#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 0.75 -4.83 0.00 0.13 -2.07 -3.41 132.00 122.56 2kh2 h PRO 2 Ca 0.00 -0.46 -0.67 0.00 -0.87 0.00 0.00 66.00 64.00 2kh2 h PRO 2 Cb 0.00 0.05 -0.23 0.00 0.13 0.00 0.00 31.00 30.95 2kh2 h PRO 2 CO 0.00 1.09 -0.58 0.54 -0.23 0.00 0.00 178.00 178.82 2kh2 s VAL 3 N -4.10 4.44 -0.11 1.56 0.11 -1.26 -5.05 120.40 116.00 2kh2 s VAL 3 Ca -0.09 -0.39 -0.14 0.00 -2.93 0.00 0.00 61.98 58.43 2kh2 s VAL 3 Cb 0.11 -3.22 -0.05 0.00 -1.53 0.00 0.00 36.38 31.69 2kh2 s VAL 3 CO 0.87 0.14 0.35 -0.13 -3.33 0.00 0.00 175.10 173.00 2kh2 s ARG 4 N 1.60 4.12 -0.10 1.54 0.52 -1.26 -5.03 118.95 120.33 2kh2 s ARG 4 Ca 0.05 0.23 -0.09 0.00 -0.52 0.00 0.00 55.73 55.40 2kh2 s ARG 4 Cb -0.17 -3.35 0.03 0.00 0.52 0.00 0.00 34.95 31.98 2kh2 s ARG 4 CO 0.05 0.39 0.27 0.45 0.02 0.00 0.00 175.30 176.48 2kh2 s SER 5 N -0.03 -0.28 0.43 0.23 0.15 -1.26 -1.47 113.70 111.46 2kh2 s SER 5 Ca 0.20 0.55 0.04 0.00 0.70 0.00 0.00 55.95 57.44 2kh2 s SER 5 Cb -0.14 0.53 -0.05 0.00 -1.71 0.00 0.00 66.02 64.65 2kh2 s SER 5 CO 0.08 -0.11 0.03 -0.76 1.20 0.00 0.00 173.24 173.68 2kh2 s LEU 6 N 0.34 2.48 0.00 3.45 1.43 -0.33 -4.92 118.68 121.13 2kh2 s LEU 6 Ca -0.02 -1.50 0.07 0.00 -1.03 0.00 0.00 54.13 51.65 2kh2 s LEU 6 Cb -0.03 -0.69 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 2kh2 s LEU 6 CO -0.01 -0.66 -0.21 0.20 0.23 0.00 0.00 176.35 175.89 2kh2 s ASN 7 N -3.73 2.48 0.22 2.29 0.01 -1.26 0.42 114.94 115.37 2kh2 s ASN 7 Ca 0.24 -0.42 -0.15 0.00 -0.71 0.00 0.00 52.86 51.82 2kh2 s ASN 7 Cb 0.06 -0.26 0.01 0.00 0.41 0.00 0.00 41.25 41.47 2kh2 s ASN 7 CO 0.12 0.23 0.49 0.00 -1.51 0.00 0.00 177.10 176.43 2kh2 s THR 9 N -3.95 2.80 -0.20 0.00 2.01 0.14 -2.22 115.64 114.22 2kh2 s THR 9 Ca 0.16 -1.13 -0.26 0.00 0.31 0.00 0.00 61.69 60.78 2kh2 s THR 9 Cb -0.01 -2.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.04 2kh2 s THR 9 CO 0.03 0.15 0.88 -0.76 -0.69 0.00 0.00 174.62 174.23 2kh2 s LEU 10 N 1.29 4.14 -0.02 4.42 1.43 -1.26 -2.73 118.68 125.96 2kh2 s LEU 10 Ca -0.01 1.19 0.04 0.00 -1.03 0.00 0.00 54.13 54.32 2kh2 s LEU 10 Cb -0.17 -3.29 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 2kh2 s LEU 10 CO -0.04 -0.48 -0.12 -0.13 0.23 0.00 0.00 176.35 175.81 2kh2 s ARG 11 N 2.50 1.06 0.89 1.70 1.81 -1.20 -4.18 118.95 121.53 2kh2 s ARG 11 Ca 0.39 -0.43 -0.10 0.00 -1.72 0.00 0.00 55.73 53.87 2kh2 s ARG 11 Cb -0.16 -1.00 0.19 0.00 -0.45 0.00 0.00 34.95 33.52 2kh2 s ARG 11 CO 0.10 0.23 1.22 0.16 -0.68 0.00 0.00 175.30 176.33 2kh2 s ASP 12 N -0.16 3.44 0.00 0.23 1.47 -1.14 -0.39 116.67 120.13 2kh2 s ASP 12 Ca 0.02 -0.04 0.12 0.00 1.18 0.00 0.00 52.55 53.84 2kh2 s ASP 12 Cb -0.06 -0.08 0.51 0.00 -0.34 0.00 0.00 42.92 42.95 2kh2 s ASP 12 CO -0.00 -2.49 1.38 -1.54 0.68 0.00 0.00 175.17 173.20 2kh2 n SER 13 N -3.46 0.00 -1.39 2.11 3.41 -1.25 -1.72 113.62 111.32 2kh2 n SER 13 Ca 0.16 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 2kh2 n SER 13 Cb 0.60 -0.50 0.33 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.50 2.80 -1.95 4.33 1.13 -1.26 -4.93 117.38 116.00 2kh2 n GLN 14 Ca 0.03 -2.70 -0.15 0.00 -1.94 0.00 0.00 57.00 52.24 2kh2 n GLN 14 Cb 0.14 -1.60 -0.03 0.00 0.11 0.00 0.00 30.24 28.86 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 1.65 -1.14 -3.31 -1.09 1.13 -0.70 -4.94 117.38 108.98 2kh2 n GLN 15 Ca 0.25 0.85 -0.33 0.00 -1.94 0.00 0.00 57.00 55.83 2kh2 n GLN 15 Cb 0.65 -5.11 -0.06 0.00 0.11 0.00 0.00 30.24 25.83 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 3.92 0.18 -1.09 1.02 -1.26 -4.30 119.74 114.05 2kh2 s LYS 16 Ca 0.00 0.46 0.09 0.00 0.02 0.00 0.00 55.97 56.54 2kh2 s LYS 16 Cb 0.00 -2.67 -0.04 0.00 -0.52 0.00 0.00 37.83 34.60 2kh2 s LYS 16 CO 0.00 0.32 -0.11 -1.12 -0.92 0.00 0.00 175.35 173.52 2kh2 s SER 17 N -2.15 4.19 -0.19 2.83 0.01 0.15 -2.89 113.70 115.66 2kh2 s SER 17 Ca 0.47 -0.60 -0.20 0.00 1.31 0.00 0.00 55.95 56.94 2kh2 s SER 17 Cb -0.12 -0.69 -0.03 0.00 0.21 0.00 0.00 66.02 65.39 2kh2 s SER 17 CO 0.20 0.11 0.57 -0.76 0.41 0.00 0.00 173.24 173.76 2kh2 s LEU 18 N -2.80 4.16 0.12 2.44 1.43 -1.26 -1.34 118.68 121.43 2kh2 s LEU 18 Ca 0.24 0.77 0.09 0.00 -1.03 0.00 0.00 54.13 54.20 2kh2 s LEU 18 Cb -0.09 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 2kh2 s LEU 18 CO 0.15 -0.20 -0.21 0.68 0.23 0.00 0.00 176.35 176.99 2kh2 s VAL 19 N 1.64 1.83 -0.43 -1.59 -7.23 0.38 -2.50 120.40 112.49 2kh2 s VAL 19 Ca 0.27 -1.68 -0.27 0.00 -1.81 0.00 0.00 61.98 58.49 2kh2 s VAL 19 Cb -0.16 -1.70 0.02 0.00 0.56 0.00 0.00 36.38 35.11 2kh2 s VAL 19 CO 0.10 -0.10 1.03 -0.04 -0.31 0.00 0.00 175.10 175.78 2kh2 s MET 20 N -2.16 3.73 0.00 4.82 -1.94 -1.26 -1.05 119.30 121.44 2kh2 s MET 20 Ca 0.10 0.51 0.00 0.00 -1.71 0.00 0.00 55.69 54.59 2kh2 s MET 20 Cb -0.09 -3.87 0.00 0.00 2.01 0.00 0.00 34.83 32.88 2kh2 s MET 20 CO 0.05 -1.19 0.02 0.45 -0.01 0.00 0.00 175.02 174.35 2kh2 n SER 21 N 7.32 0.00 -0.71 3.03 2.88 0.27 -4.97 113.62 121.44 2kh2 n SER 21 Ca 0.09 