#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 0.37 -5.80 0.00 0.11 -2.07 -3.45 132.00 121.16 2kh2 h PRO 2 Ca 0.00 -0.31 -0.54 0.00 0.11 0.00 0.00 66.00 65.27 2kh2 h PRO 2 Cb 0.00 0.07 -0.26 0.00 0.11 0.00 0.00 31.00 30.92 2kh2 h PRO 2 CO 0.00 0.95 -0.83 0.54 -0.21 0.00 0.00 178.00 178.46 2kh2 s VAL 3 N -3.57 1.46 0.30 3.15 0.11 -1.26 -5.13 120.40 115.46 2kh2 s VAL 3 Ca -0.05 -1.08 0.10 0.00 -2.93 0.00 0.00 61.98 58.02 2kh2 s VAL 3 Cb 0.10 -1.28 -0.05 0.00 -1.53 0.00 0.00 36.38 33.63 2kh2 s VAL 3 CO 0.84 0.17 -0.05 -0.13 -3.33 0.00 0.00 175.10 172.59 2kh2 s ARG 4 N -1.06 2.03 -0.08 1.54 0.52 -1.26 -5.05 118.95 115.59 2kh2 s ARG 4 Ca 0.06 -1.66 -0.20 0.00 -0.52 0.00 0.00 55.73 53.41 2kh2 s ARG 4 Cb -0.08 -1.95 0.04 0.00 0.52 0.00 0.00 34.95 33.48 2kh2 s ARG 4 CO 0.01 0.26 0.46 0.45 0.02 0.00 0.00 175.30 176.50 2kh2 s SER 5 N -3.65 -0.41 0.34 0.23 0.15 -1.26 -2.01 113.70 107.10 2kh2 s SER 5 Ca 0.32 0.53 0.08 0.00 0.70 0.00 0.00 55.95 57.58 2kh2 s SER 5 Cb -0.03 0.59 -0.07 0.00 -1.71 0.00 0.00 66.02 64.80 2kh2 s SER 5 CO 0.18 -0.40 -0.05 -1.48 1.20 0.00 0.00 173.24 172.70 2kh2 s LEU 6 N -0.78 2.67 -0.11 3.45 0.05 -0.15 -4.97 118.68 118.84 2kh2 s LEU 6 Ca -0.09 -1.26 0.03 0.00 0.05 0.00 0.00 54.13 52.87 2kh2 s LEU 6 Cb -0.03 -0.84 -0.00 0.00 -2.05 0.00 0.00 46.19 43.26 2kh2 s LEU 6 CO 0.05 -0.33 -0.22 0.20 -0.55 0.00 0.00 176.35 175.49 2kh2 s ASN 7 N -3.59 3.22 0.08 1.48 0.01 -1.26 -0.56 114.94 114.32 2kh2 s ASN 7 Ca 0.33 -0.53 -0.07 0.00 -0.71 0.00 0.00 52.86 51.88 2kh2 s ASN 7 Cb 0.05 -1.44 -0.01 0.00 0.41 0.00 0.00 41.25 40.26 2kh2 s ASN 7 CO 0.16 0.16 0.14 0.00 -1.51 0.00 0.00 177.10 176.05 2kh2 s THR 9 N -3.82 3.96 -0.23 0.00 2.01 0.59 -0.54 115.64 117.62 2kh2 s THR 9 Ca 0.05 -0.36 -0.09 0.00 0.31 0.00 0.00 61.69 61.60 2kh2 s THR 9 Cb 0.05 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.83 2kh2 s THR 9 CO -0.11 0.55 0.13 -0.76 -0.69 0.00 0.00 174.62 173.74 2kh2 s LEU 10 N -0.24 3.96 -0.01 4.42 1.43 -1.26 -1.97 118.68 125.00 2kh2 s LEU 10 Ca 0.04 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 2kh2 s LEU 10 Cb -0.13 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 2kh2 s LEU 10 CO 0.02 0.07 -0.13 -0.13 0.23 0.00 0.00 176.35 176.42 2kh2 s ARG 11 N 0.99 1.06 1.07 1.70 1.81 -1.21 -4.01 118.95 120.37 2kh2 s ARG 11 Ca 0.06 -0.46 -0.18 0.00 -1.72 0.00 0.00 55.73 53.44 2kh2 s ARG 11 Cb -0.14 -1.02 0.25 0.00 -0.45 0.00 0.00 34.95 33.59 2kh2 s ARG 11 CO 0.04 0.27 1.26 0.16 -0.68 0.00 0.00 175.30 176.34 2kh2 s ASP 12 N -0.26 2.14 0.00 0.23 -4.77 -1.16 -0.33 116.67 112.52 2kh2 s ASP 12 Ca 0.04 0.33 0.05 0.00 -3.30 0.00 0.00 52.55 49.67 2kh2 s ASP 12 Cb -0.05 -0.39 0.23 0.00 -1.09 0.00 0.00 42.92 41.62 2kh2 s ASP 12 CO -0.00 -3.35 1.06 -1.54 0.70 0.00 0.00 175.17 172.04 2kh2 n SER 13 N -4.19 0.00 -0.66 2.11 3.41 -1.21 -0.60 113.62 112.48 2kh2 n SER 13 Ca 0.15 0.33 0.09 0.00 -0.26 0.00 0.00 58.87 59.19 2kh2 n SER 13 Cb 0.59 -0.37 0.06 0.00 -0.26 0.00 0.00 64.21 64.23 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 -1.37 1.63 -1.93 4.33 1.13 -1.26 -4.95 117.38 114.96 2kh2 n GLN 14 Ca 0.02 -1.42 -0.08 0.00 -1.94 0.00 0.00 57.00 53.58 2kh2 n GLN 14 Cb 0.05 -1.36 -0.01 0.00 0.11 0.00 0.00 30.24 29.02 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 0.74 -0.63 -2.32 -1.09 1.13 0.23 -5.00 117.38 110.43 2kh2 n GLN 15 Ca 0.10 0.49 -0.32 0.00 -1.94 0.00 0.00 57.00 55.33 2kh2 n GLN 15 Cb 0.45 -4.42 -0.02 0.00 0.11 0.00 0.00 30.24 26.36 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 -3.98 3.81 -0.02 -1.09 1.02 -1.26 -4.52 119.74 113.70 2kh2 s LYS 16 Ca 0.00 1.01 0.04 0.00 0.02 0.00 0.00 55.97 57.04 2kh2 s LYS 16 Cb 0.00 -2.11 -0.03 0.00 -0.52 0.00 0.00 37.83 35.17 