -2.14 0.16 0.00 0.00 175.35 175.20 2kh2 s PRO 78 N 0.86 3.85 -0.11 4.03 0.02 -1.26 -0.57 135.00 141.81 2kh2 s PRO 78 Ca -0.07 2.32 0.03 0.00 0.02 0.00 0.00 61.00 63.29 2kh2 s PRO 78 Cb -0.10 -4.19 0.01 0.00 0.02 0.00 0.00 34.50 30.24 2kh2 s PRO 78 CO -0.03 -1.28 -0.19 0.99 -0.33 0.00 0.00 177.00 176.16 2kh2 s THR 79 N 5.50 1.77 0.31 0.99 2.01 0.18 -4.65 115.64 121.75 2kh2 s THR 79 Ca 0.88 -0.82 -0.27 0.00 0.31 0.00 0.00 61.69 61.79 2kh2 s THR 79 Cb -0.37 -1.57 -0.10 0.00 0.01 0.00 0.00 72.50 70.47 2kh2 s THR 79 CO 0.37 0.50 0.95 -0.22 -0.69 0.00 0.00 174.62 175.52 2kh2 s LEU 80 N 0.72 4.38 0.37 4.42 2.96 -1.26 -2.00 118.68 128.26 2kh2 s LEU 80 Ca -0.11 1.85 -0.15 0.00 -0.22 0.00 0.00 54.13 55.50 2kh2 s LEU 80 Cb -0.16 -3.97 0.05 0.00 0.50 0.00 0.00 46.19 42.61 2kh2 s LEU 80 CO 0.02 -0.04 0.76 0.00 -1.32 0.00 0.00 176.35 175.77 2kh2 s GLN 81 N -1.95 2.17 -0.19 1.98 -2.07 -0.14 -4.88 119.66 114.58 2kh2 s GLN 81 Ca 0.49 -1.42 -0.06 0.00 -1.82 0.00 0.00 55.36 52.56 2kh2 s GLN 81 Cb -0.20 0.61 -0.03 0.00 -1.09 0.00 0.00 33.01 32.31 2kh2 s GLN 81 CO 0.25 -1.01 0.02 -0.51 -1.32 0.00 0.00 175.29 172.72 2kh2 s LEU 82 N -3.07 3.48 -0.02 2.60 2.01 -1.26 -0.12 118.68 122.31 2kh2 s LEU 82 Ca 0.16 -0.08 0.04 0.00 0.01 0.00 0.00 54.13 54.26 2kh2 s LEU 82 Cb -0.05 -1.88 -0.03 0.00 0.01 0.00 0.00 46.19 44.24 2kh2 s LEU 82 CO 0.12 0.11 -0.13 -1.61 1.01 0.00 0.00 176.35 175.85 2kh2 s GLU 83 N 0.72 2.42 -0.28 1.70 2.02 0.36 -4.91 118.70 120.73 2kh2 s GLU 83 Ca 0.01 -0.77 -0.20 0.00 0.02 0.00 0.00 54.97 54.04 2kh2 s GLU 83 Cb -0.14 -2.37 -0.01 0.00 0.10 0.00 0.00 34.13 31.71 2kh2 s GLU 83 CO 0.02 0.60 0.62 -1.12 0.02 0.00 0.00 175.26 175.40 2kh2 s SER 84 N -1.06 6.52 0.20 -0.19 0.01 -1.26 -1.50 113.70 116.43 2kh2 s SER 84 Ca 0.14 0.55 0.09 0.00 1.31 0.00 0.00 55.95 58.03 2kh2 s SER 84 Cb -0.11 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 2kh2 s SER 84 CO 0.03 -0.42 -0.05 0.68 0.41 0.00 0.00 173.24 173.89 2kh2 s VAL 85 N 2.54 3.37 -0.01 3.43 -7.23 -0.23 -5.04 120.40 117.24 2kh2 s VAL 85 Ca 0.25 -1.67 -0.30 0.00 -1.81 0.00 0.00 61.98 58.46 2kh2 s VAL 85 Cb -0.15 -2.71 -0.08 0.00 0.56 0.00 0.00 36.38 34.00 2kh2 s VAL 85 CO 0.10 -0.17 2.01 -0.62 -0.31 0.00 0.00 175.10 176.11 2kh2 s ASP 86 N -3.06 6.27 0.60 4.85 2.15 -1.26 -4.80 116.67 121.42 2kh2 s ASP 86 Ca 0.27 2.53 0.32 0.00 0.43 0.00 0.00 52.55 56.10 2kh2 s ASP 86 Cb -0.08 -2.53 1.88 0.00 -0.30 0.00 0.00 42.92 41.89 2kh2 s ASP 86 CO 0.17 -1.22 2.24 1.55 -0.17 0.00 0.00 175.17 177.74 2kh2 h PRO 87 N 11.41 0.00 0.00 4.34 