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2kh2 n SER 21 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 2.40 1.67 0.22 0.46 0.00 -1.22 -4.94 105.19 103.78 2kh2 n GLY 22 Ca 0.00 -2.02 0.09 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.35 1.61 0.13 -2.04 -3.27 132.00 128.09 2kh2 h PRO 23 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.89 2kh2 h PRO 23 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 2kh2 h PRO 23 CO 0.00 0.24 -1.07 0.66 -0.23 0.00 0.00 178.00 177.60 2kh2 n TYR 24 N -3.52 1.07 -4.26 1.56 4.01 -1.26 -5.05 117.16 109.71 2kh2 n TYR 24 Ca -0.01 -1.78 -0.20 0.00 -0.16 0.00 0.00 57.90 55.76 2kh2 n TYR 24 Cb 0.40 -0.22 -0.16 0.00 -0.31 0.00 0.00 39.34 39.05 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 -2.96 0.84 -0.05 -0.72 2.12 -1.23 -4.33 118.70 112.36 2kh2 s GLU 25 Ca 0.30 -0.20 0.06 0.00 0.36 0.00 0.00 54.97 55.50 2kh2 s GLU 25 Cb 0.34 -0.81 -0.01 0.00 0.26 0.00 0.00 34.13 33.91 2kh2 s GLU 25 CO -0.06 0.02 -0.24 -0.51 -0.54 0.00 0.00 175.26 173.93 2kh2 s LEU 26 N 0.49 2.15 0.14 2.70 1.43 -1.26 -0.57 118.68 123.77 2kh2 s LEU 26 Ca -0.07 -0.47 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 2kh2 s LEU 26 Cb -0.11 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 2kh2 s LEU 26 CO 0.00 0.26 -0.18 -0.54 0.23 0.00 0.00 176.35 176.13 2kh2 s LYS 27 N -0.27 1.20 -0.19 1.70 1.02 -0.21 -1.40 119.74 121.59 2kh2 s LYS 27 Ca -0.00 -1.33 -0.01 0.00 0.02 0.00 0.00 55.97 54.65 2kh2 s LYS 27 Cb -0.13 -1.29 0.00 0.00 -0.52 0.00 0.00 37.83 35.90 2kh2 s LYS 27 CO 0.03 0.27 -0.13 0.00 -0.92 0.00 0.00 175.35 174.59 2kh2 s ALA 28 N -1.85 2.54 0.14 5.17 0.00 0.30 -0.47 121.76 127.58 2kh2 s ALA 28 Ca 0.13 -1.16 -0.15 0.00 0.00 0.00 0.00 51.96 50.78 2kh2 s ALA 28 Cb -0.07 -1.37 0.03 0.00 0.00 0.00 0.00 23.12 21.71 2kh2 s ALA 28 CO 0.06 -0.30 0.40 -0.48 0.00 0.00 0.00 175.76 175.44 2kh2 s LEU 29 N 1.23 0.44 0.17 0.00 0.05 -0.45 -3.05 118.68 117.08 2kh2 s LEU 29 Ca 0.03 -0.40 -0.32 0.00 0.05 0.00 0.00 54.13 53.49 2kh2 s LEU 29 Cb -0.14 1.80 -0.10 0.00 -2.05 0.00 0.00 46.19 45.70 2kh2 s LEU 29 CO -0.06 -0.88 1.59 -1.00 -0.55 0.00 0.00 176.35 175.45 2kh2 s HIS 30 N -3.83 3.03 -0.29 3.48 3.76 -1.26 0.31 115.29 120.50 2kh2 s HIS 30 Ca 0.05 0.58 -0.02 0.00 -0.15 0.00 0.00 55.06 55.53 2kh2 s HIS 30 Cb 0.02 -3.96 0.09 0.00 1.11 0.00 0.00 32.58 29.83 2kh2 s HIS 30 CO -0.10 -3.57 0.09 -1.17 -0.85 0.00 0.00 174.74 169.15 2kh2 s LEU 31 N 1.11 1.76 0.00 0.89 2.96 -1.26 -4.88 118.68 119.26 2kh2 s LEU 31 Ca 0.71 -1.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.18 2kh2 s LEU 31 Cb -0.45 -0.73 0.00 0.00 0.50 0.00 0.00 46.19 45.51 2kh2 s LEU 31 CO 0.32 -0.40 0.00 0.00 -1.32 0.00 0.00 176.35 174.95 2kh2 n GLN 32 N 4.95 2.40 0.00 1.98 6.02 -1.26 -4.75 117.38 126.73 2kh2 n GLN 32 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 2kh2 n GLN 32 Cb 0.43 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.69 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 3.00 2.83 0.16 1.08 0.00 -1.26 -3.00 105.19 108.00 2kh2 n GLY 33 Ca 0.00 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 45.84 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 13.53 1.11 -0.31 1.61 -0.06 -1.26 -4.63 117.38 127.38 2kh2 n GLN 34 Ca 0.00 -2.01 0.08 0.00 -2.00 0.00 0.00 57.00 53.06 2kh2 n GLN 34 Cb 0.00 -1.17 0.23 0.00 -4.06 0.00 0.00 30.24 25.24 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 -0.95 3.50 0.27 1.69 9.92 -1.16 -4.53 116.55 125.30 2kh2 n ASP 35 Ca 0.10 -2.16 0.11 0.00 -0.53 0.00 0.00 54.79 52.31 2kh2 n ASP 35 Cb 0.61 -0.37 0.76 0.00 -0.64 0.00 0.00 41.12 41.48 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 2kh2 h MET 36 N 2.79 0.00 0.00 -1.24 4.05 -1.82 -2.38 114.93 116.33 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 0.05 0.03 0.00 -0.85 0.23 0.00 0.00 176.91 176.38 2kh2 n GLU 37 N -4.12 0.00 0.00 0.39 0.00 -1.26 -1.31 120.64 114.34 2kh2 n GLU 37 Ca -0.03 0.37 0.15 0.00 0.00 0.00 0.00 57.16 57.65 2kh2 n GLU 37 Cb 0.12 -1.50 0.81 0.00 0.00 0.00 0.00 31.44 30.87 2kh2 n GLU 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2kh2 n GLN 38 N -1.37 1.07 -1.72 3.44 6.02 -0.90 -4.88 117.38 119.04 2kh2 n GLN 38 Ca 0.00 -0.23 -0.33 0.00 -0.01 0.00 0.00 57.00 56.44 2kh2 n GLN 38 Cb 0.00 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 29.81 2kh2 n GLN 38 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2kh2 s GLN 39 N -2.09 2.78 -0.05 -1.09 -2.07 -0.43 -4.72 119.66 112.00 2kh2 s GLN 39 Ca 0.43 1.35 -0.13 0.00 -1.82 0.00 0.00 55.36 55.19 2kh2 s GLN 39 Cb 0.21 -1.95 -0.05 0.00 -1.09 0.00 0.00 33.01 30.13 2kh2 s GLN 39 CO 0.38 -1.26 0.33 0.08 -1.32 0.00 0.00 175.29 173.50 2kh2 s VAL 40 N -2.41 5.19 -0.21 3.63 1.01 -1.04 -5.03 120.40 121.53 2kh2 s VAL 40 Ca 0.66 0.65 -0.10 0.00 0.00 0.00 0.00 61.98 63.19 2kh2 s VAL 40 Cb -0.20 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2kh2 s VAL 40 CO 0.43 0.57 0.13 -0.69 0.00 0.00 0.00 175.10 175.53 2kh2 s VAL 41 N -0.87 5.28 -0.11 2.92 