#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 0.40 -5.18 0.00 0.11 -2.07 -3.41 132.00 121.86 2kh2 h PRO 2 Ca 0.00 -0.15 -0.67 0.00 0.11 0.00 0.00 66.00 65.29 2kh2 h PRO 2 Cb 0.00 -0.03 -0.34 0.00 0.11 0.00 0.00 31.00 30.75 2kh2 h PRO 2 CO 0.00 0.63 -0.86 0.54 -0.21 0.00 0.00 178.00 178.10 2kh2 s VAL 3 N -4.49 2.14 0.14 3.15 0.11 -1.26 -5.07 120.40 115.13 2kh2 s VAL 3 Ca -0.06 -0.95 0.06 0.00 -2.93 0.00 0.00 61.98 58.10 2kh2 s VAL 3 Cb 0.14 -1.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.08 2kh2 s VAL 3 CO 0.78 0.54 0.03 -0.13 -3.33 0.00 0.00 175.10 172.99 2kh2 s ARG 4 N 0.88 2.56 -0.07 1.54 0.52 -1.26 -5.00 118.95 118.11 2kh2 s ARG 4 Ca -0.05 -0.96 -0.07 0.00 -0.52 0.00 0.00 55.73 54.13 2kh2 s ARG 4 Cb -0.15 -2.49 0.02 0.00 0.52 0.00 0.00 34.95 32.85 2kh2 s ARG 4 CO -0.03 0.49 0.20 -1.12 0.02 0.00 0.00 175.30 174.86 2kh2 s SER 5 N -2.75 -0.21 0.31 0.23 0.01 -1.26 -1.90 113.70 108.13 2kh2 s SER 5 Ca 0.28 0.40 0.09 0.00 1.31 0.00 0.00 55.95 58.03 2kh2 s SER 5 Cb -0.10 0.41 -0.06 0.00 0.21 0.00 0.00 66.02 66.48 2kh2 s SER 5 CO 0.19 -0.08 -0.12 -1.48 0.41 0.00 0.00 173.24 172.17 2kh2 s LEU 6 N 0.07 2.63 -0.10 2.44 0.05 -0.78 -4.92 118.68 118.07 2kh2 s LEU 6 Ca -0.00 -1.14 0.00 0.00 0.05 0.00 0.00 54.13 53.04 2kh2 s LEU 6 Cb -0.02 -0.93 -0.02 0.00 -2.05 0.00 0.00 46.19 43.17 2kh2 s LEU 6 CO 0.00 -0.17 -0.10 0.20 -0.55 0.00 0.00 176.35 175.74 2kh2 s ASN 7 N -3.53 4.32 0.16 1.48 0.01 -1.26 0.08 114.94 116.20 2kh2 s ASN 7 Ca 0.31 -0.19 -0.19 0.00 -0.71 0.00 0.00 52.86 52.07 2kh2 s ASN 7 Cb 0.01 -1.39 0.04 0.00 0.41 0.00 0.00 41.25 40.32 2kh2 s ASN 7 CO 0.14 0.25 0.52 0.00 -1.51 0.00 0.00 177.10 176.50 2kh2 s THR 9 N -3.81 2.09 -0.03 0.00 2.01 0.85 -0.28 115.64 116.47 2kh2 s THR 9 Ca 0.04 -1.46 0.03 0.00 0.31 0.00 0.00 61.69 60.61 2kh2 s THR 9 Cb -0.00 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 2kh2 s THR 9 CO -0.09 0.26 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.23 2kh2 s LEU 10 N -1.46 2.90 -0.01 4.42 1.43 -1.26 -1.66 118.68 123.04 2kh2 s LEU 10 Ca 0.12 -0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 2kh2 s LEU 10 Cb -0.10 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 2kh2 s LEU 10 CO 0.03 0.33 -0.12 -0.13 0.23 0.00 0.00 176.35 176.69 2kh2 s ARG 11 N -0.94 1.05 0.87 1.70 0.52 -1.22 -3.65 118.95 117.28 2kh2 s ARG 11 Ca 0.13 -0.44 -0.15 0.00 -0.52 0.00 0.00 55.73 54.75 2kh2 s ARG 11 Cb -0.11 -1.00 0.21 0.00 0.52 0.00 0.00 34.95 34.57 2kh2 s ARG 11 CO 0.02 0.25 0.93 -0.40 0.02 0.00 0.00 175.30 176.12 2kh2 n ASP 12 N 2.86 -1.04 0.00 0.23 5.68 -0.43 -0.73 116.55 123.12 2kh2 n ASP 12 Ca -0.15 -1.17 0.02 0.00 -0.50 0.00 0.00 54.79 53.00 2kh2 n ASP 12 Cb 0.55 -0.79 0.11 0.00 -1.14 0.00 0.00 41.12 39.86 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2kh2 n SER 13 N -4.12 0.00 -0.51 -1.12 7.64 -1.24 -0.77 113.62 113.50 2kh2 n SER 13 Ca 0.12 0.35 0.05 0.00 1.01 0.00 0.00 58.87 60.40 2kh2 n SER 13 Cb 0.45 -0.39 0.10 0.00 -1.01 0.00 0.00 64.21 63.37 2kh2 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kh2 n GLN 14 N -1.39 1.78 -1.40 1.43 6.02 -1.26 -4.96 117.38 117.61 2kh2 n GLN 14 Ca 0.02 -1.61 -0.08 0.00 -0.01 0.00 0.00 57.00 55.32 2kh2 n GLN 14 Cb 0.05 -1.23 -0.03 0.00 1.02 0.00 0.00 30.24 30.05 2kh2 n GLN 14 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2kh2 n GLN 15 N 0.50 -0.58 -2.73 -1.09 1.13 0.05 -4.97 117.38 109.69 2kh2 n GLN 15 Ca 0.09 0.71 -0.41 0.00 -1.94 0.00 0.00 57.00 55.45 2kh2 n GLN 15 Cb 0.34 -4.57 -0.04 0.00 0.11 0.00 0.00 30.24 26.07 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 -2.99 4.70 0.18 -1.09 1.02 -1.26 -4.29 119.74 116.02 2kh2 s LYS 16 Ca 0.00 1.45 0.04 0.00 0.02 0.00 0.00 55.97 57.47 2kh2 s LYS 16 Cb 0.00 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 2kh2 s LYS 16 CO 0.00 0.22 0.27 -1.12 -0.92 0.00 0.00 175.35 173.81 2kh2 s SER 17 N -0.04 6.13 -0.12 2.83 0.01 0.48 -1.31 113.70 121.68 2kh2 s SER 17 Ca 0.47 0.06 -0.24 0.00 1.31 0.00 0.00 55.95 57.55 2kh2 s SER 17 Cb -0.23 -1.78 -0.03 0.00 0.21 0.00 0.00 66.02 64.19 2kh2 s SER 17 CO 0.30 0.02 0.75 -0.76 0.41 0.00 0.00 173.24 173.96 2kh2 s LEU 18 N -3.44 4.24 0.09 2.44 1.43 -1.24 -1.77 118.68 120.43 2kh2 s LEU 18 Ca 0.34 1.14 0.08 0.00 -1.03 0.00 0.00 54.13 54.66 2kh2 s LEU 18 Cb -0.10 -3.13 -0.03 0.00 0.03 0.00 0.00 46.19 42.96 2kh2 s LEU 18 CO 0.27 -0.26 -0.20 0.68 0.23 0.00 0.00 176.35 177.07 2kh2 s VAL 19 N 1.51 1.66 -0.45 -1.59 -7.23 0.91 -1.77 120.40 113.45 2kh2 s VAL 19 Ca 0.37 -1.46 -0.29 0.00 -1.81 0.00 0.00 61.98 58.79 2kh2 s VAL 19 Cb -0.17 -1.50 0.02 0.00 0.56 0.00 0.00 36.38 35.29 2kh2 s VAL 19 CO 0.15 -0.02 1.21 -0.04 -0.31 0.00 0.00 175.10 176.09 2kh2 s MET 20 N -1.76 3.71 0.00 4.82 -1.94 -1.26 -0.86 119.30 122.01 2kh2 s MET 20 Ca 0.06 0.70 0.00 0.00 -1.71 0.00 0.00 55.69 54.74 2kh2 s MET 20 Cb -0.10 -3.93 0.00 0.00 2.01 0.00 0.00 34.83 32.81 2kh2 s MET 20 CO 0.04 -1.40 0.19 0.45 -0.01 0.00 0.00 175.02 174.28 2kh2 n SER 21 N 8.03 0.00 -1.48 3.03 2.88 0.41 -4.95 113.62 121.54 