0.13 -1.92 -1.89 132.00 144.06 2kh2 h PRO 87 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kh2 h PRO 87 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kh2 h PRO 87 CO 0.94 0.00 -1.45 0.36 -0.23 0.00 0.00 178.00 177.62 2kh2 n LYS 88 N -3.71 0.61 -0.06 0.86 2.85 -1.26 -4.02 118.16 113.43 2kh2 n LYS 88 Ca -0.02 -0.03 0.12 0.00 -1.05 0.00 0.00 58.31 57.33 2kh2 n LYS 88 Cb 0.13 -1.67 0.26 0.00 -0.65 0.00 0.00 35.03 33.10 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 -2.44 2.59 -4.12 -5.58 3.02 -0.77 -4.90 115.26 103.06 2kh2 n ASN 89 Ca -0.02 -1.85 -0.14 0.00 -0.03 0.00 0.00 54.58 52.55 2kh2 n ASN 89 Cb 0.55 -0.08 -0.11 0.00 -0.61 0.00 0.00 39.78 39.53 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 -1.84 0.86 0.82 3.10 1.51 -0.83 -4.57 117.35 116.40 2kh2 s TYR 90 Ca 0.33 -0.58 -0.09 0.00 -1.01 0.00 0.00 57.07 55.72 2kh2 s TYR 90 Cb 0.21 -0.49 0.14 0.00 -0.11 0.00 0.00 41.96 41.71 2kh2 s TYR 90 CO 0.31 -0.06 1.14 -1.25 -1.11 0.00 0.00 175.55 174.58 2kh2 s PRO 91 N -2.16 1.34 0.07 -1.71 0.04 -1.26 -4.81 135.00 126.51 2kh2 s PRO 91 Ca -0.03 -0.62 -0.08 0.00 0.04 0.00 0.00 61.00 60.31 2kh2 s PRO 91 Cb -0.06 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 2kh2 s PRO 91 CO -0.00 -1.83 0.16 -1.59 0.04 0.00 0.00 177.00 173.78 2kh2 s LYS 92 N -5.49 0.78 0.00 4.56 -2.85 -1.26 -5.00 119.74 110.47 2kh2 s LYS 92 Ca 0.68 -0.93 -0.25 0.00 -1.00 0.00 0.00 55.97 54.48 2kh2 s LYS 92 Cb -0.06 0.31 -0.19 0.00 -2.06 0.00 0.00 37.83 35.84 2kh2 s LYS 92 CO 0.48 -0.23 1.35 -0.22 0.10 0.00 0.00 175.35 176.83 2kh2 h LYS 93 N 2.96 -0.05 -4.30 1.78 3.64 -1.89 -3.37 116.57 115.35 2kh2 h LYS 93 Ca -0.34 0.00 -0.75 0.00 -1.27 0.00 0.00 60.65 58.30 2kh2 h LYS 93 Cb 1.19 0.01 -0.23 0.00 -0.41 0.00 0.00 32.23 32.80 2kh2 h LYS 93 CO 0.56 0.32 0.51 0.21 -2.27 0.00 0.00 179.45 178.77 2kh2 s LYS 94 N -4.66 3.72 0.71 1.90 2.47 -1.26 -2.74 119.74 119.87 2kh2 s LYS 94 Ca -0.15 -2.32 -0.06 0.00 -1.56 0.00 0.00 55.97 51.87 2kh2 s LYS 94 Cb 0.03 -4.67 0.06 0.00 -1.46 0.00 0.00 37.83 31.79 2kh2 s LYS 94 CO 0.65 -1.49 1.01 -1.64 0.16 0.00 0.00 175.35 174.04 2kh2 s MET 95 N 1.00 2.16 0.47 4.03 -1.94 -1.26 -5.04 119.30 118.72 2kh2 s MET 95 Ca 0.27 -0.29 -0.23 0.00 -1.71 0.00 0.00 55.69 53.72 2kh2 s MET 95 Cb -0.08 -2.17 -0.07 0.00 2.01 0.00 0.00 34.83 34.52 2kh2 s MET 95 CO -0.08 -1.26 1.27 -1.21 -0.01 0.00 0.00 175.02 173.73 2kh2 s GLU 96 N -5.25 3.62 0.62 2.03 8.01 -1.26 -4.87 118.70 121.60 2kh2 s GLU 96 Ca 0.60 2.04 0.34 0.00 0.01 0.00 0.00 54.97 57.97 2kh2 s GLU 96 Cb -0.10 -2.46 1.99 0.00 -4.31 0.00 0.00 34.13 29.24 2kh2 s GLU 96 CO 0.45 -0.74 2.26 -0.22 0.01 0.00 0.00 175.26 177.01 2kh2 h LYS 97 N 2.04 0.00 0.00 1.61 3.64 -1.96 0.16 116.57 122.06 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 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2kh2 h LYS 97 CO 0.60 0.00 0.00 2.89 -2.27 0.00 0.00 179.45 180.67 2kh2 n ARG 98 N -3.55 0.10 -0.01 1.90 1.85 -1.26 -2.59 116.66 113.10 2kh2 n ARG 98 Ca -0.02 0.07 0.04 0.00 -1.00 0.00 0.00 57.85 56.94 2kh2 n ARG 98 Cb 0.13 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.08 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 -1.44 0.03 -3.53 2.89 3.72 0.52 -0.81 117.46 118.83 2kh2 n PHE 99 Ca 0.08 -0.04 -0.38 0.00 -0.05 0.00 0.00 57.45 57.06 2kh2 n PHE 99 Cb 0.27 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.71 2kh2 n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2kh2 s VAL 100 N -0.75 5.27 0.08 -4.37 1.01 -1.04 -4.21 120.40 116.40 2kh2 s VAL 100 Ca 0.11 0.34 0.07 0.00 0.00 0.00 0.00 61.98 62.49 2kh2 s VAL 100 Cb 0.07 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2kh2 s VAL 100 CO 0.11 0.25 -0.12 -0.36 0.00 0.00 0.00 175.10 174.98 2kh2 s PHE 101 N 1.61 2.71 -0.47 5.22 0.08 0.26 -1.90 117.98 125.49 2kh2 s PHE 101 Ca 0.11 -0.17 -0.15 0.00 0.12 0.00 0.00 56.93 56.84 2kh2 s PHE 101 Cb -0.15 -1.45 0.08 0.00 -0.57 0.00 0.00 43.02 40.92 2kh2 s PHE 101 CO 0.09 0.38 0.39 -0.80 -0.10 0.00 0.00 175.22 175.18 2kh2 s ASN 102 N -1.95 6.09 -0.70 1.36 0.02 0.24 -1.06 114.94 118.93 2kh2 s ASN 102 Ca 0.19 -1.38 -0.27 0.00 -1.02 0.00 0.00 52.86 50.38 2kh2 s ASN 102 Cb -0.11 -2.16 0.04 0.00 0.02 0.00 0.00 41.25 39.03 2kh2 s ASN 102 CO 0.11 -0.65 1.22 -0.75 0.02 0.00 0.00 177.10 177.05 2kh2 s LYS 103 N 1.61 3.23 -0.00 -0.60 2.20 0.19 -1.66 119.74 124.71 2kh2 s LYS 103 Ca 0.04 -0.24 -0.03 0.00 -0.36 0.00 0.00 55.97 55.37 2kh2 s LYS 103 Cb -0.25 -4.16 -0.04 0.00 -1.51 0.00 0.00 37.83 31.88 2kh2 s LYS 103 CO 0.06 -2.02 0.21 0.42 -0.36 0.00 0.00 175.35 173.65 2kh2 s ILE 104 N 5.37 5.40 -0.32 5.43 1.01 0.07 -1.42 121.20 136.75 2kh2 s ILE 104 Ca 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 2kh2 s ILE 104 Cb -0.09 -3.55 0.11 0.00 0.01 0.00 0.00 42.46 38.94 2kh2 s ILE 104 CO 0.16 0.32 0.15 -1.83 0.00 0.00 0.00 174.94 173.74 2kh2 s GLU 105 N -1.93 0.45 0.07 2.79 -1.05 -1.17 0.06 118.70 117.91 2kh2 s GLU 105 Ca 0.28 -0.91 -0.34 0.00 -0.15 0.00 0.00 54.97 53.84 2kh2 s GLU 105 Cb -0.13 -1.45 -0.19 0.00 -0.44 0.00 0.00 34.13 31.92 2kh2 s GLU 105 CO 0.18 -1.06 1.61 