1.01 -1.26 -4.76 120.40 122.59 2kh2 s VAL 41 Ca 0.21 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 2kh2 s VAL 41 Cb -0.15 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2kh2 s VAL 41 CO 0.10 0.41 0.05 -0.36 0.00 0.00 0.00 175.10 175.30 2kh2 s PHE 42 N 0.64 3.31 -0.25 5.22 0.08 -0.94 -1.65 117.98 124.38 2kh2 s PHE 42 Ca 0.07 0.27 -0.15 0.00 0.12 0.00 0.00 56.93 57.24 2kh2 s PHE 42 Cb -0.12 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.40 2kh2 s PHE 42 CO 0.01 0.50 0.38 -1.12 -0.10 0.00 0.00 175.22 174.88 2kh2 s SER 43 N -0.70 6.30 -0.47 1.36 0.01 0.66 -1.73 113.70 119.12 2kh2 s SER 43 Ca 0.12 0.34 -0.12 0.00 1.31 0.00 0.00 55.95 57.60 2kh2 s SER 43 Cb -0.12 -2.21 0.10 0.00 0.21 0.00 0.00 66.02 64.00 2kh2 s SER 43 CO 0.02 -0.15 0.37 0.00 0.41 0.00 0.00 173.24 173.89 2kh2 s MET 44 N 1.86 2.74 0.04 12.44 0.23 0.17 -2.54 119.30 134.23 2kh2 s MET 44 Ca 0.16 -1.58 -0.17 0.00 -1.03 0.00 0.00 55.69 53.06 2kh2 s MET 44 Cb -0.15 -4.02 -0.06 0.00 -1.53 0.00 0.00 34.83 29.07 2kh2 s MET 44 CO 0.09 -1.12 0.50 -1.12 -2.03 0.00 0.00 175.02 171.34 2kh2 s SER 45 N 2.72 6.96 -0.32 -1.18 0.01 -1.05 -1.19 113.70 119.65 2kh2 s SER 45 Ca 0.04 1.14 -0.21 0.00 1.31 0.00 0.00 55.95 58.23 2kh2 s SER 45 Cb -0.26 -2.32 -0.00 0.00 0.21 0.00 0.00 66.02 63.65 2kh2 s SER 45 CO 0.02 0.29 0.69 -0.36 0.41 0.00 0.00 173.24 174.30 2kh2 s PHE 46 N -1.10 3.20 0.43 2.43 0.08 -0.54 -0.67 117.98 121.79 2kh2 s PHE 46 Ca 0.27 0.62 0.07 0.00 0.12 0.00 0.00 56.93 58.01 2kh2 s PHE 46 Cb -0.18 -3.10 -0.04 0.00 -0.57 0.00 0.00 43.02 39.13 2kh2 s PHE 46 CO 0.17 -0.54 0.21 0.14 -0.10 0.00 0.00 175.22 175.11 2kh2 s VAL 47 N 2.75 2.26 -0.16 -0.44 -7.23 -0.97 -4.70 120.40 111.91 2kh2 s VAL 47 Ca 0.28 -1.65 -0.10 0.00 -1.81 0.00 0.00 61.98 58.70 2kh2 s VAL 47 Cb -0.15 -2.91 -0.05 0.00 0.56 0.00 0.00 36.38 33.84 2kh2 s VAL 47 CO 0.13 0.00 0.16 -1.10 -0.31 0.00 0.00 175.10 173.98 2kh2 s GLN 48 N -3.96 3.93 0.00 4.82 1.11 -1.25 -4.64 119.66 119.67 2kh2 s GLN 48 Ca 0.40 -0.13 0.00 0.00 0.01 0.00 0.00 55.36 55.65 2kh2 s GLN 48 Cb 0.03 -3.33 0.00 0.00 -1.01 0.00 0.00 33.01 28.69 2kh2 s GLN 48 CO 0.22 0.48 0.00 0.41 0.01 0.00 0.00 175.29 176.41 2kh2 n GLY 49 N 2.90 -0.59 3.55 3.09 0.00 -1.26 -4.95 105.19 107.93 2kh2 n GLY 49 Ca -0.17 0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.08 2.82 0.14 1.61 2.56 -1.26 -4.96 118.70 119.53 2kh2 s GLU 50 Ca 0.00 0.26 0.11 0.00 0.00 0.00 0.00 54.97 55.34 2kh2 s GLU 50 Cb 0.00 -4.37 -0.04 0.00 2.00 0.00 0.00 34.13 31.72 2kh2 s GLU 50 CO 0.00 -2.57 -0.26 -2.00 -0.56 0.00 0.00 175.26 169.87 2kh2 s GLU 51 N 6.59 1.40 0.00 4.30 2.12 -1.26 -3.55 118.70 128.30 2kh2 s GLU 51 Ca 0.57 -1.37 0.00 0.00 0.36 0.00 0.00 54.97 54.52 2kh2 s GLU 51 Cb -0.11 -1.84 0.00 0.00 0.26 0.00 0.00 34.13 32.44 2kh2 s GLU 51 CO 0.17 0.43 0.00 -1.13 -0.54 0.00 0.00 175.26 174.19 2kh2 n SER 52 N 0.78 0.00 0.03 -1.70 3.41 0.36 -4.95 113.62 111.55 2kh2 n SER 52 Ca -0.17 -0.18 0.12 0.00 -0.26 0.00 0.00 58.87 58.38 2kh2 n SER 52 Cb 0.54 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.70 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 -0.21 0.58 -0.01 4.04 4.13 -1.26 -4.28 115.26 118.26 2kh2 n ASN 53 Ca 0.00 -0.02 -0.02 0.00 1.68 0.00 0.00 54.58 56.22 2kh2 n ASN 53 Cb 0.00 0.19 -0.02 0.00 -1.54 0.00 0.00 39.78 38.42 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2kh2 n ASP 54 N -1.83 4.06 -4.62 6.41 5.75 -1.26 -5.00 116.55 120.06 2kh2 n ASP 54 Ca 0.04 -0.01 -0.35 0.00 -0.01 0.00 0.00 54.79 54.46 2kh2 n ASP 54 Cb 0.39 0.25 -0.10 0.00 -1.03 0.00 0.00 41.12 40.64 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2kh2 s LYS 55 N -2.06 3.96 -0.09 0.11 2.20 -1.25 -2.10 119.74 120.50 2kh2 s LYS 55 Ca -0.03 -0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.25 2kh2 s LYS 55 Cb 0.01 -3.28 0.02 0.00 -1.51 0.00 0.00 37.83 33.07 2kh2 s LYS 55 CO 0.09 0.19 -0.12 0.42 -0.36 0.00 0.00 175.35 175.56 2kh2 s ILE 56 N 0.61 1.25 -0.37 5.43 -1.09 -0.48 -0.49 121.20 126.06 2kh2 s ILE 56 Ca 0.04 -0.50 -0.29 0.00 -2.23 0.00 0.00 60.65 57.67 2kh2 s ILE 56 Cb -0.13 -1.16 0.01 0.00 -1.58 0.00 0.00 42.46 39.60 2kh2 s ILE 56 CO 0.01 0.39 1.25 -2.16 -1.23 0.00 0.00 174.94 173.20 2kh2 s PRO 57 N 0.98 3.82 0.12 2.79 0.04 -1.23 -1.25 135.00 140.27 2kh2 s PRO 57 Ca -0.08 0.99 0.03 0.00 0.04 0.00 0.00 61.00 61.98 2kh2 s PRO 57 Cb -0.15 -3.90 -0.04 0.00 0.04 0.00 0.00 34.50 30.45 2kh2 s PRO 57 CO -0.00 -1.25 -0.07 0.14 0.04 0.00 0.00 177.00 175.86 2kh2 s VAL 58 N 4.51 0.87 0.09 -0.36 -7.23 -0.32 -2.29 120.40 115.67 2kh2 s VAL 58 Ca 0.54 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 2kh2 s VAL 58 Cb -0.13 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 2kh2 s VAL 58 CO 0.26 -0.79 0.12 0.00 -0.31 0.00 0.00 175.10 174.38 2kh2 s ALA 59 N -3.52 3.69 -0.23 1.32 0.00 0.15 -0.12 121.76 123.05 2kh2 s ALA 59 Ca 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.11 2kh2 s ALA 59 Cb 0.04 -1.53 0.06 0.00 0.00 0.00 0.00 23.12 21.69 2kh2 s ALA 59 CO -0.02 0.73 -0.04 -0.51 0.00 0.00 0.00 175.76 175.92 2kh2 s LEU 60 N -2.53 2.44 0.15 0.00 1.43 -1.26 -2.54 118.68 116.37 2kh2 s LEU 60 Ca 0.31 -1.