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 0.49 -0.29 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 1.49 3.43 0.28 0.46 0.00 -1.14 -4.95 105.19 104.76 2kh2 n GLY 22 Ca 0.00 -2.13 0.04 0.00 0.00 0.00 0.00 46.02 43.93 2kh2 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kh2 h PRO 23 N 0.00 0.34 -0.18 1.61 0.13 -2.04 -3.13 132.00 128.73 2kh2 h PRO 23 Ca 0.00 -0.04 -0.19 0.00 -0.87 0.00 0.00 66.00 64.90 2kh2 h PRO 23 Cb 0.00 -0.07 -0.31 0.00 0.13 0.00 0.00 31.00 30.75 2kh2 h PRO 23 CO 0.00 0.30 -0.91 0.66 -0.23 0.00 0.00 178.00 177.82 2kh2 n TYR 24 N -4.42 0.59 -4.46 1.56 4.01 -1.26 -5.04 117.16 108.14 2kh2 n TYR 24 Ca 0.01 -1.29 -0.21 0.00 -0.16 0.00 0.00 57.90 56.25 2kh2 n TYR 24 Cb 0.13 -0.21 -0.15 0.00 -0.31 0.00 0.00 39.34 38.80 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 -1.99 1.08 -0.01 -0.72 2.12 -1.18 -4.48 118.70 113.51 2kh2 s GLU 25 Ca 0.35 -0.36 0.08 0.00 0.36 0.00 0.00 54.97 55.40 2kh2 s GLU 25 Cb 0.37 -0.99 -0.02 0.00 0.26 0.00 0.00 34.13 33.75 2kh2 s GLU 25 CO -0.09 0.14 -0.25 -0.51 -0.54 0.00 0.00 175.26 174.01 2kh2 s LEU 26 N 0.14 2.06 0.13 2.70 1.43 -1.26 -0.44 118.68 123.43 2kh2 s LEU 26 Ca -0.03 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 2kh2 s LEU 26 Cb -0.09 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 2kh2 s LEU 26 CO 0.01 0.30 -0.09 -0.54 0.23 0.00 0.00 176.35 176.25 2kh2 s LYS 27 N -0.62 1.00 -0.11 1.70 1.02 -0.04 -1.11 119.74 121.57 2kh2 s LYS 27 Ca 0.10 -1.41 0.03 0.00 0.02 0.00 0.00 55.97 54.71 2kh2 s LYS 27 Cb -0.10 -0.53 0.00 0.00 -0.52 0.00 0.00 37.83 36.69 2kh2 s LYS 27 CO -0.01 0.05 -0.22 0.00 -0.92 0.00 0.00 175.35 174.26 2kh2 s ALA 28 N -3.35 2.12 0.14 5.17 0.00 0.05 -0.06 121.76 125.83 2kh2 s ALA 28 Ca 0.15 -0.96 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 2kh2 s ALA 28 Cb 0.03 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 22.31 2kh2 s ALA 28 CO -0.01 0.16 0.35 -0.48 0.00 0.00 0.00 175.76 175.78 2kh2 s LEU 29 N 0.55 0.70 -0.00 0.00 0.05 -0.73 -3.15 118.68 116.10 2kh2 s LEU 29 Ca -0.14 -0.56 -0.30 0.00 0.05 0.00 0.00 54.13 53.17 2kh2 s LEU 29 Cb -0.17 1.56 -0.07 0.00 -2.05 0.00 0.00 46.19 45.47 2kh2 s LEU 29 CO 0.05 -0.88 1.64 -1.00 -0.55 0.00 0.00 176.35 175.61 2kh2 s HIS 30 N -3.87 2.21 -0.50 3.48 3.76 -1.26 -0.39 115.29 118.71 2kh2 s HIS 30 Ca 0.08 0.28 0.01 0.00 -0.15 0.00 0.00 55.06 55.28 2kh2 s HIS 30 Cb 0.02 -3.92 0.13 0.00 1.11 0.00 0.00 32.58 29.93 2kh2 s HIS 30 CO -0.07 -3.76 0.27 -1.17 -0.85 0.00 0.00 174.74 169.16 2kh2 s LEU 31 N 3.37 4.83 -0.23 0.89 2.96 -1.26 -4.91 118.68 124.33 2kh2 s LEU 31 Ca 0.73 -2.66 -0.04 0.00 -0.22 0.00 0.00 54.13 51.94 2kh2 s LEU 31 Cb -0.36 -1.73 0.08 0.00 0.50 0.00 0.00 46.19 44.68 2kh2 s LEU 31 CO 0.31 -0.35 0.09 -1.10 -1.32 0.00 0.00 176.35 173.98 2kh2 s GLN 32 N 0.21 0.29 0.00 1.98 -1.52 -1.26 -4.83 119.66 114.53 2kh2 s GLN 32 Ca 0.15 -0.41 0.00 0.00 -1.95 0.00 0.00 55.36 53.15 2kh2 s GLN 32 Cb -0.22 -1.67 0.00 0.00 -0.22 0.00 0.00 33.01 30.89 2kh2 s GLN 32 CO -0.03 -0.82 0.00 0.41 -0.25 0.00 0.00 175.29 174.60 2kh2 n GLY 33 N 5.18 0.05 1.17 3.09 0.00 -1.26 -4.86 105.19 108.55 2kh2 n GLY 33 Ca -0.06 -1.01 0.03 0.00 0.00 0.00 0.00 46.02 44.98 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 2.87 -0.22 1.61 -0.06 -1.26 -3.48 117.38 116.85 2kh2 n GLN 34 Ca 0.00 -1.51 0.06 0.00 -2.00 0.00 0.00 57.00 53.55 2kh2 n GLN 34 Cb 0.00 -1.87 0.16 0.00 -4.06 0.00 0.00 30.24 24.47 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 0.30 2.99 0.05 1.69 9.92 -1.26 -4.68 116.55 125.57 2kh2 n ASP 35 Ca 0.13 -2.52 0.08 0.00 -0.53 0.00 0.00 54.79 51.95 2kh2 n ASP 35 Cb 0.70 -0.33 0.52 0.00 -0.64 0.00 0.00 41.12 41.38 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 1.26 0.31 -0.06 -1.24 4.05 -1.88 -1.02 114.93 116.35 2kh2 h MET 36 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2kh2 h MET 36 Cb 0.98 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.71 2kh2 h MET 36 CO 0.08 0.20 0.00 0.39 0.23 0.00 0.00 176.91 177.81 2kh2 n GLU 37 N -4.48 1.36 0.00 0.39 -0.58 -1.26 -3.38 120.64 112.68 2kh2 n GLU 37 Ca 0.03 -0.54 0.14 0.00 -0.42 0.00 0.00 57.16 56.38 2kh2 n GLU 37 Cb 0.18 -1.39 0.64 0.00 -0.57 0.00 0.00 31.44 30.31 2kh2 n GLU 37 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2kh2 n GLN 38 N -0.28 0.49 -1.83 3.49 1.13 -0.39 -4.87 117.38 115.12 2kh2 n GLN 38 Ca 0.17 -0.11 -0.34 0.00 -1.94 0.00 0.00 57.00 54.78 2kh2 n GLN 38 Cb 0.21 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.11 2kh2 n GLN 38 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 2kh2 s GLN 39 N -2.59 2.83 0.03 -1.09 -2.07 -1.22 -4.70 119.66 110.86 2kh2 s GLN 39 Ca 0.26 1.51 -0.16 0.00 -1.82 0.00 0.00 55.36 55.15 2kh2 s GLN 39 Cb 0.20 -1.94 -0.06 0.00 -1.09 0.00 0.00 33.01 30.11 2kh2 s GLN 39 CO 0.49 -1.24 0.47 0.08 -1.32 0.00 0.00 175.29 173.77 2kh2 s VAL 40 N -2.13 4.92 -0.18 3.63 1.01 -0.73 -5.02 120.40 121.90 2kh2 s VAL 40 Ca 0.70 0.98 -0.04 0.00 0.00 0.00 0.00 61.98 63.62 2kh2 s VAL 40 Cb -0.23 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 