0.82 0.95 0.00 0.00 175.26 177.76 2kh2 h ILE 106 N 6.06 0.24 0.00 1.83 2.04 -1.90 -3.47 117.51 122.31 2kh2 h ILE 106 Ca -0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2kh2 h ILE 106 Cb 1.00 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2kh2 h ILE 106 CO 0.41 0.00 0.00 -3.20 0.00 0.00 0.00 178.15 175.36 2kh2 n ASN 107 N -5.54 0.00 -0.37 1.72 2.85 -1.26 -4.97 115.26 107.68 2kh2 n ASN 107 Ca -0.14 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.40 2kh2 n ASN 107 Cb 0.42 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.45 2kh2 n ASN 107 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2kh2 n ASN 108 N 0.00 1.64 -4.51 1.20 4.05 -1.26 -4.95 115.26 111.43 2kh2 n ASN 108 Ca 0.00 -1.32 -0.32 0.00 0.45 0.00 0.00 54.58 53.39 2kh2 n ASN 108 Cb 0.00 0.39 -0.12 0.00 1.23 0.00 0.00 39.78 41.28 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2kh2 s LYS 109 N -1.68 2.38 0.04 1.20 -0.14 -1.26 -4.86 119.74 115.42 2kh2 s LYS 109 Ca 0.13 -0.80 0.08 0.00 -1.36 0.00 0.00 55.97 54.03 2kh2 s LYS 109 Cb 0.12 -2.36 -0.03 0.00 -1.68 0.00 0.00 37.83 33.87 2kh2 s LYS 109 CO 0.34 0.59 -0.23 -0.48 -0.76 0.00 0.00 175.35 174.81 2kh2 s LEU 110 N -1.21 2.36 0.10 3.17 2.34 -0.06 -3.00 118.68 122.38 2kh2 s LEU 110 Ca 0.15 -0.51 0.08 0.00 0.06 0.00 0.00 54.13 53.90 2kh2 s LEU 110 Cb -0.11 -1.39 -0.04 0.00 -0.56 0.00 0.00 46.19 44.10 2kh2 s LEU 110 CO 0.05 0.26 -0.15 -1.61 -1.06 0.00 0.00 176.35 173.84 2kh2 s GLU 111 N -1.30 1.96 -0.34 1.48 2.02 0.11 0.27 118.70 122.90 2kh2 s GLU 111 Ca 0.13 -1.09 -0.00 0.00 0.02 0.00 0.00 54.97 54.03 2kh2 s GLU 111 Cb -0.10 -2.20 0.08 0.00 0.10 0.00 0.00 34.13 32.01 2kh2 s GLU 111 CO 0.03 0.50 0.06 -0.06 0.02 0.00 0.00 175.26 175.82 2kh2 s PHE 112 N -1.14 3.49 0.09 1.61 0.08 -1.26 -0.75 117.98 120.10 2kh2 s PHE 112 Ca 0.19 -2.38 -0.05 0.00 0.12 0.00 0.00 56.93 54.81 2kh2 s PHE 112 Cb -0.11 -2.64 -0.05 0.00 -0.57 0.00 0.00 43.02 39.65 2kh2 s PHE 112 CO 0.11 -0.90 0.33 -2.00 -0.10 0.00 0.00 175.22 172.66 2kh2 s GLU 113 N 1.11 3.60 -0.01 0.44 2.12 -0.67 -1.31 118.70 123.99 2kh2 s GLU 113 Ca 0.03 -0.10 -0.27 0.00 0.36 0.00 0.00 54.97 54.99 2kh2 s GLU 113 Cb -0.21 -2.95 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 2kh2 s GLU 113 CO -0.04 0.54 0.83 0.45 -0.54 0.00 0.00 175.26 176.50 2kh2 s SER 114 N -2.19 7.20 0.20 -1.70 0.15 0.21 0.80 113.70 118.37 2kh2 s SER 114 Ca 0.36 1.45 -0.03 0.00 0.70 0.00 0.00 55.95 58.43 2kh2 s SER 114 Cb -0.13 -2.49 0.15 0.00 -1.71 0.00 0.00 66.02 61.84 2kh2 s SER 114 CO 0.22 -0.14 1.55 0.00 1.20 0.00 0.00 173.24 176.07 2kh2 h ALA 115 N 6.49 0.77 -0.30 5.45 0.00 -1.58 -3.02 119.26 127.07 2kh2 h ALA 115 Ca -0.42 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 53.90 2kh2 h ALA 115 Cb 1.