2kh2 s LYS 16 CO 0.00 -0.39 -0.13 -1.12 -0.92 0.00 0.00 175.35 172.80 2kh2 s SER 17 N -3.00 4.17 -0.08 2.83 0.01 0.15 -3.00 113.70 114.78 2kh2 s SER 17 Ca 0.60 -0.22 -0.28 0.00 1.31 0.00 0.00 55.95 57.36 2kh2 s SER 17 Cb -0.11 -0.88 -0.02 0.00 0.21 0.00 0.00 66.02 65.22 2kh2 s SER 17 CO 0.32 0.31 0.95 -0.76 0.41 0.00 0.00 173.24 174.47 2kh2 s LEU 18 N -1.05 4.28 0.10 2.44 1.43 -1.26 -1.89 118.68 122.72 2kh2 s LEU 18 Ca 0.14 1.48 0.04 0.00 -1.03 0.00 0.00 54.13 54.76 2kh2 s LEU 18 Cb -0.11 -3.47 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 2kh2 s LEU 18 CO 0.03 -0.36 -0.12 0.68 0.23 0.00 0.00 176.35 176.82 2kh2 s VAL 19 N 1.65 1.06 -0.38 -1.59 -7.23 0.72 -1.25 120.40 113.37 2kh2 s VAL 19 Ca 0.47 -1.58 -0.29 0.00 -1.81 0.00 0.00 61.98 58.77 2kh2 s VAL 19 Cb -0.19 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.44 2kh2 s VAL 19 CO 0.20 -0.45 1.45 -0.04 -0.31 0.00 0.00 175.10 175.94 2kh2 s MET 20 N -2.52 3.61 0.00 4.82 -1.94 -1.26 -0.56 119.30 121.45 2kh2 s MET 20 Ca 0.04 1.08 0.30 0.00 -1.71 0.00 0.00 55.69 55.40 2kh2 s MET 20 Cb -0.05 -4.02 1.70 0.00 2.01 0.00 0.00 34.83 34.46 2kh2 s MET 20 CO 0.01 -1.52 2.10 0.45 -0.01 0.00 0.00 175.02 176.05 2kh2 n SER 21 N 8.79 0.00 0.00 3.03 2.88 0.50 -4.90 113.62 123.92 2kh2 n SER 21 Ca 0.17 -0.67 0.00 0.00 -1.33 0.00 0.00 58.87 57.04 2kh2 n SER 21 Cb 0.47 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 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 1.00 -0.56 0.32 0.46 0.00 -1.17 -4.87 105.19 100.37 2kh2 n GLY 22 Ca 0.20 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.46 2kh2 n GLY 22 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kh2 h PRO 23 N 0.00 0.80 0.00 1.61 0.11 -2.03 -3.40 132.00 129.08 2kh2 h PRO 23 Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2kh2 h PRO 23 Cb 0.00 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 30.94 2kh2 h PRO 23 CO 0.00 0.58 0.00 0.66 -0.21 0.00 0.00 178.00 179.03 2kh2 n TYR 24 N -4.40 -0.37 -1.36 0.65 4.02 -1.26 -5.09 117.16 109.36 2kh2 n TYR 24 Ca 0.05 0.06 -0.46 0.00 -0.01 0.00 0.00 57.90 57.55 2kh2 n TYR 24 Cb 0.09 0.09 -0.03 0.00 -0.02 0.00 0.00 39.34 39.47 2kh2 n TYR 24 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2kh2 n GLU 25 N -3.44 0.00 -4.93 -0.72 2.13 -1.26 -4.76 120.64 107.66 2kh2 n GLU 25 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 2kh2 n GLU 25 Cb 0.00 -0.98 -0.15 0.00 0.27 0.00 0.00 31.44 30.58 2kh2 n GLU 25 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2kh2 s LEU 26 N 3.15 2.05 0.11 4.31 1.43 -1.26 -0.37 118.68 128.10 2kh2 s LEU 26 Ca 0.62 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 53.40 2kh2 s LEU 26 Cb -0.87 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2kh2 s LEU 26 CO 0.56 0.23 -0.14 -0.54 0.23 0.00 0.00 176.35 176.69 2kh2 s LYS 27 N -0.54 0.98 -0.19 1.70 1.02 0.28 -2.12 119.74 120.86 2kh2 s LYS 27 Ca 0.08 -1.16 -0.01 0.00 0.02 0.00 0.00 55.97 54.89 2kh2 s LYS 27 Cb -0.08 -0.91 0.01 0.00 -0.52 0.00 0.00 37.83 36.33 2kh2 s LYS 27 CO -0.00 0.18 -0.14 0.00 -0.92 0.00 0.00 175.35 174.47 2kh2 s ALA 28 N -1.87 2.52 0.10 5.17 0.00 0.18 -0.20 121.76 127.67 2kh2 s ALA 28 Ca 0.06 -1.19 -0.06 0.00 0.00 0.00 0.00 51.96 50.77 2kh2 s ALA 28 Cb -0.06 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 2kh2 s ALA 28 CO 0.03 -0.37 0.14 -0.48 0.00 0.00 0.00 175.76 175.09 2kh2 s LEU 29 N 1.34 1.60 -0.06 0.00 0.05 -0.79 -3.36 118.68 117.46 2kh2 s LEU 29 Ca 0.05 -0.86 -0.30 0.00 0.05 0.00 0.00 54.13 53.07 2kh2 s LEU 29 Cb -0.14 0.78 -0.05 0.00 -2.05 0.00 0.00 46.19 44.73 2kh2 s LEU 29 CO -0.09 -0.74 1.52 -1.00 -0.55 0.00 0.00 176.35 175.49 2kh2 s HIS 30 N -3.93 2.38 -0.28 3.48 3.76 -1.26 0.34 115.29 119.78 2kh2 s HIS 30 Ca 0.11 0.51 0.01 0.00 -0.15 0.00 0.00 55.06 55.54 2kh2 s HIS 30 Cb 0.06 -3.78 0.08 0.00 1.11 0.00 0.00 32.58 30.05 2kh2 s HIS 30 CO -0.06 -3.09 0.03 -1.17 -0.85 0.00 0.00 174.74 169.60 2kh2 s LEU 31 N 3.47 2.85 0.00 0.89 2.96 -1.26 -4.90 118.68 122.69 2kh2 s LEU 31 Ca 0.67 -1.