2kh2 s VAL 40 CO 0.38 0.56 -0.03 -0.69 0.00 0.00 0.00 175.10 175.32 2kh2 s VAL 41 N -1.10 3.79 -0.12 2.92 1.01 -1.26 -4.59 120.40 121.05 2kh2 s VAL 41 Ca 0.26 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 2kh2 s VAL 41 Cb -0.18 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 2kh2 s VAL 41 CO 0.16 0.46 0.03 -0.36 0.00 0.00 0.00 175.10 175.39 2kh2 s PHE 42 N 0.72 3.22 -0.22 5.22 0.08 0.62 -1.84 117.98 125.78 2kh2 s PHE 42 Ca -0.01 0.15 -0.21 0.00 0.12 0.00 0.00 56.93 56.98 2kh2 s PHE 42 Cb -0.14 -1.89 -0.02 0.00 -0.57 0.00 0.00 43.02 40.40 2kh2 s PHE 42 CO 0.02 0.38 0.66 -1.12 -0.10 0.00 0.00 175.22 175.06 2kh2 s SER 43 N -0.50 6.68 -0.46 1.36 0.01 0.53 -1.43 113.70 119.89 2kh2 s SER 43 Ca 0.09 0.83 -0.15 0.00 1.31 0.00 0.00 55.95 58.03 2kh2 s SER 43 Cb -0.12 -2.36 0.06 0.00 0.21 0.00 0.00 66.02 63.81 2kh2 s SER 43 CO 0.02 -0.33 0.37 -0.04 0.41 0.00 0.00 173.24 173.67 2kh2 s MET 44 N 2.20 2.97 -0.02 12.44 -1.94 0.11 -2.68 119.30 132.38 2kh2 s MET 44 Ca 0.29 -1.28 -0.14 0.00 -1.71 0.00 0.00 55.69 52.85 2kh2 s MET 44 Cb -0.16 -4.10 -0.05 0.00 2.01 0.00 0.00 34.83 32.53 2kh2 s MET 44 CO 0.10 -0.96 0.38 -1.12 -0.01 0.00 0.00 175.02 173.40 2kh2 s SER 45 N 2.39 6.75 -0.87 3.03 0.01 -1.05 -1.87 113.70 122.09 2kh2 s SER 45 Ca 0.04 0.89 -0.22 0.00 1.31 0.00 0.00 55.95 57.97 2kh2 s SER 45 Cb -0.23 -2.23 0.08 0.00 0.21 0.00 0.00 66.02 63.85 2kh2 s SER 45 CO 0.07 0.32 1.22 -0.36 0.41 0.00 0.00 173.24 174.91 2kh2 s PHE 46 N -0.97 2.70 0.93 2.43 0.08 -0.80 -0.99 117.98 121.36 2kh2 s PHE 46 Ca 0.23 -0.83 -0.16 0.00 0.12 0.00 0.00 56.93 56.29 2kh2 s PHE 46 Cb -0.16 -4.48 0.22 0.00 -0.57 0.00 0.00 43.02 38.03 2kh2 s PHE 46 CO 0.12 -1.76 1.16 1.33 -0.10 0.00 0.00 175.22 175.97 2kh2 n VAL 47 N 6.18 0.00 -3.79 -0.44 0.24 -1.16 -4.72 118.33 114.65 2kh2 n VAL 47 Ca 0.18 -0.79 -0.37 0.00 -2.04 0.00 0.00 64.34 61.32 2kh2 n VAL 47 Cb 0.49 -1.48 -0.12 0.00 -1.47 0.00 0.00 33.84 31.25 2kh2 n VAL 47 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2kh2 s GLN 48 N -5.55 2.37 0.00 7.34 2.00 -0.82 -4.90 119.66 120.10 2kh2 s GLN 48 Ca 0.67 -1.44 0.00 0.00 -2.00 0.00 0.00 55.36 52.59 2kh2 s GLN 48 Cb -0.03 -3.45 0.00 0.00 0.80 0.00 0.00 33.01 30.33 2kh2 s GLN 48 CO 0.48 -0.82 0.00 0.41 -0.50 0.00 0.00 175.29 174.87 2kh2 n GLY 49 N 4.70 3.02 3.56 2.59 0.00 -1.26 -4.89 105.19 112.90 2kh2 n GLY 49 Ca -0.09 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 2kh2 n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kh2 s GLU 50 N 4.88 3.00 -0.03 1.61 2.56 -1.26 -4.97 118.70 124.49 2kh2 s GLU 50 Ca 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 54.97 54.58 2kh2 s GLU 50 Cb 0.00 -4.86 -0.04 0.00 2.00 0.00 0.00 34.13 31.23 2kh2 s GLU 50 CO 0.00 -2.67 0.16 -2.00 -0.56 0.00 0.00 175.26 170.19 2kh2 s GLU 51 N 6.16 3.39 0.18 4.30 2.12 -1.26 -3.80 118.70 129.78 2kh2 s GLU 51 Ca 0.56 -0.31 -0.05 0.00 0.36 0.00 0.00 54.97 55.53 2kh2 s GLU 51 Cb -0.06 -3.08 0.02 0.00 0.26 0.00 0.00 34.13 31.27 2kh2 s GLU 51 CO 0.03 0.69 0.31 -1.13 -0.54 0.00 0.00 175.26 174.63 2kh2 n SER 52 N 1.14 -0.90 0.11 -1.70 3.41 0.44 -4.99 113.62 111.14 2kh2 n SER 52 Ca -0.13 -1.79 -0.02 0.00 -0.26 0.00 0.00 58.87 56.67 2kh2 n SER 52 Cb 0.53 1.55 0.05 0.00 -0.26 0.00 0.00 64.21 66.08 2kh2 n SER 52 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2kh2 h ASN 53 N 0.91 0.00 0.00 4.04 4.21 -2.00 -3.38 115.58 119.36 2kh2 h ASN 53 Ca -0.14 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.22 2kh2 h ASN 53 Cb 0.56 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.74 2kh2 h ASN 53 CO 0.19 0.74 -1.55 -0.90 -1.29 0.00 0.00 177.43 174.61 2kh2 n ASP 54 N -3.52 3.19 -4.50 5.81 5.75 -1.26 -4.94 116.55 117.08 2kh2 n ASP 54 Ca -0.00 -0.04 -0.43 0.00 -0.01 0.00 0.00 54.79 54.31 2kh2 n ASP 54 Cb 0.75 0.07 -0.08 0.00 -1.03 0.00 0.00 41.12 40.82 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 -2.20 3.23 -0.20 0.11 1.02 -1.26 -1.77 119.74 118.68 2kh2 s LYS 55 Ca -0.11 -0.57 -0.04 0.00 0.02 0.00 0.00 55.97 55.27 2kh2 s LYS 55 Cb 0.03 -3.93 -0.02 0.00 -0.52 0.00 0.00 37.83 33.39 2kh2 s LYS 55 CO 0.25 -0.85 -0.04 0.42 -0.92 0.00 0.00 175.35 174.21 2kh2 s ILE 56 N 2.33 3.52 -0.45 2.17 -1.09 0.16 -0.42 121.20 127.42 2kh2 s ILE 56 Ca 0.15 -0.46 -0.29 0.00 -2.23 0.00 0.00 60.65 57.82 2kh2 s ILE 56 Cb -0.16 -2.58 0.03 0.00 -1.58 0.00 0.00 42.46 38.17 2kh2 s ILE 56 CO 0.15 0.45 1.14 -2.16 -1.23 0.00 0.00 174.94 173.28 2kh2 s PRO 57 N 1.08 3.78 0.11 2.79 0.04 -1.25 0.00 135.00 141.56 2kh2 s PRO 57 Ca 0.01 0.68 0.02 0.00 0.04 0.00 0.00 61.00 61.75 2kh2 s PRO 57 Cb -0.15 -3.88 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 2kh2 s PRO 57 CO 0.00 -1.30 -0.07 0.14 0.04 0.00 0.00 177.00 175.81 2kh2 s VAL 58 N 4.34 0.80 0.08 -0.36 -7.23 -0.04 -2.97 120.40 115.01 2kh2 s VAL 58 Ca 0.48 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 2kh2 s VAL 58 Cb -0.08 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 2kh2 s VAL 58 CO 0.29 -0.83 0.16 0.00 -0.31 0.00 0.00 175.10 174.41 2kh2 s ALA 59 N -3.48 3.81 -0.27 1.32 0.00 -0.17 -0.50 121.76 122.48 2kh2 s ALA 59 Ca 0.12 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.17 2kh2 s ALA 59 Cb 0.04 -1.65 0.07 0.00 0.00 0.00 0.00 23.12 21.58 2kh2 s ALA 59 CO -0.03 0.77 -0.04 -0.51 0.00 0.00 0.00 175.76 175.95 2kh2 s LEU 60 N -2.51 3.16 0.18 0.00 1.43 -1.25 -2.52 118.68 117.16 2kh2 s LEU 60 Ca 0.32 -1.44 0.05 0.00 -1.03 0.00 0.00 54.13 52.04 2kh2 s LEU 60 Cb -0.12 -1.33 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 2kh2 s LEU 60 CO 0.25 -0.26 -0.10 -0.83 0.23 0.00 0.00 176.35 175.64 2kh2 s GLY 61 N 1.25 1.26 0.24 -3.19 0.00 -1.09 -1.03 107.32 104.75 2kh2 s GLY 61 Ca -0.02 -1.59 -0.30 0.00 0.00 0.00 0.00 44.72 42.81 2kh2 s GLY 61 CO -0.08 -1.66 1.05 1.08 0.00 0.00 0.00 173.10 173.50 2kh2 s LEU 62 N -3.24 4.56 0.09 0.66 1.02 0.44 -0.35 118.68 121.86 2kh2 s LEU 62 Ca 0.20 2.13 -0.33 0.00 0.02 0.00 0.00 54.13 56.15 2kh2 s LEU 62 Cb 0.02 -3.62 -0.13 0.00 0.02 0.00 0.00 46.19 42.49 2kh2 s LEU 62 CO 0.04 -0.08 1.71 1.17 0.02 0.00 0.00 176.35 179.21 2kh2 n LYS 63 N 1.61 2.31 -2.63 1.70 4.81 -0.76 -2.03 118.16 123.17 2kh2 n LYS 63 Ca -0.00 0.84 -0.16 0.00 -0.87 0.00 0.00 58.31 58.12 2kh2 n LYS 63 Cb 0.46 -2.65 -0.00 0.00 0.02 0.00 0.00 35.03 32.85 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 4.70 -2.57 -3.99 1.64 0.28 -1.26 -4.96 120.64 114.48 2kh2 n GLU 64 Ca 0.19 0.64 -0.09 0.00 -0.16 0.00 0.00 57.16 57.73 2kh2 n GLU 64 Cb 0.31 -5.28 -0.11 0.00 1.43 0.00 0.00 31.44 27.78 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 -5.24 0.35 -0.12 3.44 1.02 -0.86 -5.03 119.74 113.30 2kh2 s LYS 65 Ca 0.09 -0.65 0.03 0.00 0.02 0.00 0.00 55.97 55.46 2kh2 s LYS 65 Cb -0.04 0.06 0.27 0.00 -0.52 0.00 0.00 37.83 37.59 2kh2 s LYS 65 CO 0.11 -0.04 1.12 0.27 -0.92 0.00 0.00 175.35 175.88 2kh2 n ASN 66 N 1.53 2.95 -4.58 2.83 6.94 -1.26 -4.37 115.26 119.29 2kh2 n ASN 66 Ca -0.23 -2.44 -0.39 0.00 -0.02 0.00 0.00 54.58 51.50 2kh2 n ASN 66 Cb 0.55 -0.59 -0.11 0.00 -2.36 0.00 0.00 39.78 37.27 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 -1.06 4.11 0.10 -4.53 1.43 -1.26 -0.64 118.68 116.83 2kh2 s LEU 67 Ca 0.20 -0.04 0.10 0.00 -1.03 0.00 0.00 54.13 53.35 2kh2 s LEU 67 Cb 0.16 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2kh2 s LEU 67 CO 0.05 -0.10 -0.25 -0.31 0.23 0.00 0.00 176.35 175.97 2kh2 s TYR 68 N 1.80 2.14 -0.24 0.29 1.51 -0.58 -0.42 117.35 121.84 2kh2 s TYR 68 Ca 0.08 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.45 2kh2 s TYR 68 Cb -0.16 -1.19 -0.01 0.00 -0.11 0.00 0.00 41.96 40.48 2kh2 s TYR 68 CO 0.11 0.25 1.42 -0.51 -1.11 0.00 0.00 175.55 175.71 2kh2 s LEU 69 N -1.80 3.95 -0.10 -1.29 1.43 -0.20 -0.86 118.68 119.81 2kh2 s LEU 69 Ca 0.11 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 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 -1.09 -0.11 -0.55 0.23 0.00 0.00 176.35 174.88 2kh2 s SER 70 N 3.20 4.26 -0.32 2.29 0.15 0.71 -4.38 113.70 119.61 2kh2 s SER 70 Ca 0.62 -0.20 -0.09 0.00 0.70 0.00 0.00 55.95 56.98 2kh2 s SER 70 Cb -0.21 -1.35 0.01 0.00 -1.71 0.00 0.00 66.02 62.76 2kh2 s SER 70 CO 0.24 0.25 0.13 0.00 1.20 0.00 0.00 173.24 175.07 2kh2 s VAL 72 N 1.55 0.00 -0.26 0.00 -7.23 -0.79 -4.67 120.40 109.01 2kh2 s VAL 72 Ca 0.03 -1.93 -0.14 0.00 -1.81 0.00 0.00 61.98 58.13 2kh2 s VAL 72 Cb -0.18 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 2kh2 s VAL 72 CO 0.05 0.00 0.32 -0.76 -0.31 0.00 0.00 175.10 174.40 2kh2 s LEU 73 N -3.16 4.07 -0.08 1.32 1.43 -1.26 0.27 118.68 121.27 2kh2 s LEU 73 Ca 0.37 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.74 2kh2 s LEU 73 Cb 0.06 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.94 2kh2 s LEU 73 CO 0.13 -0.11 -0.08 -0.54 0.23 0.00 0.00 176.35 175.97 2kh2 s LYS 74 N 1.76 1.35 -1.26 1.70 1.02 0.21 -4.79 119.74 119.74 2kh2 s LYS 74 Ca 0.14 -0.25 -0.01 0.00 0.02 0.00 0.00 55.97 55.86 2kh2 s LYS 74 Cb -0.15 -1.29 0.00 0.00 -0.52 0.00 0.00 37.83 35.87 2kh2 s LYS 74 CO 0.09 -0.12 0.94 -3.47 -0.92 0.00 0.00 175.35 171.87 2kh2 n ASP 75 N 4.33 -2.34 -2.31 2.83 4.64 -1.26 -1.93 116.55 120.51 2kh2 n ASP 75 Ca -0.19 -0.67 -0.18 0.00 -1.38 0.00 0.00 54.79 52.37 2kh2 n ASP 75 Cb 0.51 -4.80 -0.02 0.00 -1.04 0.00 0.00 41.12 35.78 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 -3.09 -5.19 -3.70 1.67 9.92 -1.26 -4.97 116.55 109.93 2kh2 n ASP 76 Ca -0.25 0.10 -0.11 0.00 -0.53 0.00 0.00 54.79 53.99 2kh2 n ASP 76 Cb 0.66 -4.38 -0.12 0.00 -0.64 0.00 0.00 41.12 36.64 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 -4.87 0.28 0.07 -1.24 2.47 -0.81 -5.12 119.74 110.51 2kh2 s LYS 77 Ca 0.00 0.71 -0.30 0.00 -1.56 0.00 0.00 55.97 54.82 2kh2 s LYS 77 Cb 0.00 -0.03 -0.09 0.00 -1.46 0.00 0.00 37.83 36.25 2kh2 s LYS 77 CO 0.00 -0.19 1.84 -2.14 0.16 0.00 0.00 175.35 175.03 2kh2 s PRO 78 N 1.61 4.15 0.12 4.03 0.02 -1.26 -0.62 135.00 143.05 2kh2 s PRO 78 Ca -0.07 2.53 0.03 0.00 0.02 0.00 0.00 61.00 63.51 2kh2 s PRO 78 Cb -0.10 -3.85 -0.04 0.00 0.02 0.00 0.00 34.50 30.52 2kh2 s PRO 78 CO -0.11 -0.87 -0.07 0.95 -0.33 0.00 0.00 177.00 