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2kh2 h ALA 115 CO 0.74 0.66 -0.33 0.37 0.00 0.00 0.00 179.25 180.69 2kh2 h GLN 116 N 0.48 0.65 -4.03 0.00 5.75 -1.77 -3.39 115.11 112.81 2kh2 h GLN 116 Ca 0.03 -0.30 -0.63 0.00 -0.15 0.00 0.00 58.65 57.60 2kh2 h GLN 116 Cb 0.97 -0.01 -0.40 0.00 1.07 0.00 0.00 27.48 29.11 2kh2 h GLN 116 CO 0.09 0.90 -0.72 -0.06 -2.65 0.00 0.00 178.83 176.38 2kh2 s PHE 117 N -4.39 2.87 0.39 3.99 0.08 -1.14 -5.08 117.98 114.70 2kh2 s PHE 117 Ca -0.08 -2.55 -0.27 0.00 0.12 0.00 0.00 56.93 54.14 2kh2 s PHE 117 Cb 0.13 -2.42 -0.10 0.00 -0.57 0.00 0.00 43.02 40.06 2kh2 s PHE 117 CO 0.83 -0.89 1.38 -2.14 -0.10 0.00 0.00 175.22 174.30 2kh2 s PRO 118 N 0.97 4.02 0.00 0.24 0.02 -1.23 -2.36 135.00 136.67 2kh2 s PRO 118 Ca 0.12 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.47 2kh2 s PRO 118 Cb -0.20 -2.86 0.00 0.00 0.02 0.00 0.00 34.50 31.47 2kh2 s PRO 118 CO -0.12 -0.51 0.00 0.09 -0.33 0.00 0.00 177.00 176.13 2kh2 n ASN 119 N 0.28 -2.12 -4.27 2.53 5.03 -1.26 -4.98 115.26 110.46 2kh2 n ASN 119 Ca 0.02 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.09 2kh2 n ASN 119 Cb 0.42 -0.97 -0.12 0.00 -1.02 0.00 0.00 39.78 38.08 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2kh2 s TRP 120 N -2.40 3.28 0.23 3.10 0.52 -0.99 -4.22 118.94 118.44 2kh2 s TRP 120 Ca 0.00 -1.45 0.10 0.00 0.02 0.00 0.00 56.10 54.77 2kh2 s TRP 120 Cb 0.00 -2.40 -0.04 0.00 -1.15 0.00 0.00 33.47 29.88 2kh2 s TRP 120 CO 0.00 -0.75 -0.07 0.71 0.02 0.00 0.00 176.95 176.86 2kh2 s TYR 121 N 1.40 2.62 -0.15 -1.98 2.02 0.54 -0.62 117.35 121.19 2kh2 s TYR 121 Ca -0.01 -0.23 -0.29 0.00 -0.37 0.00 0.00 57.07 56.17 2kh2 s TYR 121 Cb -0.20 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 2kh2 s TYR 121 CO 0.03 0.58 1.71 0.42 -1.57 0.00 0.00 175.55 176.72 2kh2 s ILE 122 N -2.05 3.55 0.17 2.71 1.01 -0.43 -0.23 121.20 125.94 2kh2 s ILE 122 Ca 0.28 0.63 0.09 0.00 0.00 0.00 0.00 60.65 61.65 2kh2 s ILE 122 Cb -0.07 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2kh2 s ILE 122 CO 0.17 -0.17 -0.11 -0.44 0.00 0.00 0.00 174.94 174.39 2kh2 s SER 123 N 4.32 4.16 0.07 3.58 0.01 0.11 -4.48 113.70 121.47 2kh2 s SER 123 Ca 0.76 -0.59 0.06 0.00 1.31 0.00 0.00 55.95 57.49 2kh2 s SER 123 Cb -0.30 -0.67 -0.03 0.00 0.21 0.00 0.00 66.02 65.23 2kh2 s SER 123 CO 0.31 0.11 -0.17 0.42 