#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kh2 n PRO 2 N 0.00 0.09 -2.48 0.00 -0.04 -1.26 -4.69 135.00 126.63 2kh2 n PRO 2 Ca 0.00 0.08 -0.41 0.00 -0.04 0.00 0.00 63.50 63.13 2kh2 n PRO 2 Cb 0.00 -1.61 -0.03 0.00 -0.04 0.00 0.00 33.50 31.82 2kh2 n PRO 2 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2kh2 s VAL 3 N -3.04 3.76 -0.36 0.52 1.01 -1.26 -4.97 120.40 116.06 2kh2 s VAL 3 Ca 0.13 0.54 -0.27 0.00 0.00 0.00 0.00 61.98 62.38 2kh2 s VAL 3 Cb 0.16 -4.69 0.02 0.00 0.00 0.00 0.00 36.38 31.87 2kh2 s VAL 3 CO 0.55 -1.52 0.97 -0.13 0.00 0.00 0.00 175.10 174.96 2kh2 s ARG 4 N 5.66 3.90 -0.00 2.72 0.52 -1.26 -5.01 118.95 125.47 2kh2 s ARG 4 Ca 0.43 0.70 -0.02 0.00 -0.52 0.00 0.00 55.73 56.33 2kh2 s ARG 4 Cb -0.09 -3.79 -0.00 0.00 0.52 0.00 0.00 34.95 31.59 2kh2 s ARG 4 CO 0.20 -0.94 0.03 -1.12 0.02 0.00 0.00 175.30 173.49 2kh2 s SER 5 N 1.84 0.06 0.13 0.23 0.01 -1.26 -1.46 113.70 113.25 2kh2 s SER 5 Ca 0.40 -0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.53 2kh2 s SER 5 Cb -0.12 0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.18 2kh2 s SER 5 CO 0.18 -0.16 -0.04 -1.48 0.41 0.00 0.00 173.24 172.15 2kh2 s LEU 6 N -0.67 2.37 -0.09 2.44 0.05 -0.55 -4.95 118.68 117.27 2kh2 s LEU 6 Ca -0.07 -1.07 0.03 0.00 0.05 0.00 0.00 54.13 53.06 2kh2 s LEU 6 Cb -0.05 -0.09 -0.01 0.00 -2.05 0.00 0.00 46.19 43.99 2kh2 s LEU 6 CO -0.00 -0.49 -0.18 0.20 -0.55 0.00 0.00 176.35 175.33 2kh2 s ASN 7 N -3.10 3.67 0.22 1.48 0.01 -1.26 -0.02 114.94 115.94 2kh2 s ASN 7 Ca 0.17 -0.38 -0.18 0.00 -0.71 0.00 0.00 52.86 51.76 2kh2 s ASN 7 Cb 0.05 -1.27 0.02 0.00 0.41 0.00 0.00 41.25 40.46 2kh2 s ASN 7 CO -0.01 0.22 0.56 0.00 -1.51 0.00 0.00 177.10 176.35 2kh2 s THR 9 N -3.90 3.20 -0.15 0.00 -4.23 0.67 -0.90 115.64 110.32 2kh2 s THR 9 Ca 0.11 -0.83 -0.03 0.00 -1.18 0.00 0.00 61.69 59.77 2kh2 s THR 9 Cb -0.02 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.48 2kh2 s THR 9 CO 0.00 0.48 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.74 2kh2 s LEU 10 N -1.08 3.09 -0.01 4.79 1.43 -1.26 -1.61 118.68 124.03 2kh2 s LEU 10 Ca 0.14 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 2kh2 s LEU 10 Cb -0.11 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 2kh2 s LEU 10 CO 0.03 0.16 -0.10 -0.13 0.23 0.00 0.00 176.35 176.55 2kh2 s ARG 11 N 0.41 0.79 1.10 1.70 0.52 -1.09 -4.23 118.95 118.16 2kh2 s ARG 11 Ca -0.06 -0.36 -0.18 0.00 -0.52 0.00 0.00 55.73 54.61 2kh2 s ARG 11 Cb -0.15 -0.76 0.26 0.00 0.52 0.00 0.00 34.95 34.82 2kh2 s ARG 11 CO 0.03 0.21 1.24 0.16 0.02 0.00 0.00 175.30 176.97 2kh2 s ASP 12 N -0.26 1.87 0.04 0.23 -4.77 -1.25 0.67 116.67 113.21 2kh2 s ASP 12 Ca 0.04 0.33 0.04 0.00 -3.30 0.00 0.00 52.55 49.66 2kh2 s ASP 12 Cb -0.04 -0.39 0.20 0.00 -1.09 0.00 0.00 42.92 41.61 2kh2 s ASP 12 CO -0.00 -3.51 1.13 -1.54 0.70 0.00 0.00 175.17 171.94 2kh2 n SER 13 N -4.30 0.08 -0.33 2.11 3.41 -1.23 -0.13 113.62 113.23 2kh2 n SER 13 Ca 0.16 0.53 0.11 0.00 -0.26 0.00 0.00 58.87 59.41 2kh2 n SER 13 Cb 0.59 -0.54 0.03 0.00 -0.26 0.00 0.00 64.21 64.03 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 -1.60 0.82 -2.36 4.33 1.13 -1.26 -4.96 117.38 113.49 2kh2 n GLN 14 Ca 0.00 -0.65 -0.08 0.00 -1.94 0.00 0.00 57.00 54.32 2kh2 n GLN 14 Cb 0.02 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 28.89 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 -0.52 -1.28 -1.91 -1.09 1.13 0.82 -5.01 117.38 109.52 2kh2 n GLN 15 Ca 0.08 0.37 -0.32 0.00 -1.94 0.00 0.00 57.00 55.19 2kh2 n GLN 15 Cb 0.41 -4.19 0.02 0.00 0.11 0.00 0.00 30.24 26.60 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 -4.69 3.26 -0.06 -1.09 1.02 -1.26 -4.62 119.74 112.29 2kh2 s LYS 16 Ca 0.06 1.08 0.02 0.00 0.02 0.00 0.00 55.97 57.16 2kh2 s LYS 16 Cb -0.03 -2.03 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 2kh2 s LYS 16 CO 0.07 -0.85 -0.11 -1.12 -0.92 0.00 0.00 175.35 172.42 2kh2 s SER 17 N -3.19 4.32 -0.18 2.83 0.01 0.12 -3.77 113.70 113.83 2kh2 s SER 17 Ca 0.61 -0.12 -0.24 0.00 1.31 0.00 0.00 55.95 57.51 2kh2 s SER 17 Cb -0.15 -1.01 -0.02 0.00 0.21 0.00 0.00 66.02 65.06 2kh2 s SER 17 CO 0.43 0.35 0.79 -0.76 0.41 0.00 0.00 173.24 174.46 2kh2 s LEU 18 N -0.75 4.16 0.12 2.44 1.43 -1.26 -1.64 118.68 123.18 2kh2 s LEU 18 Ca 0.11 1.09 0.08 0.00 -1.03 0.00 0.00 54.13 54.39 2kh2 s LEU 18 Cb -0.11 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 2kh2 s LEU 18 CO 0.01 -0.38 -0.20 0.68 0.23 0.00 0.00 176.35 176.68 2kh2 s VAL 19 N 2.16 1.73 -0.34 -1.59 -7.23 0.21 -1.73 120.40 113.61 2kh2 s VAL 19 Ca 0.36 -1.62 -0.27 0.00 -1.81 0.00 0.00 61.98 58.63 2kh2 s VAL 19 Cb -0.16 -1.61 0.02 0.00 0.56 0.00 0.00 36.38 35.18 2kh2 s VAL 19 CO 0.11 -0.12 1.00 -0.04 -0.31 0.00 0.00 175.10 175.75 2kh2 s MET 20 N -2.10 3.97 0.00 4.82 -1.94 -1.26 -1.16 119.30 121.64 2kh2 s MET 20 Ca 0.08 0.85 0.00 0.00 -1.71 0.00 0.00 55.69 54.92 2kh2 s MET 20 Cb -0.09 -3.76 0.00 0.00 2.01 0.00 0.00 34.83 32.99 2kh2 s MET 20 CO 0.05 -0.91 0.00 0.45 -0.01 0.00 0.00 175.02 174.59 2kh2 n SER 21 N 6.82 0.00 -2.19 3.03 