176.57 2kh2 s THR 79 N 3.52 0.87 0.00 0.99 -4.23 0.14 -4.69 115.64 112.25 2kh2 s THR 79 Ca 0.82 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.29 2kh2 s THR 79 Cb -0.43 -1.79 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 2kh2 s THR 79 CO 0.37 -0.79 0.25 -0.22 -0.54 0.00 0.00 174.62 173.69 2kh2 s LEU 80 N -3.10 4.37 0.21 4.79 2.96 -1.26 -1.88 118.68 124.76 2kh2 s LEU 80 Ca 0.15 0.52 -0.12 0.00 -0.22 0.00 0.00 54.13 54.46 2kh2 s LEU 80 Cb 0.04 -2.66 -0.00 0.00 0.50 0.00 0.00 46.19 44.07 2kh2 s LEU 80 CO -0.02 0.25 0.40 0.00 -1.32 0.00 0.00 176.35 175.66 2kh2 s GLN 81 N -1.79 1.36 -0.34 1.98 -2.07 -0.09 -4.98 119.66 113.73 2kh2 s GLN 81 Ca 0.27 -1.17 -0.10 0.00 -1.82 0.00 0.00 55.36 52.54 2kh2 s GLN 81 Cb -0.13 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.23 2kh2 s GLN 81 CO 0.16 -0.54 0.18 -0.51 -1.32 0.00 0.00 175.29 173.27 2kh2 s LEU 82 N -2.98 4.37 -0.18 2.60 2.01 -1.26 -0.21 118.68 123.04 2kh2 s LEU 82 Ca 0.19 -0.68 -0.07 0.00 0.01 0.00 0.00 54.13 53.58 2kh2 s LEU 82 Cb 0.01 -2.03 -0.04 0.00 0.01 0.00 0.00 46.19 44.15 2kh2 s LEU 82 CO 0.04 -0.27 0.05 -0.70 1.01 0.00 0.00 176.35 176.48 2kh2 s GLU 83 N 1.60 3.91 -0.60 1.70 2.12 -0.03 -4.88 118.70 122.52 2kh2 s GLU 83 Ca 0.04 -0.36 -0.28 0.00 0.36 0.00 0.00 54.97 54.73 2kh2 s GLU 83 Cb -0.18 -3.17 0.03 0.00 0.26 0.00 0.00 34.13 31.08 2kh2 s GLU 83 CO 0.07 0.29 1.20 -1.12 -0.54 0.00 0.00 175.26 175.15 2kh2 s SER 84 N 0.31 6.40 0.39 -1.70 0.01 -1.26 -1.53 113.70 116.32 2kh2 s SER 84 Ca 0.03 0.00 -0.02 0.00 1.31 0.00 0.00 55.95 57.27 2kh2 s SER 84 Cb -0.12 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 2kh2 s SER 84 CO 0.01 -1.53 0.63 0.68 0.41 0.00 0.00 173.24 173.44 2kh2 s VAL 85 N 5.03 5.03 -0.11 3.43 -7.23 0.19 -5.01 120.40 121.73 2kh2 s VAL 85 Ca 0.41 -0.18 -0.35 0.00 -1.81 0.00 0.00 61.98 60.06 2kh2 s VAL 85 Cb -0.08 -3.85 -0.12 0.00 0.56 0.00 0.00 36.38 32.89 2kh2 s VAL 85 CO 0.24 -0.64 1.88 -0.67 -0.31 0.00 0.00 175.10 175.60 2kh2 n ASP 86 N -1.88 3.38 0.08 4.85 4.64 -1.26 -4.85 116.55 121.51 2kh2 n ASP 86 Ca -0.03 0.97 0.09 0.00 -1.38 0.00 0.00 54.79 54.44 2kh2 n ASP 86 Cb 0.56 -1.36 0.40 0.00 -1.04 0.00 0.00 41.12 39.68 2kh2 n ASP 86 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2kh2 n PRO 87 N 6.64 0.11 -0.00 -0.67 -0.04 -1.26 -2.39 135.00 137.38 2kh2 n PRO 87 Ca 0.23 0.38 0.05 0.00 -0.04 0.00 0.00 63.50 64.13 2kh2 n PRO 87 Cb 0.28 -1.72 -0.07 0.00 -0.04 0.00 0.00 33.50 31.96 2kh2 n PRO 87 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2kh2 n LYS 88 N -1.92 2.14 -0.20 0.54 2.85 -1.26 -4.51 118.16 115.80 2kh2 n LYS 88 Ca 0.02 -0.04 0.07 0.00 -1.05 0.00 0.00 58.31 57.31 2kh2 n LYS 88 Cb 0.17 -1.10 0.18 0.00 -0.65 0.00 0.00 35.03 33.64 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 -1.52 3.07 -4.04 -5.58 3.02 -1.11 -4.96 115.26 104.13 2kh2 n ASN 89 Ca 0.00 -1.95 -0.16 0.00 -0.03 0.00 0.00 54.58 52.45 2kh2 n ASN 89 Cb 0.21 -0.26 -0.13 0.00 -0.61 0.00 0.00 39.78 38.99 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 -1.02 0.72 0.81 3.10 1.51 -1.00 -4.44 117.35 117.02 2kh2 s TYR 90 Ca 0.28 -0.32 -0.08 0.00 -1.01 0.00 0.00 57.07 55.94 2kh2 s TYR 90 Cb 0.15 -0.44 0.14 0.00 -0.11 0.00 0.00 41.96 41.70 2kh2 s TYR 90 CO 0.20 -0.03 1.13 -1.25 -1.11 0.00 0.00 175.55 174.48 2kh2 s PRO 91 N -0.96 1.41 0.16 -1.71 0.04 -1.26 -4.86 135.00 127.82 2kh2 s PRO 91 Ca -0.03 -0.63 -0.09 0.00 0.04 0.00 0.00 61.00 60.29 2kh2 s PRO 91 Cb -0.07 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 2kh2 s PRO 91 CO 0.00 -1.77 0.28 -1.59 0.04 0.00 0.00 177.00 173.97 2kh2 s LYS 92 N -5.46 1.13 0.02 4.56 -2.85 -1.26 -5.08 119.74 110.81 2kh2 s LYS 92 Ca 0.68 -1.13 -0.25 0.00 -1.00 0.00 0.00 55.97 54.26 2kh2 s LYS 92 Cb -0.06 0.38 -0.18 0.00 -2.06 0.00 0.00 37.83 35.91 2kh2 s LYS 92 CO 0.48 -0.41 1.41 -0.22 0.10 0.00 0.00 175.35 176.71 2kh2 h LYS 93 N 2.55 -0.16 -4.46 1.78 3.11 -1.97 -3.37 116.57 114.05 2kh2 h LYS 93 Ca -0.32 0.01 -0.73 0.00 -2.81 0.00 0.00 60.65 56.80 2kh2 h LYS 93 Cb 1.23 0.04 -0.22 0.00 -1.00 0.00 0.00 32.23 32.28 2kh2 h LYS 93 CO 0.49 0.12 0.31 0.21 -2.81 0.00 0.00 179.45 177.77 2kh2 s LYS 94 N -5.03 3.41 0.52 1.90 2.47 -1.26 -1.94 119.74 119.81 2kh2 s LYS 94 Ca -0.15 -1.88 -0.02 0.00 -1.56 0.00 0.00 55.97 52.37 2kh2 s LYS 94 Cb 0.03 -4.52 0.00 0.00 -1.46 0.00 0.00 37.83 31.89 2kh2 s LYS 94 CO 0.63 -1.51 0.78 -1.64 0.16 0.00 0.00 175.35 173.76 2kh2 s MET 95 N 1.74 2.96 0.51 4.03 -1.94 -1.26 -5.05 119.30 120.29 2kh2 s MET 95 Ca 0.20 -0.31 -0.22 0.00 -1.71 0.00 0.00 55.69 53.65 2kh2 s MET 95 Cb -0.14 -2.43 -0.06 0.00 2.01 0.00 0.00 34.83 34.21 2kh2 s MET 95 CO -0.04 -0.49 1.28 -1.21 -0.01 0.00 0.00 175.02 174.56 2kh2 s GLU 96 N -4.76 3.41 0.59 2.03 8.01 -1.26 -4.86 118.70 121.86 2kh2 s GLU 96 Ca 0.51 2.06 0.29 0.00 0.01 0.00 0.00 54.97 57.85 2kh2 s GLU 96 Cb -0.10 -2.33 1.74 0.00 -4.31 0.00 0.00 34.13 29.12 2kh2 s GLU 96 CO 0.41 -0.92 2.17 -0.22 0.01 0.00 0.00 175.26 176.70 2kh2 h LYS 97 N 1.73 0.00 0.00 1.61 1.63 -1.96 0.14 116.57 119.72 2kh2 h LYS 