0.41 0.00 0.00 173.24 174.33 2kh2 s THR 124 N -1.64 1.32 0.61 1.44 -4.23 -0.22 -2.17 115.64 110.75 2kh2 s THR 124 Ca 0.24 -1.33 -0.07 0.00 -1.18 0.00 0.00 61.69 59.35 2kh2 s THR 124 Cb -0.09 -1.23 0.01 0.00 1.34 0.00 0.00 72.50 72.53 2kh2 s THR 124 CO 0.14 -0.12 0.94 -0.44 -0.54 0.00 0.00 174.62 174.59 2kh2 s SER 125 N -1.68 5.62 0.17 3.99 0.01 -1.26 -0.40 113.70 120.14 2kh2 s SER 125 Ca 0.01 0.82 0.03 0.00 1.31 0.00 0.00 55.95 58.13 2kh2 s SER 125 Cb -0.10 -1.80 -0.00 0.00 0.21 0.00 0.00 66.02 64.33 2kh2 s SER 125 CO 0.03 -1.09 1.38 1.56 0.41 0.00 0.00 173.24 175.53 2kh2 h GLN 126 N -0.25 0.18 -7.30 12.44 1.08 -1.98 -3.46 115.11 115.82 2kh2 h GLN 126 Ca -0.45 -0.20 -0.52 0.00 -1.45 0.00 0.00 58.65 56.03 2kh2 h GLN 126 Cb 1.25 0.06 0.15 0.00 -0.05 0.00 0.00 27.48 28.89 2kh2 h GLN 126 CO 0.61 0.94 0.29 0.00 -0.95 0.00 0.00 178.83 179.73 2kh2 s ALA 127 N -3.20 2.03 0.30 3.87 0.00 -1.26 -5.02 121.76 118.48 2kh2 s ALA 127 Ca -0.03 0.36 -0.15 0.00 0.00 0.00 0.00 51.96 52.14 2kh2 s ALA 127 Cb 0.10 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 2kh2 s ALA 127 CO 0.82 -2.05 0.71 -2.00 0.00 0.00 0.00 175.76 173.25 2kh2 s GLU 128 N -4.83 4.00 -1.37 0.00 2.56 -1.26 -4.01 118.70 113.78 2kh2 s GLU 128 Ca 0.63 0.64 0.00 0.00 0.00 0.00 0.00 54.97 56.24 2kh2 s GLU 128 Cb -0.19 -2.49 0.00 0.00 2.00 0.00 0.00 34.13 33.46 2kh2 s GLU 128 CO 0.57 0.19 0.00 -1.71 -0.56 0.00 0.00 175.26 173.75 2kh2 n ASN 129 N -0.26 -4.66 -4.86 -1.70 5.15 -1.16 -4.99 115.26 102.78 2kh2 n ASN 129 Ca 0.03 0.05 -0.37 0.00 -0.60 0.00 0.00 54.58 53.69 2kh2 n ASN 129 Cb 0.53 -3.75 -0.06 0.00 -0.53 0.00 0.00 39.78 35.97 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 -4.52 3.70 0.95 1.20 -1.94 -1.21 -4.84 119.30 112.65 2kh2 s MET 130 Ca 0.00 0.16 -0.12 0.00 -1.71 0.00 0.00 55.69 54.02 2kh2 s MET 130 Cb 0.00 -3.19 0.16 0.00 2.01 0.00 0.00 34.83 33.82 2kh2 s MET 130 CO 0.00 0.71 1.09 -2.14 -0.01 0.00 0.00 175.02 174.67 2kh2 s PRO 131 N -1.16 0.81 -0.19 2.03 0.02 -1.26 0.15 135.00 135.40 2kh2 s PRO 131 Ca 0.21 0.78 -0.07 0.00 0.02 0.00 0.00 61.00 61.94 2kh2 s PRO 131 Cb -0.15 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 2kh2 s PRO 131 CO 0.10 -2.54 0.05 0.08 -0.33 0.00 0.00 177.00 174.37 2kh2 s VAL 132 N -2.88 4.67 0.25 3.83 1.01 -0.25 -4.44 120.40 122.59 2kh2 s VAL 132 Ca 0.65 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.59 2kh2 s VAL 132 Cb -0.19 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 2kh2 s VAL 132 CO 0.58 0.45 0.15 2.22 0.00 0.00 0.00 175.10 178.51 2kh2 