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.03 2kh2 s LEU 31 Cb -0.31 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.26 2kh2 s LEU 31 CO 0.26 -0.34 0.00 0.00 -1.32 0.00 0.00 176.35 174.95 2kh2 n GLN 32 N 4.67 3.43 0.00 1.98 6.02 -1.26 -4.61 117.38 127.61 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 4.29 0.87 1.45 1.08 0.00 -1.26 -2.86 105.19 108.76 2kh2 n GLY 33 Ca 0.00 -0.70 0.07 0.00 0.00 0.00 0.00 46.02 45.39 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 3.53 -0.10 1.61 -0.06 -1.26 -3.85 117.38 117.25 2kh2 n GLN 34 Ca 0.00 -2.44 0.08 0.00 -2.00 0.00 0.00 57.00 52.64 2kh2 n GLN 34 Cb 0.00 -1.88 0.13 0.00 -4.06 0.00 0.00 30.24 24.42 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 0.81 2.71 0.17 1.69 9.92 -1.13 -4.51 116.55 126.20 2kh2 n ASP 35 Ca 0.22 -1.79 0.13 0.00 -0.53 0.00 0.00 54.79 52.81 2kh2 n ASP 35 Cb 0.84 -0.14 0.61 0.00 -0.64 0.00 0.00 41.12 41.79 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 2.91 0.00 0.00 -1.24 4.05 -1.63 -2.71 114.93 116.30 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 0.72 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 2kh2 h MET 36 CO 0.00 0.00 0.00 0.39 0.23 0.00 0.00 176.91 177.53 2kh2 n GLU 37 N -2.35 0.83 -0.04 0.39 -0.58 -1.26 -2.76 120.64 114.87 2kh2 n GLU 37 Ca -0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 2kh2 n GLU 37 Cb 0.11 -1.13 0.44 0.00 -0.57 0.00 0.00 31.44 30.29 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 -0.63 1.74 -1.69 3.49 6.02 -1.02 -4.92 117.38 120.36 2kh2 n GLN 38 Ca 0.05 -1.09 -0.32 0.00 -0.01 0.00 0.00 57.00 55.63 2kh2 n GLN 38 Cb 0.02 -1.45 0.05 0.00 1.02 0.00 0.00 30.24 29.88 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 -1.90 2.84 -0.06 -1.09 -2.07 -1.11 -4.83 119.66 111.43 2kh2 s GLN 39 Ca 0.35 1.22 -0.14 0.00 -1.82 0.00 0.00 55.36 54.97 2kh2 s GLN 39 Cb 0.20 -1.97 -0.05 0.00 -1.09 0.00 0.00 33.01 30.10 2kh2 s GLN 39 CO 0.30 -1.20 0.36 0.08 -1.32 0.00 0.00 175.29 173.52 2kh2 s VAL 40 N -2.61 5.16 -0.21 3.63 1.01 -0.38 -5.02 120.40 121.97 2kh2 s VAL 40 Ca 0.63 0.72 -0.10 0.00 0.00 0.00 0.00 61.98 63.23 2kh2 s VAL 40 Cb -0.17 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2kh2 s VAL 40 CO 0.46 0.52 0.13 -0.69 0.00 0.00 0.00 175.10 175.52 2kh2 s VAL 41 N -0.60 5.40 -0.17 2.92 1.01 -1.26 -4.58 120.40 123.12 2kh2 s VAL 41 Ca 0.22 0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.29 2kh2 s VAL 41 Cb -0.15 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2kh2 s VAL 41 CO 0.10 0.43 0.15 -0.36 0.00 0.00 0.00 175.10 175.42 2kh2 s PHE 42 N 0.45 3.49 -0.24 5.22 0.40 0.30 -1.57 117.98 126.04 2kh2 s PHE 42 Ca 0.08 0.43 -0.16 0.00 -0.60 0.00 0.00 56.93 56.68 2kh2 s PHE 42 Cb -0.11 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.28 2kh2 s PHE 42 CO -0.01 0.45 0.41 -1.12 0.70 0.00 0.00 175.22 175.65 2kh2 s SER 43 N -0.15 6.37 -0.27 1.36 0.01 0.85 -1.07 113.70 120.80 2kh2 s SER 43 Ca 0.11 0.43 -0.02 0.00 1.31 0.00 0.00 55.95 57.78 2kh2 s SER 43 Cb -0.12 -2.23 0.03 0.00 0.21 0.00 0.00 66.02 63.91 2kh2 s SER 43 CO 0.01 -0.15 -0.02 -0.04 0.41 0.00 0.00 173.24 173.44 2kh2 s MET 44 N 1.75 2.77 0.10 12.44 -1.94 0.28 -2.61 119.30 132.09 2kh2 s MET 44 Ca 0.18 -1.03 -0.02 0.00 -1.71 0.00 0.00 55.69 53.11 2kh2 s MET 44 Cb -0.15 -3.09 -0.05 0.00 2.01 0.00 0.00 34.83 33.55 2kh2 s MET 44 CO 0.09 -0.46 0.29 -1.12 -0.01 0.00 0.00 175.02 173.80 2kh2 s SER 45 N 1.33 