2.88 -0.02 -4.95 113.62 119.19 2kh2 n SER 21 Ca 0.10 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.62 2kh2 n SER 21 Cb 0.48 0.00 0.01 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 2.81 0.76 0.26 0.46 0.00 -1.21 -4.92 105.19 103.35 2kh2 n GLY 22 Ca 0.00 -1.96 0.07 0.00 0.00 0.00 0.00 46.02 44.13 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 0.04 -0.29 1.61 0.13 -2.04 -3.10 132.00 128.36 2kh2 h PRO 23 Ca -0.02 -0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.87 2kh2 h PRO 23 Cb 0.09 -0.01 -0.37 0.00 0.13 0.00 0.00 31.00 30.84 2kh2 h PRO 23 CO 0.03 0.04 -1.01 0.66 -0.23 0.00 0.00 178.00 177.49 2kh2 n TYR 24 N -4.52 0.90 -4.53 1.56 4.01 -1.26 -5.07 117.16 108.25 2kh2 n TYR 24 Ca -0.02 -1.55 -0.21 0.00 -0.16 0.00 0.00 57.90 55.95 2kh2 n TYR 24 Cb 0.10 -0.22 -0.15 0.00 -0.31 0.00 0.00 39.34 38.76 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 -2.46 1.10 -0.04 -0.72 2.12 -1.17 -4.42 118.70 113.10 2kh2 s GLU 25 Ca 0.33 -0.41 0.06 0.00 0.36 0.00 0.00 54.97 55.31 2kh2 s GLU 25 Cb 0.36 -1.02 -0.01 0.00 0.26 0.00 0.00 34.13 33.71 2kh2 s GLU 25 CO -0.08 0.20 -0.23 -0.51 -0.54 0.00 0.00 175.26 174.10 2kh2 s LEU 26 N -0.05 2.03 0.15 2.70 1.43 -1.26 -0.84 118.68 122.85 2kh2 s LEU 26 Ca 0.00 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 52.72 2kh2 s LEU 26 Cb -0.07 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 2kh2 s LEU 26 CO 0.00 0.24 -0.18 -0.54 0.23 0.00 0.00 176.35 176.10 2kh2 s LYS 27 N -0.23 1.21 -0.15 1.70 1.02 -0.31 -1.90 119.74 121.09 2kh2 s LYS 27 Ca -0.00 -1.35 0.02 0.00 0.02 0.00 0.00 55.97 54.65 2kh2 s LYS 27 Cb -0.12 -1.26 0.01 0.00 -0.52 0.00 0.00 37.83 35.95 2kh2 s LYS 27 CO 0.02 0.26 -0.20 0.00 -0.92 0.00 0.00 175.35 174.51 2kh2 s ALA 28 N -1.97 2.18 0.03 5.17 0.00 0.02 -0.62 121.76 126.56 2kh2 s ALA 28 Ca 0.13 -1.08 -0.19 0.00 0.00 0.00 0.00 51.96 50.82 2kh2 s ALA 28 Cb -0.06 -1.04 0.04 0.00 0.00 0.00 0.00 23.12 22.06 2kh2 s ALA 28 CO 0.06 -0.17 0.44 -0.48 0.00 0.00 0.00 175.76 175.60 2kh2 s LEU 29 N 1.05 0.29 0.13 0.00 0.05 -0.65 -3.30 118.68 116.26 2kh2 s LEU 29 Ca -0.02 0.10 -0.31 0.00 0.05 0.00 0.00 54.13 53.95 2kh2 s LEU 29 Cb -0.14 1.81 -0.10 0.00 -2.05 0.00 0.00 46.19 45.71 2kh2 s LEU 29 CO -0.06 -0.64 1.66 -1.00 -0.55 0.00 0.00 176.35 175.76 2kh2 s HIS 30 N -2.20 2.68 -0.18 3.48 3.76 -1.26 0.13 115.29 121.71 2kh2 s HIS 30 Ca -0.07 0.38 0.00 0.00 -0.15 0.00 0.00 55.06 55.22 2kh2 s HIS 30 Cb -0.01 -4.01 0.04 0.00 1.11 0.00 0.00 32.58 29.71 2kh2 s HIS 30 CO -0.00 -3.93 -0.08 -1.17 -0.85 0.00 0.00 174.74 168.70 2kh2 s LEU 31 N 1.89 1.90 0.00 0.89 2.96 -1.26 -4.87 118.68 120.19 2kh2 s LEU 31 Ca 0.74 -0.74 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 2kh2 s LEU 31 Cb -0.44 -1.07 0.00 0.00 0.50 0.00 0.00 46.19 45.18 2kh2 s LEU 31 CO 0.32 -0.16 0.00 0.00 -1.32 0.00 0.00 176.35 175.20 2kh2 n GLN 32 N 4.78 2.82 0.00 1.98 6.02 -1.26 -4.76 117.38 126.96 2kh2 n GLN 32 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 2kh2 n GLN 32 Cb 0.47 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.73 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 3.52 1.83 0.09 1.08 0.00 -1.26 -3.31 105.19 107.13 2kh2 n GLY 33 Ca 0.00 -0.53 0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 13.02 1.45 -0.24 1.61 -0.06 -1.26 -4.54 117.38 127.35 2kh2 n GLN 34 Ca 0.00 -2.51 0.07 0.00 -2.00 0.00 0.00 57.00 52.56 2kh2 n GLN 34 Cb 0.00 -1.48 0.20 0.00 -4.06 0.00 0.00 30.24 24.91 2kh2 n GLN 34 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2kh2 n ASP 35 N -1.35 3.25 0.26 1.69 9.92 -1.21 -4.51 116.55 124.60 2kh2 n ASP 35 Ca 0.15 -2.05 0.14 0.00 -0.53 0.00 0.00 54.79 52.49 2kh2 n ASP 35 Cb 0.62 -0.31 0.64 0.00 -0.64 0.00 0.00 41.12 41.43 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 2.58 0.00 0.00 -1.24 4.05 -1.80 -2.92 114.93 115.61 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 0.84 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 2kh2 h MET 36 CO 0.02 0.12 0.00 0.39 0.23 0.00 0.00 176.91 177.67 2kh2 n GLU 37 N -3.35 0.56 -0.31 0.39 -0.58 -1.26 -2.01 120.64 114.08 2kh2 n GLU 37 Ca -0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.85 2kh2 n GLU 37 Cb 0.32 -1.10 0.29 0.00 -0.57 0.00 0.00 31.44 30.38 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 -0.60 2.59 -1.98 3.49 6.02 -1.10 -4.97 117.38 120.82 2kh2 n GLN 38 Ca 0.03 -2.46 -0.39 0.00 -0.01 0.00 0.00 57.00 54.16 2kh2 n GLN 38 Cb 0.01 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 29.73 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 -1.19 3.87 0.16 -1.09 -2.07 -0.85 -4.82 119.66 113.66 2kh2 s GLN 39 Ca 0.45 2.22 -0.30 0.00 -1.82 0.00 0.00 55.36 55.91 2kh2 s GLN 39 Cb 0.24 -2.71 -0.07 0.00 -1.09 0.00 0.00 33.01 29.38 2kh2 s GLN 39 CO 0.32 -0.60 0.99 0.08 -1.32 0.00 0.00 175.29 174.77 2kh2 s VAL 40 N -1.25 4.24 -0.18 3.63 1.01 -0.70 -5.04 120.40 122.11 2kh2 s VAL 40 Ca 0.58 1.96 -0.07 0.00 0.00 0.00 0.00 61.98 64.45 2kh2 s VAL 40 Cb -0.39 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 2kh2 s VAL 40 CO 