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.26 2kh2 s LEU 60 Cb -0.12 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 2kh2 s LEU 60 CO 0.24 -0.25 -0.02 -0.83 0.23 0.00 0.00 176.35 175.72 2kh2 s GLY 61 N 1.45 1.09 0.23 -3.19 0.00 -1.05 -1.01 107.32 104.83 2kh2 s GLY 61 Ca -0.04 -1.52 -0.30 0.00 0.00 0.00 0.00 44.72 42.86 2kh2 s GLY 61 CO -0.07 -1.50 1.00 1.08 0.00 0.00 0.00 173.10 173.61 2kh2 s LEU 62 N -3.13 4.59 0.24 0.66 1.02 0.07 -0.25 118.68 121.87 2kh2 s LEU 62 Ca 0.21 2.03 -0.31 0.00 0.02 0.00 0.00 54.13 56.07 2kh2 s LEU 62 Cb 0.06 -3.61 -0.12 0.00 0.02 0.00 0.00 46.19 42.53 2kh2 s LEU 62 CO 0.01 0.01 1.60 1.17 0.02 0.00 0.00 176.35 179.16 2kh2 n LYS 63 N 1.68 2.52 -2.90 1.70 4.81 -0.66 -2.30 118.16 123.01 2kh2 n LYS 63 Ca -0.01 0.90 -0.16 0.00 -0.87 0.00 0.00 58.31 58.18 2kh2 n LYS 63 Cb 0.47 -2.68 -0.01 0.00 0.02 0.00 0.00 35.03 32.83 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 2.88 -2.79 -4.18 1.64 0.00 -1.26 -4.94 120.64 111.99 2kh2 n GLU 64 Ca 0.13 0.42 -0.11 0.00 0.00 0.00 0.00 57.16 57.60 2kh2 n GLU 64 Cb 0.34 -5.05 -0.10 0.00 0.00 0.00 0.00 31.44 26.63 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2kh2 s LYS 65 N -5.50 0.88 -0.03 3.44 1.02 -0.97 -5.03 119.74 113.54 2kh2 s LYS 65 Ca 0.19 -1.37 0.15 0.00 0.02 0.00 0.00 55.97 54.96 2kh2 s LYS 65 Cb -0.10 -0.16 0.49 0.00 -0.52 0.00 0.00 37.83 37.54 2kh2 s LYS 65 CO 0.24 -0.06 1.39 0.27 -0.92 0.00 0.00 175.35 176.26 2kh2 n ASN 66 N -0.08 3.08 -4.57 2.83 0.23 -1.26 -4.60 115.26 110.89 2kh2 n ASN 66 Ca -0.11 -2.11 -0.42 0.00 -0.53 0.00 0.00 54.58 51.42 2kh2 n ASN 66 Cb 0.61 -0.40 -0.06 0.00 -2.08 0.00 0.00 39.78 37.85 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 -1.15 4.25 0.12 -4.53 1.43 -1.26 -2.02 118.68 115.52 2kh2 s LEU 67 Ca 0.36 0.14 0.10 0.00 -1.03 0.00 0.00 54.13 53.71 2kh2 s LEU 67 Cb 0.20 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 2kh2 s LEU 67 CO 0.22 -0.61 -0.26 -0.31 0.23 0.00 0.00 176.35 175.62 2kh2 s TYR 68 N 2.75 2.23 -0.15 0.29 1.51 -0.94 -0.75 117.35 122.29 2kh2 s TYR 68 Ca 0.25 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.63 2kh2 s TYR 68 Cb -0.14 -1.23 -0.01 0.00 -0.11 0.00 0.00 41.96 40.47 2kh2 s TYR 68 CO 0.15 0.29 1.20 -0.51 -1.11 0.00 0.00 175.55 175.57 2kh2 s LEU 69 N -1.93 4.19 -0.02 -1.29 1.43 -0.18 -0.55 118.68 120.34 2kh2 s LEU 69 Ca 0.13 1.65 0.07 0.00 -1.03 0.00 0.00 54.13 54.95 2kh2 s LEU 69 Cb -0.10 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 2kh2 s LEU 69 CO 0.05 -0.69 -0.24 -0.55 0.23 0.00 0.00 176.35 175.15 2kh2 s SER 70 N 1.68 2.82 -0.33 2.29 0.15 0.85 -4.54 113.70 116.62 2kh2 s SER 70 Ca 0.53 -0.44 -0.10 0.00 0.70 0.00 0.00 55.95 56.64 2kh2 s SER 70 Cb -0.21 -0.31 -0.00 0.00 -1.71 0.00 0.00 66.02 63.79 2kh2 s SER 70 CO 0.15 0.29 0.17 0.00 1.20 0.00 0.00 173.24 175.05 2kh2 s VAL 72 N 1.60 0.51 -0.28 0.00 -7.23 -0.46 -4.76 120.40 109.80 2kh2 s VAL 72 Ca 0.04 -1.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.08 2kh2 s VAL 72 Cb -0.17 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2kh2 s VAL 72 CO 0.06 -0.17 0.35 -0.76 -0.31 0.00 0.00 175.10 174.27 2kh2 s LEU 73 N -3.24 4.06 -0.31 1.32 1.43 -1.26 0.29 118.68 120.97 2kh2 s LEU 73 Ca 0.33 0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 2kh2 s LEU 73 Cb 0.07 -2.38 0.08 0.00 0.03 0.00 0.00 46.19 43.99 2kh2 s LEU 73 CO 0.10 -0.18 -0.02 -0.54 0.23 0.00 0.00 176.35 175.95 2kh2 s LYS 74 N 2.03 1.88 -0.93 1.70 1.02 0.35 -4.74 119.74 121.05 2kh2 s LYS 74 Ca 0.14 -1.62 -0.04 0.00 0.02 0.00 0.00 55.97 54.47 2kh2 s LYS 74 Cb -0.16 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 2kh2 s LYS 74 CO 0.10 -0.77 0.80 -3.47 -0.92 0.00 0.00 175.35 171.10 2kh2 n ASP 75 N 4.36 -4.83 -1.41 2.83 -0.08 -1.26 -2.98 116.55 113.18 2kh2 n ASP 75 Ca -0.05 -0.58 -0.18 0.00 -1.51 0.00 0.00 54.79 52.46 2kh2 n ASP 75 Cb 0.42 -4.49 -0.08 0.00 2.34 0.00 0.00 41.12 39.31 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 -2.93 -5.50 -3.77 1.67 10.43 -1.26 -4.97 116.55 110.23 2kh2 n ASP 76 Ca -0.11 0.46 -0.20 0.00 2.57 0.00 0.00 54.79 57.50 2kh2 n ASP 76 Cb 0.61 -4.62 -0.17 0.00 1.84 0.00 0.00 41.12 38.78 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 -3.56 0.35 0.08 -1.24 2.47 -1.16 -5.12 119.74 111.57 2kh2 s LYS 77 Ca 0.00 0.16 -0.31 0.00 -1.56 0.00 0.00 55.97 54.26 2kh2 s LYS 77 Cb 0.00 -0.70 -0.09 0.00 -1.46 0.00 0.00 37.83 35.58 2kh2 s LYS 77 CO 0.00 -0.25 1.76 -2.14 0.16 0.00 0.00 175.35 174.88 2kh2 s PRO 78 N 1.68 4.17 0.12 4.03 0.02 -1.26 -0.49 135.00 143.26 2kh2 s PRO 78 Ca -0.00 2.45 0.01 0.00 0.02 0.00 0.00 61.00 63.48 2kh2 s PRO 78 Cb -0.13 -3.70 -0.04 0.00 0.02 0.00 0.00 34.50 30.66 2kh2 s PRO 78 CO -0.03 -0.81 -0.02 0.99 -0.33 0.00 0.00 177.00 176.80 2kh2 s THR 79 N 3.00 0.49 0.02 0.99 2.01 0.15 -4.67 115.64 117.63 2kh2 s THR 