6.42 -0.99 3.03 0.01 -1.25 -0.98 113.70 121.27 2kh2 s SER 45 Ca -0.01 0.41 -0.23 0.00 1.31 0.00 0.00 55.95 57.43 2kh2 s SER 45 Cb -0.17 -2.02 0.04 0.00 0.21 0.00 0.00 66.02 64.07 2kh2 s SER 45 CO -0.03 0.11 1.52 -0.36 0.41 0.00 0.00 173.24 174.89 2kh2 s PHE 46 N -1.58 2.41 0.68 2.43 0.08 -0.85 -3.32 117.98 117.83 2kh2 s PHE 46 Ca 0.38 -0.59 -0.07 0.00 0.12 0.00 0.00 56.93 56.76 2kh2 s PHE 46 Cb -0.13 -4.60 0.04 0.00 -0.57 0.00 0.00 43.02 37.77 2kh2 s PHE 46 CO 0.26 -1.92 1.00 0.14 -0.10 0.00 0.00 175.22 174.60 2kh2 s VAL 47 N 5.75 2.77 -0.42 -0.44 -7.23 -1.26 -4.79 120.40 114.78 2kh2 s VAL 47 Ca 0.49 -0.11 -0.13 0.00 -1.81 0.00 0.00 61.98 60.43 2kh2 s VAL 47 Cb -0.01 -3.18 0.05 0.00 0.56 0.00 0.00 36.38 33.80 2kh2 s VAL 47 CO -0.08 -0.19 0.28 -1.58 -0.31 0.00 0.00 175.10 173.23 2kh2 s GLN 48 N -5.20 2.85 0.00 4.82 2.00 -0.43 -4.90 119.66 118.80 2kh2 s GLN 48 Ca 0.58 -1.21 0.00 0.00 -2.00 0.00 0.00 55.36 52.74 2kh2 s GLN 48 Cb -0.11 -3.90 0.00 0.00 0.80 0.00 0.00 33.01 29.80 2kh2 s GLN 48 CO 0.46 -0.84 0.00 0.41 -0.50 0.00 0.00 175.29 174.82 2kh2 n GLY 49 N 5.07 3.77 3.56 2.59 0.00 -1.26 -4.87 105.19 114.04 2kh2 n GLY 49 Ca -0.11 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 2kh2 n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kh2 s GLU 50 N 1.69 2.71 -0.73 1.61 8.01 -1.26 -4.91 118.70 125.82 2kh2 s GLU 50 Ca 0.00 -0.44 -0.18 0.00 0.01 0.00 0.00 54.97 54.36 2kh2 s GLU 50 Cb 0.00 -5.11 0.14 0.00 -4.31 0.00 0.00 34.13 24.84 2kh2 s GLU 50 CO 0.00 -3.23 0.82 -2.00 0.01 0.00 0.00 175.26 170.86 2kh2 s GLU 51 N 6.70 3.30 0.00 1.61 2.12 -1.26 -4.22 118.70 126.95 2kh2 s GLU 51 Ca 0.67 -1.69 0.00 0.00 0.36 0.00 0.00 54.97 54.31 2kh2 s GLU 51 Cb -0.06 -4.46 0.00 0.00 0.26 0.00 0.00 34.13 29.88 2kh2 s GLU 51 CO -0.02 -1.54 0.00 0.43 -0.54 0.00 0.00 175.26 173.59 2kh2 n SER 52 N 5.85 0.00 0.07 -1.70 7.64 0.54 -5.00 113.62 121.02 2kh2 n SER 52 Ca 0.04 -0.71 0.12 0.00 1.01 0.00 0.00 58.87 59.32 2kh2 n SER 52 Cb 0.45 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.83 2kh2 n SER 52 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2kh2 h ASN 53 N 0.00 0.00 0.00 6.43 -0.73 -2.01 -3.39 115.58 115.88 2kh2 h ASN 53 Ca 0.00 -0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.00 2kh2 h ASN 53 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 2kh2 h ASN 53 CO 0.00 0.09 -0.90 -0.90 -0.37 0.00 0.00 177.43 175.35 2kh2 n ASP 54 N -2.20 3.55 -4.52 1.15 5.75 -1.26 -4.98 116.55 114.04 2kh2 n ASP 54 Ca 0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.38 2kh2 n ASP 54 Cb 0.45 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.49 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 -1.90 3.33 -0.24 0.11 2.20 -1.26 -3.03 119.74 118.95 2kh2 s LYS 55 Ca 0.00 -0.29 -0.03 0.00 -0.36 0.00 0.00 55.97 55.29 2kh2 s LYS 55 Cb 0.00 -3.99 0.01 0.00 -1.51 0.00 0.00 37.83 32.35 2kh2 s LYS 55 CO 0.00 -1.19 -0.04 0.42 -0.36 0.00 0.00 175.35 174.18 2kh2 s ILE 56 N 3.26 3.17 -0.15 5.43 -1.09 0.46 -0.34 121.20 131.94 2kh2 s ILE 56 Ca 0.27 -0.78 -0.29 0.00 -2.23 0.00 0.00 60.65 57.62 2kh2 s ILE 56 Cb -0.13 -2.54 -0.01 0.00 -1.58 0.00 0.00 42.46 38.20 2kh2 s ILE 56 CO 0.20 0.28 0.99 -2.16 -1.23 0.00 0.00 174.94 173.02 2kh2 s PRO 57 N 1.40 4.36 0.15 2.79 0.04 -1.26 -0.49 135.00 142.00 2kh2 s PRO 57 Ca 0.03 1.33 -0.01 0.00 0.04 0.00 0.00 61.00 62.39 2kh2 s PRO 57 Cb -0.16 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 2kh2 s PRO 57 CO -0.04 -0.40 0.08 0.14 0.04 0.00 0.00 177.00 176.82 2kh2 s VAL 58 N 2.34 0.08 0.00 -0.36 -7.23 -0.26 -4.03 120.40 110.94 2kh2 s VAL 58 Ca 0.46 -1.92 -0.02 0.00 -1.81 0.00 0.00 61.98 58.69 2kh2 s VAL 58 Cb -0.17 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 