0.50 0.35 0.05 -0.69 0.00 0.00 0.00 175.10 175.31 2kh2 s VAL 41 N -0.32 4.65 -0.17 2.92 1.01 -1.26 -4.63 120.40 122.60 2kh2 s VAL 41 Ca 0.46 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.30 2kh2 s VAL 41 Cb -0.25 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2kh2 s VAL 41 CO 0.32 0.46 0.01 -0.36 0.00 0.00 0.00 175.10 175.53 2kh2 s PHE 42 N 0.39 3.14 -0.19 5.22 0.08 -0.08 -1.59 117.98 124.95 2kh2 s PHE 42 Ca 0.02 -0.11 -0.19 0.00 0.12 0.00 0.00 56.93 56.77 2kh2 s PHE 42 Cb -0.13 -2.02 -0.03 0.00 -0.57 0.00 0.00 43.02 40.27 2kh2 s PHE 42 CO 0.01 0.06 0.55 -1.12 -0.10 0.00 0.00 175.22 174.61 2kh2 s SER 43 N 0.38 6.62 -0.32 1.36 0.01 0.21 -1.93 113.70 120.02 2kh2 s SER 43 Ca -0.00 0.74 -0.14 0.00 1.31 0.00 0.00 55.95 57.86 2kh2 s SER 43 Cb -0.13 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 2kh2 s SER 43 CO 0.02 -0.19 0.29 -0.04 0.41 0.00 0.00 173.24 173.73 2kh2 s MET 44 N 1.61 3.66 -0.15 12.44 -1.94 0.98 -2.85 119.30 133.04 2kh2 s MET 44 Ca 0.26 -0.43 -0.08 0.00 -1.71 0.00 0.00 55.69 53.74 2kh2 s MET 44 Cb -0.16 -3.77 -0.04 0.00 2.01 0.00 0.00 34.83 32.88 2kh2 s MET 44 CO 0.10 -0.41 0.11 -1.12 -0.01 0.00 0.00 175.02 173.69 2kh2 s SER 45 N 1.72 6.08 -0.56 3.03 0.01 -1.03 -1.48 113.70 121.48 2kh2 s SER 45 Ca 0.09 0.29 -0.27 0.00 1.31 0.00 0.00 55.95 57.37 2kh2 s SER 45 Cb -0.17 -2.00 0.03 0.00 0.21 0.00 0.00 66.02 64.10 2kh2 s SER 45 CO 0.11 0.29 1.12 -0.36 0.41 0.00 0.00 173.24 174.81 2kh2 s PHE 46 N -0.31 2.68 0.18 2.43 0.40 -0.53 -0.41 117.98 122.42 2kh2 s PHE 46 Ca 0.10 0.36 0.03 0.00 -0.60 0.00 0.00 56.93 56.82 2kh2 s PHE 46 Cb -0.12 -4.40 -0.03 0.00 0.51 0.00 0.00 43.02 38.98 2kh2 s PHE 46 CO 0.01 -1.49 0.31 0.14 0.70 0.00 0.00 175.22 174.89 2kh2 s VAL 47 N 4.65 5.28 -0.17 -0.44 -7.23 -1.15 -4.75 120.40 116.59 2kh2 s VAL 47 Ca 0.41 -0.81 -0.15 0.00 -1.81 0.00 0.00 61.98 59.61 2kh2 s VAL 47 Cb -0.09 -3.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.04 2kh2 s VAL 47 CO 0.25 -0.18 0.37 -1.58 -0.31 0.00 0.00 175.10 173.65 2kh2 s GLN 48 N -3.51 4.23 0.00 4.82 0.74 -1.19 -4.73 119.66 120.03 2kh2 s GLN 48 Ca 0.34 0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.95 2kh2 s GLN 48 Cb -0.10 -3.48 0.00 0.00 1.10 0.00 0.00 33.01 30.53 2kh2 s GLN 48 CO 0.29 0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.53 2kh2 n GLY 49 N 3.62 -0.20 3.52 2.59 0.00 -1.26 -4.96 105.19 108.50 2kh2 n GLY 49 Ca -0.09 0.51 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 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 3.26 -0.71 1.61 2.56 -1.26 -4.95 118.70 119.21 2kh2 s GLU 50 Ca 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 54.97 54.28 2kh2 s GLU 50 Cb 0.00 -4.43 0.18 0.00 2.00 0.00 0.00 34.13 31.88 2kh2 s GLU 50 CO 0.00 -2.04 0.55 -2.00 -0.56 0.00 0.00 175.26 171.21 2kh2 s GLU 51 N 4.93 2.84 0.08 4.30 2.12 -1.26 -3.86 118.70 127.85 2kh2 s GLU 51 Ca 0.33 -2.69 0.01 0.00 0.36 0.00 0.00 54.97 52.98 2kh2 s GLU 51 Cb -0.09 -3.86 0.01 0.00 0.26 0.00 0.00 34.13 30.45 2kh2 s GLU 51 CO 0.08 -1.21 0.11 -1.13 -0.54 0.00 0.00 175.26 172.58 2kh2 n SER 52 N 3.28 0.30 0.10 -1.70 3.41 -0.68 -5.01 113.62 113.32 2kh2 n SER 52 Ca 0.11 -1.22 0.13 0.00 -0.26 0.00 0.00 58.87 57.64 2kh2 n SER 52 Cb 0.39 -0.06 0.39 0.00 -0.26 0.00 0.00 64.21 64.67 2kh2 n SER 52 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kh2 n ASN 53 N -2.91 0.77 -0.00 4.04 5.15 -1.26 -4.14 115.26 116.91 2kh2 n ASN 53 Ca 0.02 0.53 -0.00 0.00 -0.60 0.00 0.00 54.58 54.53 2kh2 n ASN 53 Cb 0.09 -0.69 -0.00 0.00 -0.53 0.00 0.00 39.78 38.64 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2kh2 n ASP 54 N -2.22 4.39 -4.48 1.20 5.75 -1.26 -4.93 116.55 115.00 2kh2 n ASP 54 Ca 0.05 -0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.41 2kh2 n ASP 54 Cb 0.43 0.24 -0.10 0.00 -1.03 0.00 0.00 41.12 40.66 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 -2.01 3.13 -0.27 0.11 1.02 -1.26 -1.36 119.74 119.10 2kh2 s LYS 55 Ca -0.01 -0.86 -0.06 0.00 0.02 0.00 0.00 55.97 55.06 2kh2 s LYS 55 Cb 0.00 -3.93 -0.00 0.00 -0.52 0.00 0.00 37.83 33.38 2kh2 s LYS 55 CO 0.02 -0.70 0.04 0.42 -0.92 0.00 0.00 175.35 174.22 2kh2 s ILE 56 N 1.79 3.85 -0.25 2.17 -1.09 -0.24 -1.68 121.20 125.75 2kh2 s ILE 56 Ca 0.07 -0.56 -0.29 0.00 -2.23 0.00 0.00 60.65 57.64 2kh2 s ILE 56 Cb -0.18 -2.89 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 2kh2 s ILE 56 CO 0.11 0.22 1.16 -2.16 -1.23 0.00 0.00 174.94 173.03 2kh2 s PRO 57 N 1.51 4.13 0.05 2.79 0.04 -1.25 0.28 135.00 142.54 2kh2 s PRO 57 Ca 0.04 1.33 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 2kh2 s PRO 57 Cb -0.16 -3.75 -0.02 0.00 0.04 0.00 0.00 34.50 30.61 2kh2 s PRO 57 CO 0.01 -0.83 0.04 0.14 0.04 0.00 0.00 177.00 176.40 2kh2 s VAL 58 N 3.65 0.17 0.15 -0.36 -7.23 0.32 -2.93 120.40 114.16 2kh2 s VAL 58 Ca 0.50 -1.38 -0.05 0.00 -1.81 0.00 0.00 61.98 59.23 2kh2 s VAL 58 Cb -0.16 -1.13 -0.06 0.00 0.56 0.00 0.00 36.38 35.59 2kh2 s VAL 58 CO 0.14 -0.76 0.39 0.00 -0.31 0.00 0.00 175.10 174.56 2kh2 s ALA 59 N -3.17 3.78 -0.25 1.32 0.00 0.45 -1.17 121.76 122.72 2kh2 s ALA 59 Ca -0.00 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.42 2kh2 s ALA 59 Cb 0.02 -2.14 0.07 0.00 0.00 0.00 0.00 23.12 21.07 2kh2 s ALA 59 CO -0.07 0.65 -0.04 -0.51 0.00 0.00 0.00 175.76 175.78 2kh2 s LEU 60 N -2.71 2.89 0.12 0.00 1.43 -1.26 -2.45 118.68 116.71 2kh2 s LEU 60 Ca 0.41 -1.