79 Ca 0.78 -1.92 -0.04 0.00 0.31 0.00 0.00 61.69 60.82 2kh2 s THR 79 Cb -0.42 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 2kh2 s THR 79 CO 0.35 -0.71 0.23 -0.22 -0.69 0.00 0.00 174.62 173.57 2kh2 s LEU 80 N -3.06 4.36 0.24 4.42 2.96 -1.26 -1.35 118.68 124.99 2kh2 s LEU 80 Ca 0.16 0.43 -0.14 0.00 -0.22 0.00 0.00 54.13 54.37 2kh2 s LEU 80 Cb 0.06 -2.73 0.00 0.00 0.50 0.00 0.00 46.19 44.02 2kh2 s LEU 80 CO -0.02 0.23 0.50 0.00 -1.32 0.00 0.00 176.35 175.74 2kh2 s GLN 81 N -2.00 1.53 -0.38 1.98 -2.07 0.11 -4.89 119.66 113.94 2kh2 s GLN 81 Ca 0.29 -1.17 -0.13 0.00 -1.82 0.00 0.00 55.36 52.54 2kh2 s GLN 81 Cb -0.13 0.49 0.02 0.00 -1.09 0.00 0.00 33.01 32.30 2kh2 s GLN 81 CO 0.19 -0.64 0.24 -0.51 -1.32 0.00 0.00 175.29 173.25 2kh2 s LEU 82 N -2.98 4.82 -0.26 2.60 2.01 -1.26 -0.11 118.68 123.50 2kh2 s LEU 82 Ca 0.19 -0.88 -0.11 0.00 0.01 0.00 0.00 54.13 53.33 2kh2 s LEU 82 Cb -0.01 -2.08 -0.05 0.00 0.01 0.00 0.00 46.19 44.06 2kh2 s LEU 82 CO 0.07 -0.39 0.20 -0.70 1.01 0.00 0.00 176.35 176.53 2kh2 s GLU 83 N 1.62 4.01 -0.29 1.70 2.12 0.29 -4.87 118.70 123.28 2kh2 s GLU 83 Ca 0.04 -0.26 -0.28 0.00 0.36 0.00 0.00 54.97 54.82 2kh2 s GLU 83 Cb -0.19 -3.61 0.01 0.00 0.26 0.00 0.00 34.13 30.60 2kh2 s GLU 83 CO 0.08 -0.09 1.03 -1.54 -0.54 0.00 0.00 175.26 174.20 2kh2 s SER 84 N 1.46 6.96 0.31 -1.70 1.04 -1.26 -2.22 113.70 118.30 2kh2 s SER 84 Ca 0.08 1.13 0.11 0.00 0.48 0.00 0.00 55.95 57.74 2kh2 s SER 84 Cb -0.15 -2.53 -0.06 0.00 0.10 0.00 0.00 66.02 63.39 2kh2 s SER 84 CO 0.08 -0.77 -0.13 0.68 0.98 0.00 0.00 173.24 174.08 2kh2 s VAL 85 N 3.41 2.43 0.04 5.02 -7.23 -0.85 -5.05 120.40 118.16 2kh2 s VAL 85 Ca 0.43 -2.27 -0.34 0.00 -1.81 0.00 0.00 61.98 57.99 2kh2 s VAL 85 Cb -0.13 -2.50 -0.13 0.00 0.56 0.00 0.00 36.38 34.17 2kh2 s VAL 85 CO 0.12 -0.30 1.73 -0.67 -0.31 0.00 0.00 175.10 175.67 2kh2 n ASP 86 N -0.73 3.29 0.23 4.85 2.03 -1.26 -4.79 116.55 120.16 2kh2 n ASP 86 Ca -0.05 1.03 0.16 0.00 0.52 0.00 0.00 54.79 56.45 2kh2 n ASP 86 Cb 0.62 -1.40 0.76 0.00 -0.72 0.00 0.00 41.12 40.37 2kh2 n ASP 86 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2kh2 h PRO 87 N 7.62 0.00 0.00 -0.67 0.13 -1.94 -1.70 132.00 135.44 2kh2 h PRO 87 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 2kh2 h PRO 87 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2kh2 h PRO 87 CO 0.92 0.00 -1.84 0.36 -0.23 0.00 0.00 178.00 177.20 2kh2 n LYS 88 N -2.68 0.62 0.00 0.86 2.85 -1.26 -4.34 118.16 114.21 2kh2 n LYS 88 Ca -0.00 -0.14 0.12 0.00 -1.05 0.00 0.00 58.31 57.23 2kh2 n LYS 88 Cb 0.16 -1.42 0.24 0.00 -0.65 0.00 0.00 35.03 33.36 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 -2.17 1.16 -3.98 -5.58 3.02 -1.02 -4.89 115.26 101.80 2kh2 n ASN 89 Ca -0.06 -0.93 -0.14 0.00 -0.03 0.00 0.00 54.58 53.42 2kh2 n ASN 89 Cb 0.53 0.29 -0.13 0.00 -0.61 0.00 0.00 39.78 39.85 2kh2 n ASN 89 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2kh2 s TYR 90 N -2.61 0.44 0.29 3.10 1.51 -0.67 -4.53 117.35 114.88 2kh2 s TYR 90 Ca 0.20 -0.25 -0.03 0.00 -1.01 0.00 0.00 57.07 55.98 2kh2 s TYR 90 Cb 0.18 -0.27 0.06 0.00 -0.11 0.00 0.00 41.96 41.82 2kh2 s TYR 90 CO 0.58 -0.05 0.40 -0.35 -1.11 0.00 0.00 175.55 175.02 2kh2 n PRO 91 N 2.38 -0.10 -4.03 -1.71 -0.04 -1.26 -4.71 135.00 125.53 2kh2 n PRO 91 Ca -0.17 -0.77 -0.10 0.00 -0.04 0.00 0.00 63.50 62.42 2kh2 n PRO 91 Cb 0.57 -0.36 -0.07 0.00 -0.04 0.00 0.00 33.50 33.61 2kh2 n PRO 91 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2kh2 s LYS 92 N -3.68 1.38 0.16 0.54 -2.85 -1.26 -5.06 119.74 108.96 2kh2 s LYS 92 Ca 0.24 -1.30 -0.15 0.00 -1.00 0.00 0.00 55.97 53.75 2kh2 s LYS 92 Cb -0.01 0.41 0.05 0.00 -2.06 0.00 0.00 37.83 36.22 2kh2 s LYS 92 CO 0.16 -0.54 1.81 -0.22 0.10 0.00 0.00 175.35 176.66 2kh2 h LYS 93 N 2.40 0.52 -4.55 1.78 1.63 -1.97 -3.36 116.57 113.02 2kh2 h LYS 93 Ca -0.30 -0.03 -0.68 0.00 -0.85 0.00 0.00 60.65 58.79 2kh2 h LYS 93 Cb 1.24 -0.12 -0.36 0.00 -0.60 0.00 0.00 32.23 32.40 2kh2 h LYS 93 CO 0.42 0.34 -0.60 0.21 -3.45 0.00 0.00 179.45 176.38 2kh2 s LYS 94 N -6.15 1.84 0.69 1.90 2.47 -1.26 -3.94 119.74 115.29 2kh2 s LYS 94 Ca -0.13 -1.84 -0.06 0.00 -1.56 0.00 0.00 55.97 52.38 2kh2 s LYS 94 Cb 0.12 -3.47 0.06 0.00 -1.46 0.00 0.00 37.83 33.07 2kh2 s LYS 94 CO 0.73 -1.03 0.99 -1.64 0.16 0.00 0.00 175.35 174.56 2kh2 s MET 95 N 1.07 2.23 0.62 4.03 -1.94 -1.26 -5.05 119.30 119.00 2kh2 s MET 95 Ca 0.09 -0.30 -0.17 0.00 -1.71 0.00 0.00 55.69 53.60 2kh2 s MET 95 Cb -0.22 -2.20 -0.02 0.00 2.01 0.00 0.00 34.83 34.41 2kh2 s MET 95 CO -0.05 -1.19 1.14 -1.21 -0.01 0.00 0.00 175.02 173.70 2kh2 s GLU 96 N -5.21 2.91 0.53 2.03 8.01 -1.26 -4.87 118.70 120.85 2kh2 s GLU 96 Ca 0.60 1.58 0.19 0.00 0.01 0.00 0.00 54.97 57.35 2kh2 s GLU 96 Cb -0.11 -1.95 1.37 0.00 -4.31 0.00 0.00 34.13 29.13 2kh2 s GLU 96 CO 0.44 -1.20 2.15 -0.22 0.01 0.00 0.00 175.26 176.45 2kh2 h LYS 97 N 0.49 0.00 0.00 1.61 1.63 -1.97 0.54 116.57 118.88 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 1.