2kh2 s VAL 58 CO 0.14 -0.36 0.15 0.00 -0.31 0.00 0.00 175.10 174.72 2kh2 s ALA 59 N -4.07 3.85 -0.32 1.32 0.00 -1.21 -0.55 121.76 120.77 2kh2 s ALA 59 Ca 0.27 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.46 2kh2 s ALA 59 Cb 0.07 -1.78 0.09 0.00 0.00 0.00 0.00 23.12 21.50 2kh2 s ALA 59 CO 0.04 0.74 0.02 -0.51 0.00 0.00 0.00 175.76 176.05 2kh2 s LEU 60 N -1.94 4.48 0.23 0.00 1.43 -1.25 -3.77 118.68 117.85 2kh2 s LEU 60 Ca 0.27 -2.01 0.05 0.00 -1.03 0.00 0.00 54.13 51.41 2kh2 s LEU 60 Cb -0.12 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 2kh2 s LEU 60 CO 0.18 -0.34 -0.03 -0.83 0.23 0.00 0.00 176.35 175.55 2kh2 s GLY 61 N 0.95 1.57 0.12 -3.19 0.00 -1.07 -0.91 107.32 104.78 2kh2 s GLY 61 Ca 0.07 -1.77 -0.24 0.00 0.00 0.00 0.00 44.72 42.79 2kh2 s GLY 61 CO -0.08 -1.71 0.72 1.08 0.00 0.00 0.00 173.10 173.11 2kh2 s LEU 62 N -3.33 4.55 0.20 0.66 1.02 -0.38 -0.11 118.68 121.30 2kh2 s LEU 62 Ca 0.27 1.50 -0.33 0.00 0.02 0.00 0.00 54.13 55.60 2kh2 s LEU 62 Cb 0.05 -3.17 -0.14 0.00 0.02 0.00 0.00 46.19 42.95 2kh2 s LEU 62 CO 0.08 0.19 1.51 1.17 0.02 0.00 0.00 176.35 179.33 2kh2 n LYS 63 N 1.87 2.13 -2.36 1.70 4.81 -0.61 -1.73 118.16 123.97 2kh2 n LYS 63 Ca -0.06 0.77 -0.12 0.00 -0.87 0.00 0.00 58.31 58.03 2kh2 n LYS 63 Cb 0.49 -2.49 -0.01 0.00 0.02 0.00 0.00 35.03 33.04 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 2.81 -2.20 -4.07 1.64 0.28 -1.26 -4.95 120.64 112.89 2kh2 n GLU 64 Ca 0.14 0.57 -0.13 0.00 -0.16 0.00 0.00 57.16 57.58 2kh2 n GLU 64 Cb 0.30 -5.14 -0.12 0.00 1.43 0.00 0.00 31.44 27.92 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2kh2 s LYS 65 N -4.88 0.54 -0.18 3.44 1.02 -0.70 -5.03 119.74 113.95 2kh2 s LYS 65 Ca 0.00 -0.74 0.06 0.00 0.02 0.00 0.00 55.97 55.31 2kh2 s LYS 65 Cb 0.00 -0.33 0.44 0.00 -0.52 0.00 0.00 37.83 37.42 2kh2 s LYS 65 CO 0.00 0.06 1.32 0.27 -0.92 0.00 0.00 175.35 176.08 2kh2 n ASN 66 N 1.53 3.64 -4.57 2.83 6.94 -1.26 -4.39 115.26 119.98 2kh2 n ASN 66 Ca -0.22 -2.67 -0.39 0.00 -0.02 0.00 0.00 54.58 51.28 2kh2 n ASN 66 Cb 0.55 -0.64 -0.10 0.00 -2.36 0.00 0.00 39.78 37.23 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 -1.69 4.20 0.11 -4.53 1.43 -1.26 -1.86 118.68 115.08 2kh2 s LEU 67 Ca 0.32 -0.11 0.10 0.00 -1.03 0.00 0.00 54.13 53.41 2kh2 s LEU 67 Cb 0.25 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 2kh2 s LEU 67 CO 0.08 -0.14 -0.24 -0.31 0.23 0.00 0.00 176.35 175.97 2kh2 s TYR 68 N 1.81 2.07 -0.12 0.29 1.51 -0.87 -1.25 117.35 120.79 2kh2 s TYR 68 Ca 0.08 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.45 2kh2 s TYR 68 Cb -0.16 -1.14 -0.03 0.00 -0.11 0.00 0.00 41.96 40.52 2kh2 s TYR 68 CO 0.11 0.26 1.35 -0.51 -1.11 0.00 0.00 175.55 175.65 2kh2 s LEU 69 N -1.89 4.23 -0.08 -1.29 1.43 -0.09 -1.00 118.68 119.99 2kh2 s LEU 69 Ca 0.10 1.85 0.02 0.00 -1.03 0.00 0.00 54.13 55.07 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 -0.78 -0.15 -0.55 0.23 0.00 0.00 176.35 175.15 2kh2 s SER 70 N 2.23 3.94 -0.40 2.29 0.15 0.14 -4.44 113.70 117.61 2kh2 s SER 70 Ca 0.59 -0.27 -0.14 0.00 0.70 0.00 0.00 55.95 56.83 2kh2 s SER 70 Cb -0.25 -1.14 0.02 0.00 -1.71 0.00 0.00 66.02 62.94 2kh2 s SER 70 CO 0.19 0.27 0.28 0.00 1.20 0.00 0.00 173.24 175.18 2kh2 s VAL 72 N 1.65 0.55 -0.20 0.00 -7.23 -0.73 -4.71 120.40 109.72 2kh2 s VAL 72 Ca 0.04 -1.96 -0.14 0.00 -1.81 0.00 0.00 61.98 58.12 2kh2 s VAL 72 Cb -0.19 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 2kh2 s VAL 72 CO 0.09 -0.51 0.31 -0.76 -0.31 0.00 0.00 175.10 173.92 2kh2 s LEU 73 N -3.13 4.16 -0.26 1.32 1.43 -1.26 0.12 118.68 121.06 2kh2 s LEU 73 Ca 0.23 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 2kh2 s LEU 73 Cb 0.06 -2.36 0.07 0.00 0.03 0.00 0.00 46.19 