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.19 2kh2 s LEU 60 Cb -0.12 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 2kh2 s LEU 60 CO 0.25 -0.26 -0.04 -0.83 0.23 0.00 0.00 176.35 175.70 2kh2 s GLY 61 N 1.32 0.93 0.05 -3.19 0.00 -1.13 -0.67 107.32 104.62 2kh2 s GLY 61 Ca -0.04 -1.43 -0.30 0.00 0.00 0.00 0.00 44.72 42.94 2kh2 s GLY 61 CO -0.07 -1.47 1.21 1.08 0.00 0.00 0.00 173.10 173.84 2kh2 s LEU 62 N -3.09 4.36 0.34 0.66 1.02 0.93 -0.62 118.68 122.28 2kh2 s LEU 62 Ca 0.16 2.00 -0.28 0.00 0.02 0.00 0.00 54.13 56.03 2kh2 s LEU 62 Cb 0.06 -3.58 -0.12 0.00 0.02 0.00 0.00 46.19 42.57 2kh2 s LEU 62 CO -0.02 -0.50 1.32 1.17 0.02 0.00 0.00 176.35 178.35 2kh2 n LYS 63 N 4.13 2.18 -1.32 1.70 4.81 -0.62 -1.96 118.16 127.08 2kh2 n LYS 63 Ca 0.09 0.76 -0.12 0.00 -0.87 0.00 0.00 58.31 58.17 2kh2 n LYS 63 Cb 0.46 -2.37 -0.05 0.00 0.02 0.00 0.00 35.03 33.09 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 0.66 -1.59 -4.42 1.64 0.28 -1.26 -4.93 120.64 111.02 2kh2 n GLU 64 Ca 0.05 0.87 -0.21 0.00 -0.16 0.00 0.00 57.16 57.71 2kh2 n GLU 64 Cb 0.36 -5.18 -0.09 0.00 1.43 0.00 0.00 31.44 27.96 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 -2.98 1.69 -0.09 3.44 1.02 -0.83 -5.04 119.74 116.96 2kh2 s LYS 65 Ca 0.00 -1.97 0.16 0.00 0.02 0.00 0.00 55.97 54.18 2kh2 s LYS 65 Cb 0.00 -0.50 0.56 0.00 -0.52 0.00 0.00 37.83 37.37 2kh2 s LYS 65 CO 0.00 -0.36 1.48 0.27 -0.92 0.00 0.00 175.35 175.82 2kh2 n ASN 66 N -0.90 4.02 -4.60 2.83 0.23 -1.26 -4.71 115.26 110.86 2kh2 n ASN 66 Ca -0.02 -2.41 -0.41 0.00 -0.53 0.00 0.00 54.58 51.21 2kh2 n ASN 66 Cb 0.66 -0.47 -0.07 0.00 -2.08 0.00 0.00 39.78 37.82 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 -1.76 4.14 0.10 -4.53 1.43 -1.26 -1.35 118.68 115.45 2kh2 s LEU 67 Ca 0.41 0.41 0.09 0.00 -1.03 0.00 0.00 54.13 54.01 2kh2 s LEU 67 Cb 0.27 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 2kh2 s LEU 67 CO 0.19 -0.42 -0.24 -0.31 0.23 0.00 0.00 176.35 175.80 2kh2 s TYR 68 N 2.49 2.04 0.04 0.29 1.51 -0.64 -0.05 117.35 123.03 2kh2 s TYR 68 Ca 0.23 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.59 2kh2 s TYR 68 Cb -0.15 -1.13 -0.05 0.00 -0.11 0.00 0.00 41.96 40.51 2kh2 s TYR 68 CO 0.11 0.24 1.21 -0.51 -1.11 0.00 0.00 175.55 175.49 2kh2 s LEU 69 N -1.82 4.35 0.01 -1.29 1.43 0.15 -0.81 118.68 120.69 2kh2 s LEU 69 Ca 0.10 1.98 0.04 0.00 -1.03 0.00 0.00 54.13 55.22 2kh2 s LEU 69 Cb -0.10 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 2kh2 s LEU 69 CO 0.04 -0.51 -0.11 -0.55 0.23 0.00 0.00 176.35 175.46 2kh2 s SER 70 N 1.19 1.33 -0.28 2.29 0.15 0.54 -4.56 113.70 114.36 2kh2 s SER 70 Ca 0.58 -0.27 -0.07 0.00 0.70 0.00 0.00 55.95 56.89 2kh2 s SER 70 Cb -0.29 -0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 63.89 2kh2 s SER 70 CO 0.28 0.09 0.08 0.00 1.20 0.00 0.00 173.24 174.89 2kh2 s VAL 72 N 1.55 0.53 -0.37 0.00 -7.23 -0.66 -4.74 120.40 109.48 2kh2 s VAL 72 Ca 0.04 -1.98 -0.18 0.00 -1.81 0.00 0.00 61.98 58.05 2kh2 s VAL 72 Cb -0.16 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.49 2kh2 s VAL 72 CO 0.03 -0.30 0.52 -0.76 -0.31 0.00 0.00 175.10 174.28 2kh2 s LEU 73 N -3.20 4.41 -0.34 1.32 1.43 -1.26 0.07 118.68 121.10 2kh2 s LEU 73 Ca 0.29 -0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.24 2kh2 s LEU 73 Cb 0.07 -2.59 0.07 0.00 0.03 0.00 0.00 46.19 43.77 2kh2 s LEU 73 CO 0.07 -0.53 0.08 -0.54 0.23 0.00 0.00 176.35 175.67 2kh2 s LYS 74 N 2.43 2.32 -0.89 1.70 1.02 0.95 -4.62 119.74 122.64 2kh2 s LYS 74 Ca 0.19 -1.43 -0.04 0.00 0.02 0.00 0.00 55.97 54.71 2kh2 s LYS 74 Cb -0.15 -3.35 -0.05 0.00 -0.52 0.00 0.00 37.83 33.75 2kh2 s LYS 74 CO 0.14 -0.77 0.78 -3.47 -0.92 0.00 0.00 175.35 171.11 2kh2 n ASP 75 N 4.64 -5.13 -1.70 2.83 4.64 -1.26 -2.91 116.55 117.66 2kh2 n ASP 75 Ca -0.10 -0.57 -0.17 0.00 -1.38 0.00 0.00 54.79 52.57 2kh2 n ASP 75 Cb 0.43 -4.40 -0.06 0.00 -1.04 0.00 0.00 41.12 36.05 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 -2.90 -4.54 -3.77 1.67 9.92 -1.26 -4.95 116.55 110.70 2kh2 n ASP 76 Ca -0.09 0.34 -0.17 0.00 -0.53 0.00 0.00 54.79 54.34 2kh2 n ASP 76 Cb 0.61 -4.04 -0.17 0.00 -0.64 0.00 0.00 41.12 36.88 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 -3.79 0.15 -0.02 -1.24 2.47 -1.15 -5.10 119.74 111.07 2kh2 s LYS 77 Ca 0.00 0.16 -0.30 0.00 -1.56 0.00 0.00 55.97 54.28 2kh2 s LYS 77 Cb 0.00 -0.45 -0.07 0.00 -1.46 0.00 0.00 37.83 35.85 2kh2 s LYS 77 CO 0.00 -0.19 1.77 -2.14 0.16 0.00 0.00 175.35 174.95 2kh2 s PRO 78 N 1.30 4.17 0.09 4.03 0.02 -1.26 -0.04 135.00 143.30 2kh2 s PRO 78 Ca -0.06 2.35 0.03 0.00 0.02 0.00 0.00 61.00 63.34 2kh2 s PRO 78 Cb -0.13 -4.04 -0.03 0.00 0.02 0.00 0.00 34.50 30.32 2kh2 s PRO 78 CO -0.03 -0.88 -0.09 0.99 -0.33 0.00 0.00 177.00 176.66 2kh2 s THR 79 N 4.15 0.84 0.12 0.99 2.01 0.11 -4.72 115.64 119.14 2kh2 s THR 79 Ca 0.79 -1.