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 2kh2 h LYS 97 CO 0.55 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 179.44 2kh2 n ARG 98 N -4.41 0.38 0.00 1.90 1.85 -1.26 -2.81 116.66 112.31 2kh2 n ARG 98 Ca -0.02 0.02 0.04 0.00 -1.00 0.00 0.00 57.85 56.89 2kh2 n ARG 98 Cb 0.13 -1.50 0.02 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 -1.29 0.00 -3.48 2.89 3.72 0.14 -1.20 117.46 118.24 2kh2 n PHE 99 Ca 0.13 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.15 2kh2 n PHE 99 Cb 0.22 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.67 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 -0.78 5.24 0.03 -4.37 1.01 -0.96 -4.16 120.40 116.41 2kh2 s VAL 100 Ca 0.08 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.50 2kh2 s VAL 100 Cb 0.06 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2kh2 s VAL 100 CO 0.12 0.22 0.03 -0.36 0.00 0.00 0.00 175.10 175.11 2kh2 s PHE 101 N 1.79 3.12 -0.53 5.22 0.40 0.84 -2.69 117.98 126.12 2kh2 s PHE 101 Ca 0.12 0.08 -0.15 0.00 -0.60 0.00 0.00 56.93 56.39 2kh2 s PHE 101 Cb -0.15 -1.65 0.13 0.00 0.51 0.00 0.00 43.02 41.85 2kh2 s PHE 101 CO 0.09 0.49 0.47 -0.80 0.70 0.00 0.00 175.22 176.17 2kh2 s ASN 102 N -1.86 6.09 -0.66 1.36 0.02 0.24 -1.18 114.94 118.95 2kh2 s ASN 102 Ca 0.23 -1.82 -0.27 0.00 -1.02 0.00 0.00 52.86 49.98 2kh2 s ASN 102 Cb -0.12 -2.17 0.03 0.00 0.02 0.00 0.00 41.25 39.01 2kh2 s ASN 102 CO 0.14 -0.82 1.30 -0.75 0.02 0.00 0.00 177.10 176.98 2kh2 s LYS 103 N 1.55 3.29 0.01 -0.60 2.20 -0.38 -0.78 119.74 125.03 2kh2 s LYS 103 Ca 0.04 0.06 -0.11 0.00 -0.36 0.00 0.00 55.97 55.59 2kh2 s LYS 103 Cb -0.29 -4.13 -0.05 0.00 -1.51 0.00 0.00 37.83 31.85 2kh2 s LYS 103 CO 0.02 -1.99 0.35 0.42 -0.36 0.00 0.00 175.35 173.79 2kh2 s ILE 104 N 5.67 5.16 -0.52 5.43 1.01 0.71 -1.39 121.20 137.27 2kh2 s ILE 104 Ca 0.41 0.52 0.04 0.00 0.00 0.00 0.00 60.65 61.62 2kh2 s ILE 104 Cb -0.08 -3.62 0.14 0.00 0.01 0.00 0.00 42.46 38.90 2kh2 s ILE 104 CO 0.20 0.45 0.30 -1.61 0.00 0.00 0.00 174.94 174.29 2kh2 s GLU 105 N -1.46 1.78 0.07 2.79 2.02 -0.89 -0.26 118.70 122.75 2kh2 s GLU 105 Ca 0.26 -2.53 -0.25 0.00 0.02 0.00 0.00 54.97 52.47 2kh2 s GLU 105 Cb -0.15 -2.90 -0.16 0.00 0.10 0.00 0.00 34.13 31.03 2kh2 s GLU 105 CO 0.14 -1.18 1.65 -0.84 0.02 0.00 0.00 175.26 175.05 2kh2 h ILE 106 N 5.14 0.90 0.00 -1.63 3.07 -1.90 -3.47 117.51 119.61 2kh2 h ILE 106 Ca 0.01 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 66.28 2kh2 h ILE 106 Cb 0.88 0.99 0.00 0.00 -0.27 0.00 0.00 36.82 38.42 2kh2 h ILE 106 CO 0.61 0.03 0.00 -0.46 -1.05 0.00 0.00 178.15 177.28 2kh2 n ASN 107 N -5.14 0.00 -0.11 2.16 0.23 -1.26 -5.01 115.26 106.14 2kh2 n ASN 107 Ca -0.08 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.84 2kh2 n ASN 107 Cb 0.12 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.79 2kh2 n ASN 107 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 2kh2 h ASN 108 N 0.00 0.82 -1.10 0.53 2.35 -2.00 -3.45 115.58 112.73 2kh2 h ASN 108 Ca 0.00 -0.45 -0.53 0.00 -0.55 0.00 0.00 56.30 54.77 2kh2 h ASN 108 Cb 0.00 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.10 2kh2 h ASN 108 CO 0.00 1.10 -0.33 -1.59 -1.65 0.00 0.00 177.43 174.96 2kh2 s LYS 109 N -4.44 2.38 0.15 0.81 0.00 -1.26 -5.00 119.74 112.38 2kh2 s LYS 109 Ca -0.12 -1.75 0.06 0.00 0.00 0.00 0.00 55.97 54.16 2kh2 s LYS 109 Cb 0.10 -2.27 -0.04 0.00 0.00 0.00 0.00 37.83 35.62 2kh2 s LYS 109 CO 0.84 -0.41 -0.14 -0.48 0.00 0.00 0.00 175.35 175.16 2kh2 s LEU 110 N -4.22 2.47 0.05 2.77 2.34 -0.25 -3.53 118.68 118.32 2kh2 s LEU 110 Ca 0.44 -0.91 0.08 0.00 0.06 0.00 0.00 54.13 53.79 2kh2 s LEU 110 Cb -0.03 -0.57 -0.03 0.00 -0.56 0.00 0.00 46.19 45.00 2kh2 s LEU 110 CO 0.26 -0.17 -0.21 -1.61 -1.06 0.00 0.00 176.35 173.55 2kh2 s GLU 111 N -3.14 1.41 -0.41 1.48 2.02 0.64 0.16 118.70 120.86 2kh2 s GLU 111 Ca 0.15 -0.99 -0.08 0.00 0.02 0.00 0.00 54.97 54.07 2kh2 s GLU 111 Cb -0.02 -1.55 0.08 0.00 0.10 0.00 0.00 34.13 32.73 2kh2 s GLU 111 CO 0.04 0.39 0.25 -0.06 0.02 0.00 0.00 175.26 175.90 2kh2 s PHE 112 N -0.84 3.36 0.22 1.61 0.08 -1.26 -0.20 117.98 120.95 2kh2 s PHE 112 Ca 0.08 -1.64 -0.07 0.00 0.12 0.00 0.00 56.93 55.42 2kh2 s PHE 112 Cb -0.09 -2.97 -0.06 0.00 -0.57 0.00 0.00 43.02 39.33 2kh2 s PHE 112 CO 0.02 -0.86 0.49 -2.00 -0.10 0.00 0.00 175.22 172.77 2kh2 s GLU 113 N 1.39 3.70 -0.11 0.44 2.12 0.04 -1.02 118.70 125.25 2kh2 s GLU 113 Ca 0.03 0.08 -0.21 0.00 0.36 0.00 0.00 54.97 55.24 2kh2 s GLU 113 Cb -0.23 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 2kh2 s GLU 113 CO 0.01 0.34 0.59 0.45 -0.54 0.00 0.00 175.26 176.11 2kh2 s SER 114 N -2.60 6.80 0.24 -1.70 0.15 0.34 0.79 113.70 117.72 2kh2 s SER 114 Ca 0.44 0.96 -0.00 0.00 0.70 0.00 0.00 55.95 58.05 2kh2 s SER 114 Cb -0.11 -2.35 0.29 0.00 -1.71 0.00 0.00 66.02 62.14 2kh2 s SER 114 CO 0.24 -0.10 1.65 0.00 1.20 0.00 0.00 173.24 176.23 2kh2 h ALA 115 N 6.89 0.95 -0.78 5.45 0.00 -1.75 -2.92 119.26 127.09 2kh2 h ALA 115 Ca -0.39 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.07 2kh2 h ALA 115 Cb 1.