97 Ca -0.50 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 2kh2 h LYS 97 Cb 1.28 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 2kh2 h LYS 97 CO 0.59 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 179.48 2kh2 n ARG 98 N -3.80 0.05 -0.01 1.90 1.85 -1.26 -2.77 116.66 112.62 2kh2 n ARG 98 Ca -0.00 0.07 0.04 0.00 -1.00 0.00 0.00 57.85 56.96 2kh2 n ARG 98 Cb 0.22 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.17 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 -1.47 0.01 -3.41 2.89 3.72 0.46 -0.39 117.46 119.27 2kh2 n PHE 99 Ca 0.07 -0.02 -0.39 0.00 -0.05 0.00 0.00 57.45 57.06 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 -0.69 5.19 0.04 -4.37 1.01 -1.03 -3.93 120.40 116.62 2kh2 s VAL 100 Ca 0.10 0.54 0.05 0.00 0.00 0.00 0.00 61.98 62.66 2kh2 s VAL 100 Cb 0.07 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2kh2 s VAL 100 CO 0.10 0.18 -0.09 -0.36 0.00 0.00 0.00 175.10 174.93 2kh2 s PHE 101 N 1.96 2.81 -0.60 5.22 0.40 0.34 -2.48 117.98 125.64 2kh2 s PHE 101 Ca 0.14 -0.10 -0.14 0.00 -0.60 0.00 0.00 56.93 56.24 2kh2 s PHE 101 Cb -0.16 -1.54 0.15 0.00 0.51 0.00 0.00 43.02 41.98 2kh2 s PHE 101 CO 0.10 0.37 0.53 1.21 0.70 0.00 0.00 175.22 178.13 2kh2 s ASN 102 N -1.65 6.19 -0.71 1.36 3.04 0.22 -0.86 114.94 122.52 2kh2 s ASN 102 Ca 0.18 -2.07 -0.27 0.00 0.04 0.00 0.00 52.86 50.75 2kh2 s ASN 102 Cb -0.11 -2.16 0.01 0.00 -1.54 0.00 0.00 41.25 37.46 2kh2 s ASN 102 CO 0.09 -0.74 1.47 -0.75 -3.04 0.00 0.00 177.10 174.13 2kh2 s LYS 103 N 1.15 3.01 0.18 0.43 2.20 0.10 -1.14 119.74 125.68 2kh2 s LYS 103 Ca 0.08 0.01 -0.10 0.00 -0.36 0.00 0.00 55.97 55.60 2kh2 s LYS 103 Cb -0.24 -4.27 -0.07 0.00 -1.51 0.00 0.00 37.83 31.74 2kh2 s LYS 103 CO -0.01 -2.34 0.50 0.42 -0.36 0.00 0.00 175.35 173.56 2kh2 s ILE 104 N 6.81 4.98 -0.42 5.43 1.01 0.71 -0.66 121.20 139.05 2kh2 s ILE 104 Ca 0.46 0.46 0.02 0.00 0.00 0.00 0.00 60.65 61.59 2kh2 s ILE 104 Cb -0.09 -3.64 0.15 0.00 0.01 0.00 0.00 42.46 38.88 2kh2 s ILE 104 CO 0.16 0.04 0.28 -0.70 0.00 0.00 0.00 174.94 174.72 2kh2 s GLU 105 N -2.53 1.01 0.09 2.79 2.12 -0.73 -0.75 118.70 120.70 2kh2 s GLU 105 Ca 0.43 -1.90 -0.22 0.00 0.36 0.00 0.00 54.97 53.64 2kh2 s GLU 105 Cb -0.12 -1.81 -0.12 0.00 0.26 0.00 0.00 34.13 32.34 2kh2 s GLU 105 CO 0.21 -1.25 1.69 -0.84 -0.54 0.00 0.00 175.26 174.53 2kh2 h ILE 106 N 4.93 1.08 0.00 -3.70 3.07 -1.89 -3.46 117.51 117.54 2kh2 h ILE 106 Ca 0.10 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 66.30 2kh2 h ILE 106 Cb 0.92 1.05 0.00 0.00 -0.27 0.00 0.00 36.82 38.52 2kh2 h ILE 106 CO 0.39 0.07 0.00 -0.46 -1.05 0.00 0.00 178.15 177.10 2kh2 n ASN 107 N -4.98 0.00 0.07 2.16 0.23 -1.26 -5.00 115.26 106.48 2kh2 n ASN 107 Ca -0.05 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.08 2kh2 n ASN 107 Cb 0.06 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.72 2kh2 n ASN 107 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2kh2 n ASN 108 N 0.00 0.72 -4.81 0.53 2.85 -1.26 -4.87 115.26 108.42 2kh2 n ASN 108 Ca 0.00 0.29 -0.33 0.00 -0.11 0.00 0.00 54.58 54.43 2kh2 n ASN 108 Cb 0.00 0.60 -0.06 0.00 1.24 0.00 0.00 39.78 41.56 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2kh2 s LYS 109 N -3.27 3.16 0.07 1.20 -0.14 -1.26 -4.83 119.74 114.66 2kh2 s LYS 109 Ca -0.02 -0.43 0.07 0.00 -1.36 0.00 0.00 55.97 54.22 2kh2 s LYS 109 Cb 0.10 -2.92 -0.04 0.00 -1.68 0.00 0.00 37.83 33.29 2kh2 s LYS 109 CO 0.81 0.66 -0.13 -0.48 -0.76 0.00 0.00 175.35 175.45 2kh2 s LEU 110 N -1.75 2.89 0.12 3.17 2.34 -0.59 -3.56 118.68 121.30 2kh2 s LEU 110 Ca 0.23 -0.38 0.10 0.00 0.06 0.00 0.00 54.13 54.15 2kh2 s LEU 110 Cb -0.12 -1.69 -0.04 0.00 -0.56 0.00 0.00 46.19 43.77 2kh2 s LEU 110 CO 0.15 0.22 -0.25 -1.83 -1.06 0.00 0.00 176.35 173.58 2kh2 s GLU 111 N -1.82 1.50 -0.33 1.48 -1.05 0.07 -0.53 118.70 118.02 2kh2 s GLU 111 Ca 0.18 -1.30 0.00 0.00 -0.15 0.00 0.00 54.97 53.70 2kh2 s GLU 111 Cb -0.11 -1.95 0.08 0.00 -0.44 0.00 0.00 34.13 31.71 2kh2 s GLU 111 CO 0.09 0.46 0.05 -0.06 0.95 0.00 0.00 175.26 176.75 2kh2 s PHE 112 N -1.07 3.48 0.06 4.83 0.40 -1.26 -0.21 117.98 124.22 2kh2 s PHE 112 Ca 0.15 -2.38 -0.12 0.00 -0.60 0.00 0.00 56.93 53.98 2kh2 s PHE 112 Cb -0.10 -2.59 -0.06 0.00 0.51 0.00 0.00 43.02 40.77 2kh2 s PHE 112 CO 0.07 -0.90 0.43 -2.00 0.70 0.00 0.00 175.22 173.51 2kh2 s GLU 113 N 1.11 3.85 -0.02 0.44 2.12 -0.29 -2.14 118.70 123.76 2kh2 s GLU 113 Ca 0.02 0.30 -0.27 0.00 0.36 0.00 0.00 54.97 55.38 2kh2 s GLU 113 Cb -0.20 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 2kh2 s GLU 113 CO -0.04 0.59 0.87 0.45 -0.54 0.00 0.00 175.26 176.59 2kh2 s SER 114 N -1.53 7.23 0.19 -1.70 0.15 0.66 0.68 113.70 119.37 2kh2 s SER 114 Ca 0.31 1.48 -0.04 0.00 0.70 0.00 0.00 55.95 58.40 2kh2 s SER 114 Cb -0.15 -2.51 0.10 0.00 -1.71 0.00 0.00 66.02 61.75 2kh2 s SER 114 CO 0.17 -0.20 1.51 0.00 1.20 0.00 0.00 173.24 175.92 2kh2 h ALA 115 N 6.75 0.70 -0.49 5.45 0.00 -1.73 -3.13 119.26 126.81 2kh2 h ALA 115 Ca -0.41 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.00 2kh2 h ALA 115 Cb 1.