43.99 2kh2 s LEU 73 CO 0.03 0.00 -0.01 -0.54 0.23 0.00 0.00 176.35 176.06 2kh2 s LYS 74 N 1.06 1.35 -0.80 1.70 1.02 0.72 -4.78 119.74 120.01 2kh2 s LYS 74 Ca 0.15 -1.07 -0.02 0.00 0.02 0.00 0.00 55.97 55.06 2kh2 s LYS 74 Cb -0.14 -2.52 -0.02 0.00 -0.52 0.00 0.00 37.83 34.63 2kh2 s LYS 74 CO 0.06 -0.71 0.68 -3.47 -0.92 0.00 0.00 175.35 170.98 2kh2 n ASP 75 N 4.68 -3.55 -0.07 2.83 4.64 -1.26 -2.89 116.55 120.94 2kh2 n ASP 75 Ca -0.08 -0.47 -0.01 0.00 -1.38 0.00 0.00 54.79 52.86 2kh2 n ASP 75 Cb 0.44 -3.79 -0.00 0.00 -1.04 0.00 0.00 41.12 36.72 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 -2.60 -5.88 -4.07 1.67 9.92 -1.26 -4.94 116.55 109.38 2kh2 n ASP 76 Ca -0.13 0.02 -0.29 0.00 -0.53 0.00 0.00 54.79 53.86 2kh2 n ASP 76 Cb 0.60 -3.47 -0.17 0.00 -0.64 0.00 0.00 41.12 37.45 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 -2.02 2.31 0.02 -1.24 2.47 -1.14 -5.10 119.74 115.03 2kh2 s LYS 77 Ca 0.00 -0.59 -0.30 0.00 -1.56 0.00 0.00 55.97 53.51 2kh2 s LYS 77 Cb 0.00 -1.94 -0.06 0.00 -1.46 0.00 0.00 37.83 34.36 2kh2 s LYS 77 CO 0.00 -0.05 1.51 -2.14 0.16 0.00 0.00 175.35 174.83 2kh2 s PRO 78 N 0.95 4.24 0.10 4.03 0.02 -1.26 -0.20 135.00 142.88 2kh2 s PRO 78 Ca -0.07 2.11 0.02 0.00 0.02 0.00 0.00 61.00 63.08 2kh2 s PRO 78 Cb -0.15 -3.62 -0.04 0.00 0.02 0.00 0.00 34.50 30.71 2kh2 s PRO 78 CO -0.01 -0.66 -0.07 0.99 -0.33 0.00 0.00 177.00 176.92 2kh2 s THR 79 N 2.64 0.72 0.03 0.99 2.01 0.12 -4.65 115.64 117.50 2kh2 s THR 79 Ca 0.68 -1.89 -0.08 0.00 0.31 0.00 0.00 61.69 60.71 2kh2 s THR 79 Cb -0.34 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.49 2kh2 s THR 79 CO 0.29 -0.83 0.31 -0.22 -0.69 0.00 0.00 174.62 173.47 2kh2 s LEU 80 N -2.96 4.37 0.25 4.42 2.96 -1.26 -1.78 118.68 124.69 2kh2 s LEU 80 Ca 0.11 0.64 -0.13 0.00 -0.22 0.00 0.00 54.13 54.52 2kh2 s LEU 80 Cb 0.04 -2.75 -0.00 0.00 0.50 0.00 0.00 46.19 43.98 2kh2 s LEU 80 CO -0.04 0.23 0.49 0.00 -1.32 0.00 0.00 176.35 175.72 2kh2 s GLN 81 N -1.77 1.58 -0.28 1.98 -2.07 -0.18 -4.88 119.66 114.03 2kh2 s GLN 81 Ca 0.29 -1.26 -0.07 0.00 -1.82 0.00 0.00 55.36 52.49 2kh2 s GLN 81 Cb -0.13 0.48 -0.00 0.00 -1.09 0.00 0.00 33.01 32.26 2kh2 s GLN 81 CO 0.16 -0.66 0.09 -0.51 -1.32 0.00 0.00 175.29 173.05 2kh2 s LEU 82 N -3.02 3.76 -0.21 2.60 2.01 -1.26 0.25 118.68 122.81 2kh2 s LEU 82 Ca 0.22 -0.54 -0.07 0.00 0.01 0.00 0.00 54.13 53.76 2kh2 s LEU 82 Cb -0.01 -1.91 -0.03 0.00 0.01 0.00 0.00 46.19 44.25 2kh2 s LEU 82 CO 0.09 -0.15 0.05 -0.70 1.01 0.00 0.00 176.35 176.66 2kh2 s GLU 83 N 1.55 3.79 -0.72 1.70 2.12 -0.17 -4.90 118.70 122.08 2kh2 s GLU 83 Ca 0.04 -0.43 -0.23 0.00 0.36 0.00 0.00 54.97 54.71 2kh2 s GLU 83 Cb -0.17 -3.22 0.06 0.00 0.26 0.00 0.00 34.13 31.07 2kh2 s GLU 83 CO 0.03 0.07 1.09 -1.12 -0.54 0.00 0.00 175.26 174.79 2kh2 s SER 84 N 0.89 6.23 0.51 -1.70 0.01 -1.26 -2.06 113.70 116.33 2kh2 s SER 84 Ca 0.03 -0.98 0.06 0.00 1.31 0.00 0.00 55.95 56.37 2kh2 s SER 84 Cb -0.14 -2.46 0.04 0.00 0.21 0.00 0.00 66.02 63.67 2kh2 s SER 84 CO 0.02 -1.51 0.71 0.68 0.41 0.00 0.00 173.24 173.55 2kh2 s VAL 85 N 4.41 2.68 -0.23 3.43 -7.23 -0.78 -5.01 120.40 117.67 2kh2 s VAL 85 Ca 0.28 -0.87 -0.34 0.00 -1.81 0.00 0.00 61.98 59.24 2kh2 s VAL 85 Cb -0.13 -2.81 -0.10 0.00 0.56 0.00 0.00 36.38 33.90 2kh2 s VAL 85 CO 0.08 0.00 2.07 -0.67 -0.31 0.00 0.00 175.10 176.27 2kh2 n ASP 86 N -2.15 2.83 0.12 4.85 4.64 -1.26 -4.85 116.55 120.73 2kh2 n ASP 86 Ca 0.10 0.60 0.11 0.00 -1.38 0.00 0.00 54.79 54.22 2kh2 n ASP 86 Cb 0.60 -1.35 0.47 0.00 -1.04 0.00 0.00 41.12 39.80 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 7.63 0.18 -0.00 -0.67 -0.04 -1.26 -2.40 135.00 138.43 2kh2 n PRO 87 Ca 0.32 0.41 0.10 0.00 -0.04 0.00 0.00 63.50 64.28 2kh2 n PRO 