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.12 2kh2 s THR 79 Cb -0.37 -1.26 -0.06 0.00 0.01 0.00 0.00 72.50 70.82 2kh2 s THR 79 CO 0.34 -0.56 0.46 -0.22 -0.69 0.00 0.00 174.62 173.95 2kh2 s LEU 80 N -2.34 4.32 0.32 4.42 2.96 -1.26 -1.65 118.68 125.45 2kh2 s LEU 80 Ca 0.03 0.87 -0.14 0.00 -0.22 0.00 0.00 54.13 54.68 2kh2 s LEU 80 Cb -0.03 -3.15 0.02 0.00 0.50 0.00 0.00 46.19 43.53 2kh2 s LEU 80 CO -0.01 0.12 0.64 0.00 -1.32 0.00 0.00 176.35 175.79 2kh2 s GLN 81 N -2.05 1.90 -0.19 1.98 -2.07 -0.02 -4.89 119.66 114.32 2kh2 s GLN 81 Ca 0.36 -1.34 -0.04 0.00 -1.82 0.00 0.00 55.36 52.52 2kh2 s GLN 81 Cb -0.14 0.55 -0.02 0.00 -1.09 0.00 0.00 33.01 32.31 2kh2 s GLN 81 CO 0.19 -0.85 -0.02 -0.51 -1.32 0.00 0.00 175.29 172.78 2kh2 s LEU 82 N -3.05 3.15 -0.10 2.60 2.01 -1.26 -0.34 118.68 121.69 2kh2 s LEU 82 Ca 0.19 -0.24 0.01 0.00 0.01 0.00 0.00 54.13 54.09 2kh2 s LEU 82 Cb -0.03 -1.79 -0.02 0.00 0.01 0.00 0.00 46.19 44.35 2kh2 s LEU 82 CO 0.11 0.06 -0.11 -1.61 1.01 0.00 0.00 176.35 175.82 2kh2 s GLU 83 N 0.99 3.02 -0.75 1.70 2.02 0.01 -4.91 118.70 120.77 2kh2 s GLU 83 Ca 0.01 -0.64 -0.23 0.00 0.02 0.00 0.00 54.97 54.13 2kh2 s GLU 83 Cb -0.14 -2.58 0.07 0.00 0.10 0.00 0.00 34.13 31.58 2kh2 s GLU 83 CO 0.01 0.43 1.11 -1.12 0.02 0.00 0.00 175.26 175.72 2kh2 s SER 84 N -0.22 6.26 0.47 -0.19 0.01 -1.26 -1.62 113.70 117.15 2kh2 s SER 84 Ca 0.01 -1.04 -0.02 0.00 1.31 0.00 0.00 55.95 56.21 2kh2 s SER 84 Cb -0.13 -2.46 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 2kh2 s SER 84 CO 0.03 -1.50 0.72 0.68 0.41 0.00 0.00 173.24 173.59 2kh2 s VAL 85 N 4.38 4.29 -0.14 3.43 -7.23 -0.46 -5.00 120.40 119.67 2kh2 s VAL 85 Ca 0.29 -0.24 -0.33 0.00 -1.81 0.00 0.00 61.98 59.89 2kh2 s VAL 85 Cb -0.12 -3.62 -0.10 0.00 0.56 0.00 0.00 36.38 33.11 2kh2 s VAL 85 CO 0.07 -0.51 2.00 -0.67 -0.31 0.00 0.00 175.10 175.68 2kh2 n ASP 86 N -2.18 3.29 0.29 4.85 4.64 -1.26 -4.82 116.55 121.36 2kh2 n ASP 86 Ca 0.01 0.74 0.20 0.00 -1.38 0.00 0.00 54.79 54.35 2kh2 n ASP 86 Cb 0.57 -1.40 0.98 0.00 -1.04 0.00 0.00 41.12 40.23 2kh2 n ASP 86 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 2kh2 h PRO 87 N 10.93 0.00 0.00 -0.67 0.11 -1.92 -2.16 132.00 138.28 2kh2 h PRO 87 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2kh2 h PRO 87 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2kh2 h PRO 87 CO 0.96 0.00 -0.68 0.36 -0.21 0.00 0.00 178.00 178.43 2kh2 n LYS 88 N -2.93 2.64 -0.09 1.05 2.85 -1.26 -4.37 118.16 116.04 2kh2 n LYS 88 Ca -0.02 -0.01 0.09 0.00 -1.05 0.00 0.00 58.31 57.33 2kh2 n LYS 88 Cb 0.13 -1.11 0.14 0.00 -0.65 0.00 0.00 35.03 33.53 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 -1.36 2.88 -4.07 -5.58 3.02 -0.98 -4.95 115.26 104.23 2kh2 n ASN 89 Ca 0.02 -1.85 -0.14 0.00 -0.03 0.00 0.00 54.58 52.58 2kh2 n ASN 89 Cb 0.21 -0.12 -0.12 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.39 0.71 0.91 3.10 1.51 -0.85 -4.50 117.35 116.85 2kh2 s TYR 90 Ca 0.27 -0.47 -0.13 0.00 -1.01 0.00 0.00 57.07 55.74 2kh2 s TYR 90 Cb 0.17 -0.43 0.18 0.00 -0.11 0.00 0.00 41.96 41.78 2kh2 s TYR 90 CO 0.25 -0.06 1.26 -1.25 -1.11 0.00 0.00 175.55 174.63 2kh2 s PRO 91 N -1.49 0.88 0.13 -1.71 0.04 -1.26 -4.82 135.00 126.77 2kh2 s PRO 91 Ca -0.08 -0.51 -0.09 0.00 0.04 0.00 0.00 61.00 60.36 2kh2 s PRO 91 Cb -0.09 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 2kh2 s PRO 91 CO 0.01 -2.21 0.24 -1.59 0.04 0.00 0.00 177.00 173.48 2kh2 s LYS 92 N -5.75 1.01 0.06 4.56 -2.85 -1.26 -5.07 119.74 110.44 2kh2 s LYS 92 Ca 0.72 -1.08 -0.23 0.00 -1.00 0.00 0.00 55.97 54.39 2kh2 s LYS 92 Cb -0.04 0.36 -0.14 0.00 -2.06 0.00 0.00 37.83 35.94 2kh2 s LYS 92 CO 0.51 -0.35 1.55 -0.22 0.10 0.00 0.00 175.35 176.94 2kh2 h LYS 93 N 2.64 0.12 -3.91 1.78 3.64 -1.98 -3.37 116.57 115.49 2kh2 h LYS 93 Ca -0.33 -0.03 -0.76 0.00 -1.27 0.00 0.00 60.65 58.27 2kh2 h LYS 93 Cb 1.22 -0.02 -0.28 0.00 -0.41 0.00 0.00 32.23 32.74 2kh2 h LYS 93 CO 0.52 0.29 -0.13 0.21 -2.27 0.00 0.00 179.45 178.08 2kh2 s LYS 94 N -5.34 3.12 0.85 1.90 2.47 -1.26 -3.16 119.74 118.32 2kh2 s LYS 94 Ca -0.14 -2.22 -0.11 0.00 -1.56 0.00 0.00 55.97 51.94 2kh2 s LYS 94 Cb 0.05 -4.20 0.15 0.00 -1.46 0.00 0.00 37.83 32.37 2kh2 s LYS 94 CO 0.68 -1.26 1.18 -1.64 0.16 0.00 0.00 175.35 174.48 2kh2 s MET 95 N 0.59 1.27 0.54 4.03 -1.94 -1.26 -5.05 119.30 117.48 2kh2 s MET 95 Ca 0.13 -0.48 -0.19 0.00 -1.71 0.00 0.00 55.69 53.44 2kh2 s MET 95 Cb -0.18 -2.02 -0.06 0.00 2.01 0.00 0.00 34.83 34.58 2kh2 s MET 95 CO -0.04 -1.92 1.09 -1.21 -0.01 0.00 0.00 175.02 172.93 2kh2 s GLU 96 N -5.58 3.45 0.48 2.03 8.01 -1.26 -4.90 118.70 120.92 2kh2 s GLU 96 Ca 0.69 1.46 0.16 0.00 0.01 0.00 0.00 54.97 57.28 2kh2 s GLU 96 Cb -0.06 -2.03 1.17 0.00 -4.31 0.00 0.00 34.13 28.89 2kh2 s GLU 96 CO 0.49 -0.74 2.07 -0.22 0.01 0.00 0.00 175.26 176.87 2kh2 h LYS 97 N 1.12 0.18 0.00 1.61 3.64 -1.96 0.67 116.57 121.83 2kh2 h LYS 97 Ca -0.49 