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2kh2 h ALA 115 CO 0.76 0.61 0.29 0.37 0.00 0.00 0.00 179.25 181.28 2kh2 h GLN 116 N 0.47 1.19 -3.69 0.00 5.75 -1.78 -3.38 115.11 113.67 2kh2 h GLN 116 Ca 0.06 -0.23 -0.62 0.00 -0.15 0.00 0.00 58.65 57.71 2kh2 h GLN 116 Cb 0.79 -0.18 -0.40 0.00 1.07 0.00 0.00 27.48 28.76 2kh2 h GLN 116 CO 0.06 0.98 -0.73 -0.06 -2.65 0.00 0.00 178.83 176.43 2kh2 s PHE 117 N -5.50 2.51 0.35 3.99 0.08 -1.11 -5.09 117.98 113.20 2kh2 s PHE 117 Ca -0.12 -2.43 -0.29 0.00 0.12 0.00 0.00 56.93 54.21 2kh2 s PHE 117 Cb 0.15 -2.22 -0.11 0.00 -0.57 0.00 0.00 43.02 40.27 2kh2 s PHE 117 CO 0.84 -0.86 1.52 -2.30 -0.10 0.00 0.00 175.22 174.33 2kh2 n PRO 118 N 4.13 2.67 -0.99 0.24 -0.02 -1.21 -1.85 135.00 137.97 2kh2 n PRO 118 Ca 0.03 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2kh2 n PRO 118 Cb 0.39 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 2kh2 n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2kh2 n ASN 119 N 1.08 -0.47 -4.29 2.55 5.03 -1.26 -4.99 115.26 112.92 2kh2 n ASN 119 Ca 0.04 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.09 2kh2 n ASN 119 Cb 0.38 -0.12 -0.10 0.00 -1.02 0.00 0.00 39.78 38.92 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 -3.65 3.32 0.22 3.10 0.52 -0.77 -4.28 118.94 117.40 2kh2 s TRP 120 Ca 0.00 -1.43 0.07 0.00 0.02 0.00 0.00 56.10 54.76 2kh2 s TRP 120 Cb 0.00 -2.85 -0.04 0.00 -1.15 0.00 0.00 33.47 29.43 2kh2 s TRP 120 CO 0.00 -0.81 0.11 0.71 0.02 0.00 0.00 176.95 176.98 2kh2 s TYR 121 N 1.45 3.00 0.06 -1.98 2.02 0.57 -0.51 117.35 121.95 2kh2 s TYR 121 Ca 0.03 -0.11 -0.31 0.00 -0.37 0.00 0.00 57.07 56.31 2kh2 s TYR 121 Cb -0.22 -1.39 -0.08 0.00 -0.40 0.00 0.00 41.96 39.87 2kh2 s TYR 121 CO 0.03 0.54 1.64 0.42 -1.57 0.00 0.00 175.55 176.61 2kh2 s ILE 122 N -1.99 3.12 0.11 2.71 1.01 -0.19 -0.75 121.20 125.21 2kh2 s ILE 122 Ca 0.31 0.53 0.09 0.00 0.00 0.00 0.00 60.65 61.58 2kh2 s ILE 122 Cb -0.08 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 2kh2 s ILE 122 CO 0.22 -0.01 -0.22 -0.44 0.00 0.00 0.00 174.94 174.50 2kh2 s SER 123 N 2.47 2.66 0.08 3.58 0.01 0.74 -4.33 113.70 118.91 2kh2 s SER 123 Ca 0.73 -0.70 0.06 0.00 1.31 0.00 0.00 55.95 57.35 2kh2 s SER 123 Cb -0.39 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 65.66 2kh2 s SER 123 CO 0.32 0.07 -0.15 0.42 0.41 0.00 0.00 173.24 174.31 2kh2 s THR 124 N -1.17 1.24 0.51 1.44 -4.23 -0.23 -2.17 115.64 111.03 2kh2 s THR 124 Ca 0.08 -1.41 -0.04 0.00 -1.18 0.00 0.00 61.69 59.14 2kh2 s THR 124 Cb -0.10 -1.22 -0.01 0.00 1.34 0.00 0.00 72.50 72.51 2kh2 s THR 124 CO 0.05 -0.23 0.80 -0.44 -0.54 0.00 0.00 174.62 174.25 2kh2 s SER 125 N -1.88 5.90 0.47 3.99 0.01 -1.26 0.14 113.70 121.07 2kh2 s SER 125 Ca 0.01 0.68 0.26 0.00 1.31 0.00 0.00 55.95 58.21 2kh2 s SER 125 Cb -0.09 -1.87 0.74 0.00 0.21 0.00 0.00 66.02 65.01 2kh2 s SER 125 CO 0.03 -0.78 1.75 1.56 0.41 0.00 0.00 173.24 176.20 2kh2 h GLN 126 N 0.13 0.00 -7.19 12.44 1.08 -1.97 -3.46 115.11 116.14 2kh2 h GLN 126 Ca -0.46 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.23 2kh2 h GLN 126 Cb 1.24 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 28.75 2kh2 h GLN 126 CO 0.60 0.07 0.38 0.00 -0.95 0.00 0.00 178.83 178.93 2kh2 s ALA 127 N -3.40 2.57 0.16 3.87 0.00 -1.26 -5.02 121.76 118.68 2kh2 s ALA 127 Ca 0.04 0.53 -0.22 0.00 0.00 0.00 0.00 51.96 52.31 2kh2 s ALA 127 Cb 0.07 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 2kh2 s ALA 127 CO 0.63 -1.10 0.71 -2.00 0.00 0.00 0.00 175.76 174.00 2kh2 s GLU 128 N -4.02 4.38 -1.00 0.00 2.56 -1.26 -4.00 118.70 115.36 2kh2 s GLU 128 Ca 0.67 0.97 -0.02 0.00 0.00 0.00 0.00 54.97 56.59 2kh2 s GLU 128 Cb -0.20 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 32.79 2kh2 s GLU 128 CO 0.39 0.54 0.21 -1.71 -0.56 0.00 0.00 175.26 174.12 2kh2 n ASN 129 N 1.36 -4.17 -4.75 -1.70 5.15 -1.17 -5.01 115.26 104.97 2kh2 n ASN 129 Ca -0.06 -0.10 -0.35 0.00 -0.60 0.00 0.00 54.58 53.46 2kh2 n ASN 129 Cb 0.50 -3.19 -0.08 0.00 -0.53 0.00 0.00 39.78 36.49 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 -4.97 3.91 1.06 1.20 -1.94 -1.19 -4.85 119.30 112.51 2kh2 s MET 130 Ca 0.10 -0.22 -0.12 0.00 -1.71 0.00 0.00 55.69 53.74 2kh2 s MET 130 Cb -0.05 -3.30 0.22 0.00 2.01 0.00 0.00 34.83 33.72 2kh2 s MET 130 CO 0.13 0.44 1.07 -2.14 -0.01 0.00 0.00 175.02 174.51 2kh2 s PRO 131 N -0.07 -0.09 -0.02 2.03 0.02 -1.26 -0.54 135.00 135.07 2kh2 s PRO 131 Ca 0.09 1.04 -0.10 0.00 0.02 0.00 0.00 61.00 62.06 2kh2 s PRO 131 Cb -0.11 -1.63 -0.05 0.00 0.02 0.00 0.00 34.50 32.72 2kh2 s PRO 131 CO 0.00 -3.23 0.30 0.08 -0.33 0.00 0.00 177.00 173.82 2kh2 s VAL 132 N -2.58 5.23 0.35 3.83 1.01 -0.49 -4.58 120.40 123.16 2kh2 s VAL 132 Ca 0.67 0.45 -0.01 0.00 0.00 0.00 0.00 61.98 63.09 2kh2 s VAL 132 Cb -0.23 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.57 2kh2 s VAL 132 CO 0.62 0.49 0.47 2.22 0.00 0.00 0.00 175.10 178.90 2kh2 n PHE 133 N 1.54 -1.40 -3.96 5.22 1.16 -0.92 -4.85 117.46 114.25 2kh2 n PHE 133 Ca -0.14 -2.40 -0.35 0.00 -1.87 0.00 0.00 57.45 52.69 2kh2 n PHE 133 Cb 0.53 0.53 -0.08 0.00 -1.61 0.00 0.00 39.48 38.85 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 4.00 0.15 5.98 2.96 -1.26 -0.19 118.68 130.32 2kh2 s LEU 134 Ca 0.30 0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 2kh2 s LEU 134 Cb -0.01 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2kh2 s LEU 134 CO 0.22 0.25 0.03 -0.83 -1.32 0.00 0.00 176.35 174.70 2kh2 s GLY 135 N -0.10 1.09 -0.19 7.98 0.00 0.07 -4.85 107.32 111.32 2kh2 s GLY 135 Ca 0.08 -1.52 0.12 0.00 0.00 0.00 0.00 44.72 43.40 2kh2 s GLY 135 CO 0.01 -1.44 1.21 0.61 0.00 0.00 0.00 173.10 173.49 2kh2 n GLY 136 N -0.16 4.77 2.76 0.20 0.00 -1.26 -0.32 105.19 111.19 2kh2 n GLY 136 Ca -0.06 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.96 2.27 -2.30 2.61 -1.04 -1.26 -4.97 114.28 108.63 2kh2 n THR 137 Ca 0.18 -5.09 -0.42 0.00 -2.04 0.00 0.00 64.05 56.68 2kh2 n THR 137 Cb 0.74 -2.18 -0.03 0.00 -1.82 0.00 0.00 70.33 67.04 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 -1.90 4.30 -0.35 -2.82 2.20 -1.26 -2.79 119.74 117.11 2kh2 s LYS 138 Ca 0.31 1.87 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 2kh2 s LYS 138 Cb 0.03 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 2kh2 s LYS 138 CO -0.09 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 2kh2 n GLY 139 N 3.56 0.40 0.00 5.54 0.00 -1.26 -5.02 105.19 108.41 2kh2 n GLY 139 Ca 0.12 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2kh2 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 140 N -1.62 0.75 0.09 -0.02 0.00 -1.12 -5.04 105.19 98.23 2kh2 n GLY 140 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 -7.01 1.61 7.50 -1.96 -3.47 115.11 111.79 2kh2 h GLN 141 Ca 0.00 0.00 -0.48 0.00 0.50 0.00 0.00 58.65 58.67 2kh2 h GLN 141 Cb 0.00 0.00 0.03 0.00 0.05 0.00 0.00 27.48 27.56 2kh2 h GLN 141 CO 0.00 0.94 0.42 -0.51 -1.50 0.00 0.00 178.83 178.17 2kh2 s ASP 142 N -6.61 6.45 -0.09 1.46 1.01 -1.26 -4.64 116.67 113.00 2kh2 s ASP 142 Ca -0.25 2.06 -0.27 0.00 0.71 0.00 0.00 52.55 54.80 2kh2 s ASP 142 Cb 0.03 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 2kh2 s ASP 142 CO 0.59 -0.71 0.87 -0.63 0.21 0.00 0.00 175.17 175.50 2kh2 s ILE 143 N -1.74 4.90 -0.20 0.77 1.01 0.12 -4.61 121.20 121.46 2kh2 s ILE 143 Ca 0.63 1.78 0.09 0.00 0.00 0.00 0.00 60.65 63.14 2kh2 s ILE 143 Cb -0.22 -4.19 -0.11 0.00 0.01 0.00 0.00 42.46 37.95 2kh2 s ILE 143 CO 0.26 0.12 0.27 0.35 0.00 0.00 0.00 174.94 175.94 2kh2 n THR 144 N 4.23 0.00 -3.49 2.92 -2.24 -1.26 -1.07 114.28 113.37 2kh2 n THR 144 Ca 0.04 -0.25 -0.38 0.00 -2.27 0.00 0.00 64.05 61.20 2kh2 n THR 144 Cb 0.50 0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 69.31 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 -2.42 6.82 0.19 3.42 -4.77 -1.26 -4.21 116.67 114.44 2kh2 s ASP 145 Ca -0.00 0.98 -0.01 0.00 -3.30 0.00 0.00 52.55 50.22 2kh2 s ASP 145 Cb 0.06 -2.25 -0.04 0.00 -1.09 0.00 0.00 42.92 39.59 2kh2 s ASP 145 CO 0.35 0.31 0.10 -0.36 0.70 0.00 0.00 175.17 176.27 2kh2 s PHE 146 N -1.11 1.16 0.16 2.11 0.08 0.12 -3.88 117.98 116.63 2kh2 s PHE 146 Ca 0.25 -1.31 0.08 0.00 0.12 0.00 0.00 56.93 56.08 2kh2 s PHE 146 Cb -0.17 -0.60 -0.04 0.00 -0.57 0.00 0.00 43.02 41.64 2kh2 s PHE 146 CO 0.14 -0.55 -0.08 0.95 -0.10 0.00 0.00 175.22 175.58 2kh2 s THR 147 N -4.06 3.30 -0.74 0.64 -4.23 0.48 -1.09 115.64 109.94 2kh2 s THR 147 Ca 0.35 -1.53 0.03 0.00 -1.18 0.00 0.00 61.69 59.36 2kh2 s THR 147 Cb 0.07 -2.62 0.33 0.00 1.34 0.00 0.00 72.50 71.62 2kh2 s THR 147 CO 0.10 -0.06 1.22 0.80 -0.54 0.00 0.00 174.62 176.14 2kh2 n MET 148 N 0.18 3.91 -1.77 3.99 1.56 -1.26 -3.27 117.12 120.45 2kh2 n MET 148 Ca -0.11 -4.78 -0.43 0.00 -0.27 0.00 0.00 57.70 52.11 2kh2 n MET 148 Cb 0.55 -2.32 -0.03 0.00 2.15 0.00 0.00 33.22 33.57 2kh2 n MET 148 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2kh2 s GLN 149 N -3.64 3.56 0.21 2.12 1.11 -1.10 -4.79 119.66 117.13 2kh2 s GLN 149 Ca 0.45 2.04 -0.30 0.00 0.01 0.00 0.00 55.36 57.56 2kh2 s GLN 149 Cb 0.23 -4.23 -0.08 0.00 -1.01 0.00 0.00 33.01 27.93 2kh2 s GLN 149 CO -0.12 -1.61 0.98 -0.06 0.01 0.00 0.00 175.29 174.49 2kh2 s PHE 150 N 6.49 3.87 0.32 0.91 0.08 -1.26 0.25 117.98 128.63 2kh2 s PHE 150 Ca 0.89 1.84 0.07 0.00 0.12 0.00 0.00 56.93 59.85 2kh2 s PHE 150 Cb -0.33 -3.06 -0.02 0.00 -0.57 0.00 0.00 43.02 39.05 2kh2 s PHE 150 CO 0.35 0.20 0.38 0.14 -0.10 0.00 0.00 175.22 176.19 2kh2 s VAL 151 N -0.82 4.04 -1.35 -0.44 -7.23 -1.23 -4.92 120.40 108.46 2kh2 s VAL 151 Ca 0.44 -1.15 -0.14 0.00 -1.81 0.00 0.00 61.98 59.32 2kh2 s VAL 151 Cb -0.26 -3.38 -0.03 0.00 0.56 0.00 0.00 36.38 33.27 2kh2 s VAL 151 CO 0.33 -0.19 2.34 -1.20 -0.31 0.00 0.00 175.10 176.06 2kh2 n SER 152 N -1.49 4.80 0.00 4.85 7.64 -1.26 -4.90 113.62 123.25 2kh2 n SER 152 Ca -0.02 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.14 2kh2 n SER 152 Cb 0.59 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83