n PHE 133 N 3.66 -0.28 -3.65 5.22 1.16 -0.92 -4.81 117.46 117.84 2kh2 n PHE 133 Ca -0.17 -1.88 -0.36 0.00 -1.87 0.00 0.00 57.45 53.17 2kh2 n PHE 133 Cb 0.52 0.11 -0.09 0.00 -1.61 0.00 0.00 39.48 38.41 2kh2 n PHE 133 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2kh2 s LEU 134 N 0.00 4.12 0.15 5.98 2.96 -1.26 0.06 118.68 130.69 2kh2 s LEU 134 Ca 0.22 0.14 0.07 0.00 -0.22 0.00 0.00 54.13 54.34 2kh2 s LEU 134 Cb 0.01 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 2kh2 s LEU 134 CO 0.15 0.07 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.26 2kh2 s GLY 135 N 1.01 1.25 0.00 7.98 0.00 0.68 -4.87 107.32 113.37 2kh2 s GLY 135 Ca 0.08 -1.40 0.04 0.00 0.00 0.00 0.00 44.72 43.44 2kh2 s GLY 135 CO 0.04 -1.46 1.06 0.61 0.00 0.00 0.00 173.10 173.35 2kh2 n GLY 136 N 0.40 2.68 3.16 0.20 0.00 -1.26 -0.34 105.19 110.03 2kh2 n GLY 136 Ca -0.14 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.14 4.06 -2.61 2.61 -1.04 -1.26 -4.92 114.28 110.98 2kh2 n THR 137 Ca 0.04 -5.38 -0.42 0.00 -2.04 0.00 0.00 64.05 56.25 2kh2 n THR 137 Cb 0.30 -2.41 -0.03 0.00 -1.82 0.00 0.00 70.33 66.36 2kh2 n THR 137 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kh2 s LYS 138 N -1.63 4.47 0.00 -2.82 2.20 -1.26 -3.06 119.74 117.64 2kh2 s LYS 138 Ca 0.30 1.51 0.00 0.00 -0.36 0.00 0.00 55.97 57.43 2kh2 s LYS 138 Cb -0.05 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 2kh2 s LYS 138 CO -0.06 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.12 2kh2 n GLY 139 N 3.08 0.76 0.00 5.54 0.00 -1.26 -5.04 105.19 108.26 2kh2 n GLY 139 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.48 1.44 0.12 -0.02 0.00 -1.17 -5.00 105.19 98.08 2kh2 n GLY 140 Ca 0.00 -1.17 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 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 0.39 -7.18 1.61 7.50 -1.97 -3.46 115.11 112.00 2kh2 h GLN 141 Ca 0.00 -0.67 -0.50 0.00 0.50 0.00 0.00 58.65 57.99 2kh2 h GLN 141 Cb 0.00 0.25 0.08 0.00 0.05 0.00 0.00 27.48 27.86 2kh2 h GLN 141 CO 0.00 1.32 0.38 -0.51 -1.50 0.00 0.00 178.83 178.52 2kh2 s ASP 142 N -7.34 5.55 -0.21 1.46 1.01 -1.26 -4.59 116.67 111.29 2kh2 s ASP 142 Ca -0.06 1.93 -0.11 0.00 0.71 0.00 0.00 52.55 55.02 2kh2 s ASP 142 Cb 0.06 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.39 2kh2 s ASP 142 CO 0.91 -1.33 0.16 -0.63 0.21 0.00 0.00 175.17 174.49 2kh2 s ILE 143 N -2.32 5.38 -0.13 0.77 1.01 0.47 -4.58 121.20 121.81 2kh2 s ILE 143 Ca 0.66 0.23 0.07 0.00 0.00 0.00 0.00 60.65 61.60 2kh2 s ILE 143 Cb -0.19 -3.50 -0.09 0.00 0.01 0.00 