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2kh2 h LYS 97 Cb 1.24 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2kh2 h LYS 97 CO 0.57 0.12 0.00 2.89 -2.27 0.00 0.00 179.45 180.77 2kh2 n ARG 98 N -4.48 0.49 -0.01 1.90 1.85 -1.26 -2.95 116.66 112.20 2kh2 n ARG 98 Ca 0.03 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.93 2kh2 n ARG 98 Cb 0.24 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.19 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 -1.25 0.03 -3.49 2.89 3.72 0.19 -1.22 117.46 118.32 2kh2 n PHE 99 Ca 0.15 -0.04 -0.38 0.00 -0.05 0.00 0.00 57.45 57.13 2kh2 n PHE 99 Cb 0.22 -0.00 -0.09 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 -0.76 5.25 0.05 -4.37 1.01 -0.96 -4.16 120.40 116.46 2kh2 s VAL 100 Ca 0.11 0.42 0.06 0.00 0.00 0.00 0.00 61.98 62.57 2kh2 s VAL 100 Cb 0.08 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 2kh2 s VAL 100 CO 0.11 0.24 -0.14 -0.36 0.00 0.00 0.00 175.10 174.95 2kh2 s PHE 101 N 1.63 2.67 -0.43 5.22 0.40 -0.31 -1.92 117.98 125.23 2kh2 s PHE 101 Ca 0.12 -0.19 -0.10 0.00 -0.60 0.00 0.00 56.93 56.16 2kh2 s PHE 101 Cb -0.15 -1.49 0.08 0.00 0.51 0.00 0.00 43.02 41.97 2kh2 s PHE 101 CO 0.09 0.32 0.28 -0.80 0.70 0.00 0.00 175.22 175.80 2kh2 s ASN 102 N -1.59 5.72 -0.71 1.36 -0.87 0.18 -0.53 114.94 118.51 2kh2 s ASN 102 Ca 0.16 -1.46 -0.27 0.00 -1.57 0.00 0.00 52.86 49.73 2kh2 s ASN 102 Cb -0.11 -2.02 0.01 0.00 -0.02 0.00 0.00 41.25 39.11 2kh2 s ASN 102 CO 0.07 -0.55 1.49 -0.75 -2.57 0.00 0.00 177.10 174.80 2kh2 s LYS 103 N 1.46 3.00 0.12 -0.60 2.20 0.14 -1.44 119.74 124.63 2kh2 s LYS 103 Ca 0.03 0.01 -0.16 0.00 -0.36 0.00 0.00 55.97 55.49 2kh2 s LYS 103 Cb -0.23 -4.31 -0.07 0.00 -1.51 0.00 0.00 37.83 31.71 2kh2 s LYS 103 CO 0.03 -2.37 0.56 0.42 -0.36 0.00 0.00 175.35 173.63 2kh2 s ILE 104 N 6.92 4.80 -0.50 5.43 1.01 0.11 -1.07 121.20 137.89 2kh2 s ILE 104 Ca 0.47 1.00 0.04 0.00 0.00 0.00 0.00 60.65 62.16 2kh2 s ILE 104 Cb -0.09 -3.80 0.16 0.00 0.01 0.00 0.00 42.46 38.74 2kh2 s ILE 104 CO 0.16 0.36 0.35 -1.61 0.00 0.00 0.00 174.94 174.20 2kh2 s GLU 105 N -1.63 1.46 0.13 2.79 2.02 -0.47 -0.69 118.70 122.32 2kh2 s GLU 105 Ca 0.35 -2.42 -0.13 0.00 0.02 0.00 0.00 54.97 52.79 2kh2 s GLU 105 Cb -0.17 -2.25 -0.02 0.00 0.10 0.00 0.00 34.13 31.80 2kh2 s GLU 105 CO 0.19 -1.29 1.54 -0.84 0.02 0.00 0.00 175.26 174.88 2kh2 h ILE 106 N 4.73 1.27 0.00 -1.63 3.07 -1.87 -3.46 117.51 119.62 2kh2 h ILE 106 Ca 0.15 -1.21 0.00 0.00 1.55 0.00 0.00 64.86 65.35 2kh2 h ILE 106 Cb 0.87 1.17 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 2kh2 h ILE 106 CO 0.50 0.41 0.00 -0.46 -1.05 0.00 0.00 178.15 177.55 2kh2 n ASN 107 N -4.30 0.00 -0.23 2.16 0.23 -1.26 -5.00 115.26 106.87 2kh2 n ASN 107 Ca -0.01 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.17 2kh2 n ASN 107 Cb 0.37 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.39 2kh2 n ASN 107 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2kh2 n ASN 108 N 0.00 1.05 -4.42 0.53 6.94 -1.26 -4.86 115.26 113.24 2kh2 n ASN 108 Ca 0.00 -0.87 -0.29 0.00 -0.02 0.00 0.00 54.58 53.41 2kh2 n ASN 108 Cb 0.00 0.20 -0.12 0.00 -2.36 0.00 0.00 39.78 37.50 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2kh2 s LYS 109 N -2.58 1.51 0.01 -3.83 -0.14 -1.26 -4.96 119.74 108.50 2kh2 s LYS 109 Ca 0.22 -1.36 0.09 0.00 -1.36 0.00 0.00 55.97 53.55 2kh2 s LYS 109 Cb 0.19 -1.93 -0.02 0.00 -1.68 0.00 0.00 37.83 34.38 2kh2 s LYS 109 CO 0.56 0.44 -0.26 -0.48 -0.76 0.00 0.00 175.35 174.85 2kh2 s LEU 110 N -2.23 2.11 0.11 3.17 0.05 -0.55 -3.71 118.68 117.63 2kh2 s LEU 110 Ca 0.16 -0.53 0.09 0.00 0.05 0.00 0.00 54.13 53.90 2kh2 s LEU 110 Cb -0.10 -1.30 -0.04 0.00 -2.05 0.00 0.00 46.19 42.70 2kh2 s LEU 110 CO 0.08 0.28 -0.20 -1.61 -0.55 0.00 0.00 176.35 174.36 2kh2 s GLU 111 N -0.94 1.76 -0.36 1.48 2.02 0.13 0.05 118.70 122.84 2kh2 s GLU 111 Ca 0.11 -1.18 -0.05 0.00 0.02 0.00 0.00 54.97 53.87 2kh2 s GLU 111 Cb -0.10 -2.09 0.06 0.00 0.10 0.00 0.00 34.13 32.11 2kh2 s GLU 111 CO 0.01 0.48 0.13 -0.06 0.02 0.00 0.00 175.26 175.84 2kh2 s PHE 112 N -1.09 3.34 0.11 1.61 0.08 -1.26 0.08 117.98 120.85 2kh2 s PHE 112 Ca 0.17 -1.76 -0.06 0.00 0.12 0.00 0.00 56.93 55.40 2kh2 s PHE 112 Cb -0.10 -2.56 -0.05 0.00 -0.57 0.00 0.00 43.02 39.74 2kh2 s PHE 112 CO 0.09 -0.82 0.36 -2.00 -0.10 0.00 0.00 175.22 172.75 2kh2 s GLU 113 N 1.31 3.63 -0.10 0.44 2.12 -0.52 -1.85 118.70 123.73 2kh2 s GLU 113 Ca 0.00 -0.05 -0.21 0.00 0.36 0.00 0.00 54.97 55.08 2kh2 s GLU 113 Cb -0.21 -2.91 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 2kh2 s GLU 113 CO 0.00 0.51 0.58 0.45 -0.54 0.00 0.00 175.26 176.27 2kh2 s SER 114 N -2.22 6.81 0.26 -1.70 0.15 -0.14 0.52 113.70 117.38 2kh2 s SER 114 Ca 0.38 0.97 0.04 0.00 0.70 0.00 0.00 55.95 58.03 2kh2 s SER 114 Cb -0.13 -2.34 0.32 0.00 -1.71 0.00 0.00 66.02 62.16 2kh2 s SER 114 CO 0.22 -0.07 1.62 0.00 1.20 0.00 0.00 173.24 176.22 2kh2 h ALA 115 N 6.79 0.95 -0.52 5.45 0.00 -1.61 -2.87 119.26 127.47 2kh2 h ALA 115 Ca -0.40 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 53.97 2kh2 h ALA 115 Cb 1.