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2kh2 h ALA 115 CO 0.75 0.68 0.24 0.37 0.00 0.00 0.00 179.25 181.29 2kh2 h GLN 116 N 0.49 0.69 -4.52 0.00 5.75 -1.77 -3.39 115.11 112.38 2kh2 h GLN 116 Ca 0.02 -0.10 -0.65 0.00 -0.15 0.00 0.00 58.65 57.78 2kh2 h GLN 116 Cb 1.04 -0.13 -0.39 0.00 1.07 0.00 0.00 27.48 29.07 2kh2 h GLN 116 CO 0.10 0.57 -0.74 -0.06 -2.65 0.00 0.00 178.83 176.05 2kh2 s PHE 117 N -5.75 3.26 0.40 3.99 0.08 -1.18 -5.10 117.98 113.68 2kh2 s PHE 117 Ca -0.13 -2.61 -0.27 0.00 0.12 0.00 0.00 56.93 54.05 2kh2 s PHE 117 Cb 0.11 -2.48 -0.09 0.00 -0.57 0.00 0.00 43.02 39.99 2kh2 s PHE 117 CO 0.76 -0.91 1.39 -2.14 -0.10 0.00 0.00 175.22 174.21 2kh2 s PRO 118 N 1.08 3.97 0.00 0.24 0.02 -1.23 -2.45 135.00 136.62 2kh2 s PRO 118 Ca 0.06 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.44 2kh2 s PRO 118 Cb -0.19 -2.82 0.00 0.00 0.02 0.00 0.00 34.50 31.51 2kh2 s PRO 118 CO -0.10 -0.57 0.00 -1.71 -0.33 0.00 0.00 177.00 174.29 2kh2 n ASN 119 N 0.20 -2.18 -4.43 2.53 2.85 -1.26 -5.00 115.26 107.98 2kh2 n ASN 119 Ca 0.03 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.15 2kh2 n ASN 119 Cb 0.42 -0.95 -0.13 0.00 1.24 0.00 0.00 39.78 40.36 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 2kh2 s TRP 120 N -2.40 3.03 0.31 1.20 0.52 -1.03 -4.48 118.94 116.10 2kh2 s TRP 120 Ca 0.00 -0.52 0.07 0.00 0.02 0.00 0.00 56.10 55.67 2kh2 s TRP 120 Cb 0.00 -2.11 -0.06 0.00 -1.15 0.00 0.00 33.47 30.15 2kh2 s TRP 120 CO 0.00 -0.30 -0.05 0.71 0.02 0.00 0.00 176.95 177.33 2kh2 s TYR 121 N 1.15 2.13 -0.02 -1.98 1.51 0.57 -0.25 117.35 120.46 2kh2 s TYR 121 Ca 0.03 -0.68 -0.30 0.00 -1.01 0.00 0.00 57.07 55.11 2kh2 s TYR 121 Cb -0.14 -1.27 -0.04 0.00 -0.11 0.00 0.00 41.96 40.39 2kh2 s TYR 121 CO 0.01 0.34 1.21 0.42 -1.11 0.00 0.00 175.55 176.43 2kh2 s ILE 122 N -2.92 4.16 0.12 2.71 1.01 -0.91 -0.04 121.20 125.34 2kh2 s ILE 122 Ca 0.32 1.51 0.07 0.00 0.00 0.00 0.00 60.65 62.55 2kh2 s ILE 122 Cb 0.05 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2kh2 s ILE 122 CO 0.14 0.04 -0.17 -0.44 0.00 0.00 0.00 174.94 174.51 2kh2 s SER 123 N 1.39 2.29 -0.01 3.58 0.01 0.45 -4.54 113.70 116.86 2kh2 s SER 123 Ca 0.57 -0.77 0.01 0.00 1.31 0.00 0.00 55.95 57.07 2kh2 s SER 123 Cb -0.27 -0.11 0.01 0.00 0.21 0.00 0.00 66.02 65.87 2kh2 s SER 123 CO 0.25 -0.06 -0.01 0.42 0.41 0.00 0.00 173.24 174.25 2kh2 s THR 124 N -1.78 0.18 0.71 1.44 -4.23 -0.56 -2.27 115.64 109.14 2kh2 s THR 124 Ca 0.09 -0.02 -0.11 0.00 -1.18 0.00 0.00 61.69 60.47 2kh2 s THR 124 Cb -0.07 -0.21 0.02 0.00 1.34 0.00 0.00 72.50 73.58 2kh2 s THR 124 CO 0.04 0.10 1.07 -0.44 -0.54 0.00 0.00 174.62 174.85 2kh2 s SER 125 N 0.43 5.10 0.22 3.99 0.01 -1.26 -0.13 113.70 122.06 2kh2 s SER 125 Ca -0.04 1.73 -0.07 0.00 1.31 0.00 0.00 55.95 58.88 2kh2 s SER 125 Cb -0.07 -2.51 0.18 0.00 0.21 0.00 0.00 66.02 63.83 2kh2 s SER 125 CO -0.01 -1.63 1.73 1.56 0.41 0.00 0.00 173.24 175.30 2kh2 h GLN 126 N -0.70 1.06 -6.97 12.44 1.08 -1.96 -3.45 115.11 116.61 2kh2 h GLN 126 Ca -0.44 -0.26 -0.56 0.00 -1.45 0.00 0.00 58.65 55.94 2kh2 h GLN 126 Cb 1.22 -0.14 0.17 0.00 -0.05 0.00 0.00 27.48 28.68 2kh2 h GLN 126 CO 0.55 0.95 0.27 0.00 -0.95 0.00 0.00 178.83 179.65 2kh2 n ALA 127 N -2.46 0.45 -1.97 3.87 0.00 -1.26 -4.99 120.51 114.15 2kh2 n ALA 127 Ca 0.05 -0.05 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 2kh2 n ALA 127 Cb 0.27 -2.20 -0.06 0.00 0.00 0.00 0.00 19.45 17.46 2kh2 n ALA 127 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kh2 s GLU 128 N -3.16 4.09 -1.03 0.00 2.56 -1.26 -3.93 118.70 115.97 2kh2 s GLU 128 Ca 0.78 0.88 0.00 0.00 0.00 0.00 0.00 54.97 56.64 2kh2 s GLU 128 Cb -0.38 -2.29 0.00 0.00 2.00 0.00 0.00 34.13 33.46 2kh2 s GLU 128 CO 0.45 0.03 0.00 -1.71 -0.56 0.00 0.00 175.26 173.47 2kh2 n ASN 129 N -0.64 -3.90 -4.87 -1.70 2.85 -1.19 -5.01 115.26 100.80 2kh2 n ASN 129 Ca 0.05 0.12 -0.35 0.00 -0.11 0.00 0.00 54.58 54.29 2kh2 n ASN 129 Cb 0.54 -2.77 -0.05 0.00 1.24 0.00 0.00 39.78 38.73 2kh2 n ASN 129 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 2kh2 s MET 130 N -3.77 3.71 1.02 1.20 -1.94 -1.24 -4.90 119.30 113.37 2kh2 s MET 130 Ca 0.00 0.11 -0.15 0.00 -1.71 0.00 0.00 55.69 53.94 2kh2 s MET 130 Cb 0.00 -3.05 0.20 0.00 2.01 0.00 0.00 34.83 33.99 2kh2 s MET 130 CO 0.00 0.61 1.16 -2.14 -0.01 0.00 0.00 175.02 174.64 2kh2 s PRO 131 N -1.77 0.27 -0.19 2.03 0.02 -1.26 -0.77 135.00 133.33 2kh2 s PRO 131 Ca 0.30 0.07 -0.07 0.00 0.02 0.00 0.00 61.00 61.33 2kh2 s PRO 131 Cb -0.14 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 2kh2 s PRO 131 CO 0.17 -2.74 0.05 0.08 -0.33 0.00 0.00 177.00 174.22 2kh2 s VAL 132 N -3.28 4.58 0.35 3.83 1.01 -0.27 -4.52 120.40 122.10 2kh2 s VAL 132 Ca 0.68 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.63 2kh2 s VAL 132 Cb -0.12 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2kh2 s VAL 132 CO 0.54 0.44 0.26 0.72 0.00 0.00 0.00 175.10 177.07 2kh2 s PHE 133 N 0.61 1.78 -0.21 5.22 -0.12 -0.96 -4.86 117.98 119.44 2kh2 s PHE 133 Ca 0.02 -1.62 -0.10 0.00 -0.05 0.00 0.00 56.93 55.18 2kh2 s PHE 133 Cb -0.13 -0.79 -0.05 0.00 -0.63 0.00 0.00 43.02 41.42 2kh2 s PHE 133 CO 0.02 -0.80 0.14 -1.17 -0.05 0.00 0.00 175.22 173.36 2kh2 s LEU 134 N -3.42 4.19 0.13 -1.99 2.96 -1.26 -0.41 118.68 118.87 2kh2 s LEU 134 Ca 0.38 0.20 0.08 0.00 -0.22 0.00 0.00 54.13 54.57 2kh2 s LEU 134 Cb 0.02 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 2kh2 s LEU 134 CO 0.26 0.15 -0.19 -0.83 -1.32 0.00 0.00 176.35 174.42 2kh2 s GLY 135 N 0.52 1.28 0.00 7.98 0.00 0.94 -4.86 107.32 113.17 2kh2 s GLY 135 Ca 0.08 -1.34 0.13 0.00 0.00 0.00 0.00 44.72 43.59 2kh2 s GLY 135 CO -0.01 -1.37 1.29 0.61 0.00 0.00 0.00 173.10 173.63 2kh2 n GLY 136 N 0.74 2.67 3.04 0.20 0.00 -1.26 -0.32 105.19 110.25 2kh2 n GLY 136 Ca -0.17 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 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 0.69 2.80 -2.51 2.61 -1.04 -1.26 -4.87 114.28 110.70 2kh2 n THR 137 Ca 0.13 -5.10 -0.42 0.00 -2.04 0.00 0.00 64.05 56.62 2kh2 n THR 137 Cb 0.45 -2.32 -0.03 0.00 -1.82 0.00 0.00 70.33 66.62 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 -1.50 4.38 0.00 -2.82 2.20 -1.26 -2.94 119.74 117.79 2kh2 s LYS 138 Ca 0.28 1.61 0.00 0.00 -0.36 0.00 0.00 55.97 57.50 2kh2 s LYS 138 Cb -0.05 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 2kh2 s LYS 138 CO -0.12 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 2kh2 n GLY 139 N 3.29 0.72 0.00 5.54 0.00 -1.26 -5.05 105.19 108.42 2kh2 n GLY 139 Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.50 0.98 0.09 -0.02 0.00 -1.15 -5.02 105.19 97.57 2kh2 n GLY 140 Ca 0.00 -0.58 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 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 0.11 -6.78 1.61 7.50 -1.97 -3.46 115.11 112.12 2kh2 h GLN 141 Ca 0.00 -0.19 -0.51 0.00 0.50 0.00 0.00 58.65 58.44 2kh2 h GLN 141 Cb 0.00 0.07 0.03 0.00 0.05 0.00 0.00 27.48 27.63 2kh2 h GLN 141 CO 0.00 1.09 0.56 -0.51 -1.50 0.00 0.00 178.83 178.47 2kh2 s ASP 142 N -6.59 7.05 0.06 1.46 1.01 -1.26 -4.62 116.67 113.78 2kh2 s ASP 142 Ca -0.18 2.39 -0.31 0.00 0.71 0.00 0.00 52.55 55.16 2kh2 s ASP 142 Cb -0.00 -2.63 -0.08 0.00 1.01 0.00 0.00 42.92 41.22 2kh2 s ASP 142 CO 0.73 -0.34 1.62 -0.63 0.21 0.00 0.00 175.17 176.76 2kh2 s ILE 143 N -0.79 3.14 -0.02 0.77 1.01 0.82 -4.58 121.20 121.55 2kh2 s ILE 143 Ca 0.49 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.72 2kh2 s ILE 143 Cb -0.35 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 38.76 2kh2 s ILE 143 CO 0.43 -0.00 0.89 0.41 0.00 0.00 0.00 174.94 176.67 2kh2 n THR 144 N 4.72 0.76 -4.83 2.92 -1.04 -1.26 -1.49 114.28 114.06 2kh2 n THR 144 Ca 0.15 -0.88 -0.29 0.00 -2.04 0.00 0.00 64.05 60.99 2kh2 n THR 144 Cb 0.41 0.62 -0.15 0.00 -1.82 0.00 0.00 70.33 69.39 2kh2 n THR 144 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2kh2 s ASP 145 N -0.77 2.96 0.33 8.00 -4.77 -1.26 -4.52 116.67 116.64 2kh2 s ASP 145 Ca 0.00 -0.57 0.03 0.00 -3.30 0.00 0.00 52.55 48.71 2kh2 s ASP 145 Cb 0.00 -0.26 -0.04 0.00 -1.09 0.00 0.00 42.92 41.53 2kh2 s ASP 145 CO 0.00 0.23 0.14 -0.36 0.70 0.00 0.00 175.17 175.88 2kh2 s PHE 146 N -0.80 1.67 0.12 2.11 0.08 0.31 -3.65 117.98 117.82 2kh2 s PHE 146 Ca 0.11 -1.31 0.08 0.00 0.12 0.00 0.00 56.93 55.93 2kh2 s PHE 146 Cb -0.10 -0.96 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 2kh2 s PHE 146 CO 0.02 -0.42 -0.14 0.95 -0.10 0.00 0.00 175.22 175.53 2kh2 s THR 147 N -3.50 3.06 -0.30 0.64 -4.23 0.09 -1.54 115.64 109.86 2kh2 s THR 147 Ca 0.33 -1.46 -0.09 0.00 -1.18 0.00 0.00 61.69 59.30 2kh2 s THR 147 Cb 0.05 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.45 2kh2 s THR 147 CO 0.17 0.07 0.13 -0.32 -0.54 0.00 0.00 174.62 174.12 2kh2 s MET 148 N -2.27 3.34 -0.31 3.99 1.75 -1.26 -3.45 119.30 121.09 2kh2 s MET 148 Ca 0.20 -0.71 0.02 0.00 -1.25 0.00 0.00 55.69 53.96 2kh2 s MET 148 Cb -0.10 -3.50 0.09 0.00 2.84 0.00 0.00 34.83 34.16 2kh2 s MET 148 CO 0.12 -0.39 0.02 -0.65 -0.65 0.00 0.00 175.02 173.48 2kh2 s GLN 149 N 1.59 1.45 0.08 4.11 1.11 -0.66 -4.99 119.66 122.35 2kh2 s GLN 149 Ca 0.04 -1.52 -0.28 0.00 0.01 0.00 0.00 55.36 53.61 2kh2 s GLN 149 Cb -0.17 -2.84 -0.06 0.00 -1.01 0.00 0.00 33.01 28.94 2kh2 s GLN 149 CO 0.05 -0.85 0.90 -0.06 0.01 0.00 0.00 175.29 175.34 2kh2 s PHE 150 N 1.14 3.78 0.55 0.91 0.08 -1.26 -0.11 117.98 123.07 2kh2 s PHE 150 Ca 0.06 1.69 0.06 0.00 0.12 0.00 0.00 56.93 58.86 2kh2 s PHE 150 Cb -0.19 -2.98 0.06 0.00 -0.57 0.00 0.00 43.02 39.35 2kh2 s PHE 150 CO -0.11 0.22 0.76 0.14 -0.10 0.00 0.00 175.22 176.14 2kh2 s VAL 151 N 0.03 2.47 -1.19 -0.44 -7.23 -1.04 -4.97 120.40 108.03 2kh2 s VAL 151 Ca 0.44 -0.87 -0.08 0.00 -1.81 0.00 0.00 61.98 59.66 2kh2 s VAL 151 Cb -0.22 -2.59 -0.09 0.00 0.56 0.00 0.00 36.38 34.03 2kh2 s VAL 151 CO 0.27 0.00 2.66 -1.20 -0.31 0.00 0.00 175.10 176.52 2kh2 n SER 152 N -2.26 6.86 0.00 4.85 7.64 -1.26 -4.86 113.62 124.59 2kh2 n SER 152 Ca 0.12 -2.45 0.00 0.00 1.01 0.00 0.00 58.87 57.55 2kh2 n SER 152 Cb 0.60 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83