0.00 42.46 38.69 2kh2 s ILE 143 CO 0.37 0.41 0.20 0.35 0.00 0.00 0.00 174.94 176.26 2kh2 n THR 144 N 3.75 0.00 -3.54 2.92 -2.24 -1.26 -1.06 114.28 112.86 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 0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 69.28 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 -2.35 6.76 0.27 3.42 -4.77 -1.26 -4.16 116.67 114.58 2kh2 s ASP 145 Ca -0.01 0.91 0.02 0.00 -3.30 0.00 0.00 52.55 50.17 2kh2 s ASP 145 Cb 0.05 -2.23 -0.04 0.00 -1.09 0.00 0.00 42.92 39.60 2kh2 s ASP 145 CO 0.28 0.33 0.12 -0.36 0.70 0.00 0.00 175.17 176.24 2kh2 s PHE 146 N -1.03 1.52 0.48 2.11 0.08 0.14 -3.44 117.98 117.84 2kh2 s PHE 146 Ca 0.23 -1.27 0.07 0.00 0.12 0.00 0.00 56.93 56.08 2kh2 s PHE 146 Cb -0.16 -0.85 0.02 0.00 -0.57 0.00 0.00 43.02 41.46 2kh2 s PHE 146 CO 0.12 -0.44 0.46 0.95 -0.10 0.00 0.00 175.22 176.22 2kh2 s THR 147 N -3.75 2.26 -0.12 0.64 -4.23 0.20 -0.88 115.64 109.76 2kh2 s THR 147 Ca 0.37 -1.32 -0.02 0.00 -1.18 0.00 0.00 61.69 59.54 2kh2 s THR 147 Cb 0.07 -2.58 0.04 0.00 1.34 0.00 0.00 72.50 71.37 2kh2 s THR 147 CO 0.15 0.00 0.02 -0.32 -0.54 0.00 0.00 174.62 173.93 2kh2 s MET 148 N -4.28 0.56 -0.28 3.99 1.75 -1.26 -3.98 119.30 115.80 2kh2 s MET 148 Ca 0.46 -0.08 0.02 0.00 -1.25 0.00 0.00 55.69 54.84 2kh2 s MET 148 Cb -0.04 -1.43 0.08 0.00 2.84 0.00 0.00 34.83 36.28 2kh2 s MET 148 CO 0.28 -0.45 -0.01 -0.65 -0.65 0.00 0.00 175.02 173.53 2kh2 s GLN 149 N 1.95 1.60 0.25 4.11 1.11 -0.97 -4.98 119.66 122.73 2kh2 s GLN 149 Ca 0.03 -1.36 -0.25 0.00 0.01 0.00 0.00 55.36 53.78 2kh2 s GLN 149 Cb -0.14 -2.78 -0.09 0.00 -1.01 0.00 0.00 33.01 28.99 2kh2 s GLN 149 CO -0.06 -0.75 0.85 -0.06 0.01 0.00 0.00 175.29 175.27 2kh2 s PHE 150 N 1.20 3.78 0.54 0.91 0.08 -1.26 -0.81 117.98 122.42 2kh2 s PHE 150 Ca 0.01 1.67 0.02 0.00 0.12 0.00 0.00 56.93 58.75 2kh2 s PHE 150 Cb -0.19 -2.82 0.02 0.00 -0.57 0.00 0.00 43.02 39.46 2kh2 s PHE 150 CO -0.09 0.36 0.17 0.14 -0.10 0.00 0.00 175.22 175.70 2kh2 s VAL 151 N -1.41 1.22 -1.05 -0.44 -7.23 -1.01 -4.98 120.40 105.50 2kh2 s VAL 151 Ca 0.43 -1.79 -0.17 0.00 -1.81 0.00 0.00 61.98 58.64 2kh2 s VAL 151 Cb -0.20 -2.01 0.13 0.00 0.56 0.00 0.00 36.38 34.85 2kh2 s VAL 151 CO 0.25 0.00 1.30 -0.44 -0.31 0.00 0.00 175.10 175.90 2kh2 s SER 152 N -4.08 6.77 0.00 4.85 0.01 -1.26 -4.82 113.70 115.18 2kh2 s SER 152 Ca 0.13 -2.32 0.00 0.00 1.31 0.00 0.00 55.95 55.07 2kh2 s SER 152 Cb -0.01 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2kh2 s SER 152 CO 0.09 -1.01 0.00 -1.20 0.41 0.00 0.00 173.24 171.53