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2kh2 h ALA 115 CO 0.76 0.65 0.05 0.37 0.00 0.00 0.00 179.25 181.08 2kh2 h GLN 116 N 0.25 0.88 -3.10 0.00 5.75 -1.74 -3.38 115.11 113.77 2kh2 h GLN 116 Ca 0.01 -0.25 -0.62 0.00 -0.15 0.00 0.00 58.65 57.64 2kh2 h GLN 116 Cb 0.95 -0.09 -0.40 0.00 1.07 0.00 0.00 27.48 29.00 2kh2 h GLN 116 CO 0.08 0.88 -0.70 -0.06 -2.65 0.00 0.00 178.83 176.38 2kh2 s PHE 117 N -5.12 2.43 0.49 3.99 0.08 -1.13 -5.06 117.98 113.66 2kh2 s PHE 117 Ca -0.12 -2.71 -0.24 0.00 0.12 0.00 0.00 56.93 53.98 2kh2 s PHE 117 Cb 0.12 -2.20 -0.07 0.00 -0.57 0.00 0.00 43.02 40.29 2kh2 s PHE 117 CO 0.82 -0.76 1.35 -2.30 -0.10 0.00 0.00 175.22 174.23 2kh2 n PRO 118 N 3.30 1.92 -0.98 0.24 -0.02 -1.10 -2.29 135.00 136.07 2kh2 n PRO 118 Ca 0.09 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2kh2 n PRO 118 Cb 0.34 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 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 -0.42 -0.22 -4.41 2.55 5.03 -1.26 -5.01 115.26 111.52 2kh2 n ASN 119 Ca 0.08 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.17 2kh2 n ASN 119 Cb 0.42 -0.04 -0.13 0.00 -1.02 0.00 0.00 39.78 39.02 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 -3.81 3.04 0.31 3.10 0.52 -0.97 -4.59 118.94 116.54 2kh2 s TRP 120 Ca 0.00 -0.57 0.10 0.00 0.02 0.00 0.00 56.10 55.66 2kh2 s TRP 120 Cb 0.00 -2.17 -0.05 0.00 -1.15 0.00 0.00 33.47 30.09 2kh2 s TRP 120 CO 0.00 -0.39 -0.10 0.71 0.02 0.00 0.00 176.95 177.19 2kh2 s TYR 121 N 1.46 2.42 -0.00 -1.98 1.51 -0.06 -0.96 117.35 119.74 2kh2 s TYR 121 Ca 0.05 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.42 2kh2 s TYR 121 Cb -0.15 -1.23 -0.06 0.00 -0.11 0.00 0.00 41.96 40.41 2kh2 s TYR 121 CO 0.01 0.62 1.46 0.42 -1.11 0.00 0.00 175.55 176.95 2kh2 s ILE 122 N -2.52 3.62 0.16 2.71 1.01 -0.77 -0.29 121.20 125.12 2kh2 s ILE 122 Ca 0.32 0.98 0.10 0.00 0.00 0.00 0.00 60.65 62.05 2kh2 s ILE 122 Cb -0.02 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 2kh2 s ILE 122 CO 0.17 -0.01 -0.23 -0.44 0.00 0.00 0.00 174.94 174.43 2kh2 s SER 123 N 2.11 3.12 -0.13 3.58 0.01 0.65 -4.25 113.70 118.78 2kh2 s SER 123 Ca 0.66 -0.82 -0.06 0.00 1.31 0.00 0.00 55.95 57.04 2kh2 s SER 123 Cb -0.32 -0.21 0.06 0.00 0.21 0.00 0.00 66.02 65.75 2kh2 s SER 123 CO 0.27 0.08 0.30 -0.89 0.41 0.00 0.00 173.24 173.41 2kh2 s THR 124 N -1.59 -0.21 1.13 1.44 2.01 -0.41 -2.74 115.64 115.26 2kh2 s THR 124 Ca 0.17 0.18 -0.16 0.00 0.31 0.00 0.00 61.69 62.19 2kh2 s THR 124 Cb -0.08 -0.47 0.25 0.00 0.01 0.00 0.00 72.50 72.21 2kh2 s THR 124 CO 0.08 0.08 1.08 -0.44 -0.69 0.00 0.00 174.62 174.73 2kh2 s SER 125 N 1.77 1.52 0.39 3.53 0.01 -1.26 -0.57 113.70 119.09 2kh2 s SER 125 Ca -0.05 0.96 0.21 0.00 1.31 0.00 0.00 55.95 58.38 2kh2 s SER 125 Cb -0.11 -1.45 0.44 0.00 0.21 0.00 0.00 66.02 65.11 2kh2 s SER 125 CO -0.10 -3.79 1.62 1.56 0.41 0.00 0.00 173.24 172.94 2kh2 h GLN 126 N -2.35 0.00 -6.96 12.44 1.08 -1.99 -3.45 115.11 113.89 2kh2 h GLN 126 Ca -0.51 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.16 2kh2 h GLN 126 Cb 1.32 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 28.84 2kh2 h GLN 126 CO 0.46 0.22 0.62 0.00 -0.95 0.00 0.00 178.83 179.17 2kh2 s ALA 127 N -3.24 3.23 0.41 3.87 0.00 -1.26 -5.00 121.76 119.77 2kh2 s ALA 127 Ca 0.04 1.25 -0.20 0.00 0.00 0.00 0.00 51.96 53.05 2kh2 s ALA 127 Cb 0.07 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.59 2kh2 s ALA 127 CO 0.68 -0.88 0.91 -2.00 0.00 0.00 0.00 175.76 174.47 2kh2 s GLU 128 N -2.31 4.20 -0.67 0.00 2.56 -1.26 -3.92 118.70 117.29 2kh2 s GLU 128 Ca 0.58 1.04 -0.00 0.00 0.00 0.00 0.00 54.97 56.59 2kh2 s GLU 128 Cb -0.38 -2.24 0.00 0.00 2.00 0.00 0.00 34.13 33.50 2kh2 s GLU 128 CO 0.49 0.01 0.01 -1.71 -0.56 0.00 0.00 175.26 173.50 2kh2 n ASN 129 N -0.56 -2.87 -4.88 -1.70 5.15 -1.21 -5.03 115.26 104.17 2kh2 n ASN 129 Ca 0.06 -0.01 -0.36 0.00 -0.60 0.00 0.00 54.58 53.67 2kh2 n ASN 129 Cb 0.54 -2.17 -0.06 0.00 -0.53 0.00 0.00 39.78 37.56 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 -4.41 3.54 0.97 1.20 -1.94 -1.23 -4.90 119.30 112.53 2kh2 s MET 130 Ca 0.00 -0.05 -0.13 0.00 -1.71 0.00 0.00 55.69 53.80 2kh2 s MET 130 Cb -0.00 -3.17 0.17 0.00 2.01 0.00 0.00 34.83 33.84 2kh2 s MET 130 CO 0.01 0.73 1.14 -2.14 -0.01 0.00 0.00 175.02 174.75 2kh2 s PRO 131 N -1.25 0.65 -0.21 2.03 0.02 -1.26 -0.80 135.00 134.17 2kh2 s PRO 131 Ca 0.20 0.22 -0.14 0.00 0.02 0.00 0.00 61.00 61.30 2kh2 s PRO 131 Cb -0.13 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.56 2kh2 s PRO 131 CO 0.09 -2.52 0.31 0.08 -0.33 0.00 0.00 177.00 174.63 2kh2 s VAL 132 N -3.24 5.26 0.33 3.83 1.01 -0.80 -4.74 120.40 122.05 2kh2 s VAL 132 Ca 0.66 0.51 0.04 0.00 0.00 0.00 0.00 61.98 63.19 2kh2 s VAL 132 Cb -0.14 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2kh2 s VAL 132 CO 0.54 0.29 0.18 0.72 0.00 0.00 0.00 175.10 176.83 2kh2 s PHE 133 N 1.19 1.66 -0.21 5.22 -0.71 -1.11 -4.80 117.98 119.22 2kh2 s PHE 133 Ca 0.15 -1.41 -0.08 0.00 -1.04 0.00 0.00 56.93 54.55 2kh2 s PHE 133 Cb -0.14 -0.88 -0.04 0.00 -1.21 0.00 0.00 43.02 40.74 2kh2 s PHE 133 CO 0.06 -0.55 0.08 -1.17 -1.34 0.00 0.00 175.22 172.31 2kh2 s LEU 134 N -3.42 3.76 0.19 -1.99 2.96 -1.26 -0.26 118.68 118.66 2kh2 s LEU 134 Ca 0.34 0.00 0.09 0.00 -0.22 0.00 0.00 54.13 54.35 2kh2 s LEU 134 Cb 0.04 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 2kh2 s LEU 134 CO 0.19 0.09 -0.19 -0.83 -1.32 0.00 0.00 176.35 174.29 2kh2 s GLY 135 N 0.87 1.51 0.00 7.98 0.00 0.61 -4.84 107.32 113.45 2kh2 s GLY 135 Ca 0.04 -1.58 0.11 0.00 0.00 0.00 0.00 44.72 43.30 2kh2 s GLY 135 CO 0.03 -1.63 1.20 0.61 0.00 0.00 0.00 173.10 173.30 2kh2 n GLY 136 N 0.13 2.18 3.23 0.20 0.00 -1.26 -0.88 105.19 108.79 2kh2 n GLY 136 Ca -0.12 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 2kh2 n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kh2 s THR 137 N -1.00 5.04 -0.00 2.61 -4.23 -1.26 -4.93 115.64 111.87 2kh2 s THR 137 Ca 0.23 -3.10 -0.28 0.00 -1.18 0.00 0.00 61.69 57.36 2kh2 s THR 137 Cb 0.12 -4.12 -0.04 0.00 1.34 0.00 0.00 72.50 69.81 2kh2 s THR 137 CO 0.16 -1.05 0.90 -0.75 -0.54 0.00 0.00 174.62 173.34 2kh2 s LYS 138 N -0.54 4.54 -0.07 3.99 2.20 -1.26 -3.47 119.74 125.13 2kh2 s LYS 138 Ca 0.23 1.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.10 2kh2 s LYS 138 Cb -0.12 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 2kh2 s LYS 138 CO -0.08 0.03 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 2kh2 n GLY 139 N 2.85 0.44 0.00 5.54 0.00 -1.26 -5.03 105.19 107.74 2kh2 n GLY 139 Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.91 1.76 0.12 -0.02 0.00 -1.23 -5.00 105.19 97.92 2kh2 n GLY 140 Ca -0.01 -1.60 -0.18 0.00 0.00 0.00 0.00 46.02 44.23 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 0.34 -6.36 1.61 7.50 -1.96 -3.44 115.11 112.79 2kh2 h GLN 141 Ca 0.00 -0.57 -0.54 0.00 0.50 0.00 0.00 58.65 58.04 2kh2 h GLN 141 Cb 0.00 0.21 -0.03 0.00 0.05 0.00 0.00 27.48 27.72 2kh2 h GLN 141 CO 0.00 1.27 0.32 -0.51 -1.50 0.00 0.00 178.83 178.41 2kh2 s ASP 142 N -7.25 7.32 0.06 1.46 1.01 -1.26 -4.44 116.67 113.57 2kh2 s ASP 142 Ca -0.05 1.59 -0.31 0.00 0.71 0.00 0.00 52.55 54.50 2kh2 s ASP 142 Cb 0.06 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.39 2kh2 s ASP 142 CO 0.90 -0.21 1.27 -0.63 0.21 0.00 0.00 175.17 176.71 2kh2 s ILE 143 N 0.83 3.84 -0.10 0.77 1.01 0.27 -4.55 121.20 123.28 2kh2 s ILE 143 Ca 0.49 1.30 0.07 0.00 0.00 0.00 0.00 60.65 62.51 2kh2 s ILE 143 Cb -0.21 -3.84 -0.10 0.00 0.01 0.00 0.00 42.46 38.32 2kh2 s ILE 143 CO 0.26 0.08 0.20 0.35 0.00 0.00 0.00 174.94 175.84 2kh2 n THR 144 N 4.05 0.00 -3.46 2.92 -2.24 -1.26 -1.28 114.28 113.01 2kh2 n THR 144 Ca 0.10 -0.21 -0.35 0.00 -2.27 0.00 0.00 64.05 61.32 2kh2 n THR 144 Cb 0.45 0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 69.13 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 -2.54 6.73 0.24 3.42 -4.77 -1.26 -4.22 116.67 114.28 2kh2 s ASP 145 Ca -0.01 0.94 0.01 0.00 -3.30 0.00 0.00 52.55 50.19 2kh2 s ASP 145 Cb 0.05 -2.24 -0.04 0.00 -1.09 0.00 0.00 42.92 39.60 2kh2 s ASP 145 CO 0.30 0.12 0.12 -0.36 0.70 0.00 0.00 175.17 176.06 2kh2 s PHE 146 N -1.46 1.40 -0.02 2.11 0.08 0.11 -3.52 117.98 116.69 2kh2 s PHE 146 Ca 0.36 -1.30 0.05 0.00 0.12 0.00 0.00 56.93 56.17 2kh2 s PHE 146 Cb -0.14 -0.76 -0.03 0.00 -0.57 0.00 0.00 43.02 41.52 2kh2 s PHE 146 CO 0.19 -0.49 -0.18 0.95 -0.10 0.00 0.00 175.22 175.59 2kh2 s THR 147 N -3.89 2.77 -0.31 0.64 -4.23 0.21 -1.48 115.64 109.35 2kh2 s THR 147 Ca 0.38 -0.93 -0.10 0.00 -1.18 0.00 0.00 61.69 59.87 2kh2 s THR 147 Cb 0.07 -2.08 -0.01 0.00 1.34 0.00 0.00 72.50 71.82 2kh2 s THR 147 CO 0.14 0.52 0.16 -0.32 -0.54 0.00 0.00 174.62 174.59 2kh2 s MET 148 N -0.88 3.41 -0.27 3.99 1.75 -1.26 -2.67 119.30 123.37 2kh2 s MET 148 Ca 0.12 -0.67 -0.01 0.00 -1.25 0.00 0.00 55.69 53.88 2kh2 s MET 148 Cb -0.10 -3.60 0.04 0.00 2.84 0.00 0.00 34.83 34.01 2kh2 s MET 148 CO 0.01 -0.39 -0.05 -0.65 -0.65 0.00 0.00 175.02 173.29 2kh2 s GLN 149 N 1.64 2.58 0.07 4.11 1.11 -0.64 -4.97 119.66 123.56 2kh2 s GLN 149 Ca 0.05 -1.15 -0.31 0.00 0.01 0.00 0.00 55.36 53.96 2kh2 s GLN 149 Cb -0.17 -3.04 -0.07 0.00 -1.01 0.00 0.00 33.01 28.72 2kh2 s GLN 149 CO 0.07 -0.51 1.38 -0.06 0.01 0.00 0.00 175.29 176.17 2kh2 s PHE 150 N 1.26 3.13 0.43 0.91 0.40 -1.26 -0.24 117.98 122.60 2kh2 s PHE 150 Ca -0.03 0.94 0.06 0.00 -0.60 0.00 0.00 56.93 57.30 2kh2 s PHE 150 Cb -0.18 -3.65 -0.05 0.00 0.51 0.00 0.00 43.02 39.64 2kh2 s PHE 150 CO -0.03 -2.31 0.11 0.14 0.70 0.00 0.00 175.22 173.83 2kh2 s VAL 151 N 1.53 2.04 -1.13 -0.44 -7.23 -1.11 -4.92 120.40 109.13 2kh2 s VAL 151 Ca 0.64 -1.83 -0.04 0.00 -1.81 0.00 0.00 61.98 58.93 2kh2 s VAL 151 Cb -0.34 -2.88 0.17 0.00 0.56 0.00 0.00 36.38 33.89 2kh2 s VAL 151 CO 0.29 0.00 2.28 -1.20 -0.31 0.00 0.00 175.10 176.16 2kh2 n SER 152 N -1.16 7.69 0.00 4.85 7.64 -1.26 -4.75 113.62 126.63 2kh2 n SER 152 Ca -0.04 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 56.53 2kh2 n SER 152 Cb 0.66 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83