87 Cb 0.29 -1.84 -0.13 0.00 -0.04 0.00 0.00 33.50 31.78 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 -2.17 0.21 -0.13 0.54 2.85 -1.26 -4.27 118.16 113.94 2kh2 n LYS 88 Ca 0.02 -0.04 0.05 0.00 -1.05 0.00 0.00 58.31 57.29 2kh2 n LYS 88 Cb 0.22 -1.49 0.11 0.00 -0.65 0.00 0.00 35.03 33.23 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 -1.65 2.61 -4.00 -5.58 3.02 -1.07 -5.00 115.26 103.58 2kh2 n ASN 89 Ca 0.02 -2.44 -0.12 0.00 -0.03 0.00 0.00 54.58 52.01 2kh2 n ASN 89 Cb 0.38 -0.25 -0.12 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.77 0.46 0.66 3.10 1.51 -1.01 -4.53 117.35 115.77 2kh2 s TYR 90 Ca 0.20 -0.40 -0.08 0.00 -1.01 0.00 0.00 57.07 55.78 2kh2 s TYR 90 Cb 0.15 -0.29 0.15 0.00 -0.11 0.00 0.00 41.96 41.86 2kh2 s TYR 90 CO 0.06 -0.09 0.90 -0.35 -1.11 0.00 0.00 175.55 174.96 2kh2 n PRO 91 N 1.89 -0.62 -3.94 -1.71 -0.04 -1.26 -4.85 135.00 124.47 2kh2 n PRO 91 Ca -0.21 -1.68 -0.09 0.00 -0.04 0.00 0.00 63.50 61.48 2kh2 n PRO 91 Cb 0.56 -0.84 -0.08 0.00 -0.04 0.00 0.00 33.50 33.10 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 -4.90 0.97 0.14 0.54 -2.85 -1.26 -5.06 119.74 107.32 2kh2 s LYS 92 Ca 0.54 -1.11 -0.12 0.00 -1.00 0.00 0.00 55.97 54.28 2kh2 s LYS 92 Cb -0.02 0.34 -0.03 0.00 -2.06 0.00 0.00 37.83 36.06 2kh2 s LYS 92 CO 0.37 -0.33 1.50 -0.22 0.10 0.00 0.00 175.35 176.78 2kh2 h LYS 93 N 2.69 0.89 -3.70 1.78 3.64 -1.98 -3.36 116.57 116.53 2kh2 h LYS 93 Ca -0.33 -0.41 -0.76 0.00 -1.27 0.00 0.00 60.65 57.88 2kh2 h LYS 93 Cb 1.21 -0.02 -0.30 0.00 -0.41 0.00 0.00 32.23 32.72 2kh2 h LYS 93 CO 0.54 1.06 -0.05 0.21 -2.27 0.00 0.00 179.45 178.94 2kh2 s LYS 94 N -4.58 3.28 0.74 1.90 2.47 -1.26 -1.32 119.74 120.98 2kh2 s LYS 94 Ca -0.12 -2.57 -0.07 0.00 -1.56 0.00 0.00 55.97 51.66 2kh2 s LYS 94 Cb 0.11 -4.18 0.09 0.00 -1.46 0.00 0.00 37.83 32.39 2kh2 s LYS 94 CO 0.86 -1.25 1.06 -1.64 0.16 0.00 0.00 175.35 174.53 2kh2 s MET 95 N -0.06 1.87 0.64 4.03 -1.94 -1.26 -5.05 119.30 117.53 2kh2 s MET 95 Ca 0.19 -0.43 -0.16 0.00 -1.71 0.00 0.00 55.69 53.58 2kh2 s MET 95 Cb -0.13 -2.15 -0.01 0.00 2.01 0.00 0.00 34.83 34.55 2kh2 s MET 95 CO -0.07 -1.45 1.11 -1.21 -0.01 0.00 0.00 175.02 173.39 2kh2 s GLU 96 N -5.32 2.88 0.57 2.03 8.01 -1.26 -4.88 118.70 120.73 2kh2 s GLU 96 Ca 0.63 1.42 0.38 0.00 0.01 0.00 0.00 54.97 57.42 2kh2 s GLU 96 Cb -0.09 -1.96 2.00 0.00 -4.31 0.00 0.00 34.13 29.78 2kh2 s GLU 96 CO 0.46 -1.19 2.16 -0.22 0.01 0.00 0.00 175.26 176.48 2kh2 h LYS 97 N 0.21 0.00 -0.01 1.61 1.63 -1.97 0.56 116.57 118.60 2kh2 h LYS 97 Ca -0.47 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 2kh2 h LYS 97 Cb 1.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 2kh2 h LYS 97 CO 0.54 0.00 -0.12 2.89 -3.45 0.00 0.00 179.45 179.31 2kh2 n ARG 98 N -2.88 1.28 0.00 1.90 1.85 -1.26 -3.70 116.66 113.84 2kh2 n ARG 98 Ca -0.02 -0.76 0.01 0.00 -1.00 0.00 0.00 57.85 56.09 2kh2 n ARG 98 Cb 0.10 -1.48 0.01 0.00 -1.05 0.00 0.00 32.46 30.03 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 -0.20 0.00 -3.85 2.89 3.72 0.16 -1.07 117.46 119.11 2kh2 n PHE 99 Ca 0.16 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.20 2kh2 n PHE 99 Cb 0.36 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.80 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 -0.43 4.95 0.14 -4.37 1.01 -1.04 -3.96 120.40 116.70 2kh2 s VAL 100 Ca 0.03 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.11 2kh2 s VAL 100 Cb 0.02 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 2kh2 s VAL 100 CO 0.05 0.41 -0.06 -0.36 0.00 0.00 0.00 175.10 175.14 2kh2 s PHE 101 N 0.72 2.78 -0.53 5.22 0.40 0.29 -3.91 117.98 122.95 2kh2 s PHE 101 Ca 0.05 -0.15 -0.10 0.00 -0.60 0.00 0.00 56.93 56.13 2kh2 s PHE 101 Cb -0.13 -1.40 0.13 0.00 0.51 0.00 0.00 43.02 42.14 2kh2 s PHE 101 CO 0.02 0.48 0.42 -0.80 0.70 0.00 0.00 175.22 176.03 2kh2 s ASN 102 N -2.58 5.86 -0.49 1.36 0.02 0.18 -1.11 114.94 118.18 2kh2 s ASN 102 Ca 0.25 -2.03 -0.26 0.00 -1.02 0.00 0.00 52.86 49.80 2kh2 s ASN 102 Cb -0.10 -2.06 0.03 0.00 0.02 0.00 0.00 41.25 39.14 2kh2 s ASN 102 CO 0.16 -0.69 0.97 -0.75 0.02 0.00 0.00 177.10 176.81 2kh2 s LYS 103 N 1.20 3.52 0.26 -0.60 2.20 0.36 -0.43 119.74 126.25 2kh2 s LYS 103 Ca 0.07 0.14 0.05 0.00 -0.36 0.00 0.00 55.97 55.87 2kh2 s LYS 103 Cb -0.25 -3.95 -0.03 0.00 -1.51 0.00 0.00 37.83 32.09 2kh2 s LYS 103 CO -0.01 -1.33 0.39 0.42 -0.36 0.00 0.00 175.35 174.47 2kh2 s ILE 104 N 3.97 5.03 -0.41 5.43 1.01 0.10 -0.41 121.20 135.92 2kh2 s ILE 104 Ca 0.38 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 60.09 2kh2 s ILE 104 Cb -0.10 -3.78 0.15 0.00 0.01 0.00 0.00 42.46 38.74 2kh2 s ILE 104 CO 0.26 -0.31 0.27 -1.83 0.00 0.00 0.00 174.94 173.33 2kh2 s GLU 105 N -4.04 0.96 0.00 2.79 -1.05 -1.17 -1.31 118.70 114.90 2kh2 s GLU 105 Ca 0.36 -1.85 -0.08 0.00 -0.15 0.00 0.00 54.97 53.25 2kh2 s GLU 105 Cb -0.09 -1.74 -0.04 0.00 -0.44 0.00 0.00 34.13 31.81 2kh2 s GLU 105 CO 0.30 -1.25 0.84 -0.84 0.95 0.00 0.00 175.26 175.26 2kh2 h ILE 106 N 4.94 0.00 0.00 1.83 3.07 -1.93 -3.48 117.51 121.94 2kh2 h ILE 106 Ca 0.10 -0.08 0.00 0.00 1.55 0.00 0.00 64.86 66.43 2kh2 h ILE 106 Cb 0.93 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.48 2kh2 h ILE 106 CO 0.38 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.02 2kh2 n ASN 107 N -3.01 0.00 -0.54 2.16 0.23 -1.26 -4.97 115.26 107.88 2kh2 n ASN 107 Ca -0.04 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.07 2kh2 n ASN 107 Cb 0.11 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 37.92 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 2.46 -4.47 0.53 4.05 -1.26 -4.97 115.26 111.60 2kh2 n ASN 108 Ca 0.00 -1.76 -0.29 0.00 0.45 0.00 0.00 54.58 52.98 2kh2 n ASN 108 Cb 0.00 -0.13 -0.12 0.00 1.23 0.00 0.00 39.78 40.77 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2kh2 s LYS 109 N -0.95 1.71 -0.11 1.20 -0.14 -1.26 -4.99 119.74 115.19 2kh2 s LYS 109 Ca 0.18 -1.22 -0.03 0.00 -1.36 0.00 0.00 55.97 53.53 2kh2 s LYS 109 Cb 0.10 -2.07 -0.03 0.00 -1.68 0.00 0.00 37.83 34.15 2kh2 s LYS 109 CO 0.14 0.47 0.02 -0.51 -0.76 0.00 0.00 175.35 174.71 2kh2 s LEU 110 N -2.16 3.63 0.09 3.17 1.43 -0.77 -3.79 118.68 120.28 2kh2 s LEU 110 Ca 0.17 0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.46 2kh2 s LEU 110 Cb -0.10 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 2kh2 s LEU 110 CO 0.09 0.32 -0.11 -1.83 0.23 0.00 0.00 176.35 175.05 2kh2 s GLU 111 N -0.50 2.13 -0.37 1.70 -1.05 -0.43 -0.10 118.70 120.07 2kh2 s GLU 111 Ca 0.09 -1.01 0.03 0.00 -0.15 0.00 0.00 54.97 53.93 2kh2 s GLU 111 Cb -0.12 -2.30 0.11 0.00 -0.44 0.00 0.00 34.13 31.38 2kh2 s GLU 111 CO 0.02 0.51 0.10 -0.06 0.95 0.00 0.00 175.26 176.78 2kh2 s PHE 112 N -1.17 3.67 0.50 4.83 0.40 -1.26 -0.72 117.98 124.22 2kh2 s PHE 112 Ca 0.20 -2.98 -0.04 0.00 -0.60 0.00 0.00 56.93 53.51 2kh2 s PHE 112 Cb -0.11 -2.94 -0.01 0.00 0.51 0.00 0.00 43.02 40.46 2kh2 s PHE 112 CO 0.12 -0.92 0.78 -2.00 0.70 0.00 0.00 175.22 173.90 2kh2 s GLU 113 N 0.74 3.22 0.00 0.44 2.12 0.43 -1.29 118.70 124.36 2kh2 s GLU 113 Ca 0.12 -0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.38 2kh2 s GLU 113 Cb -0.20 -2.40 0.00 0.00 0.26 0.00 0.00 34.13 31.78 2kh2 s GLU 113 CO -0.07 -0.36 0.00 0.45 -0.54 0.00 0.00 175.26 174.75 2kh2 n SER 114 N -2.29 0.00 0.00 -1.70 2.88 0.54 0.49 113.62 113.53 2kh2 n SER 114 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2kh2 n SER 114 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2kh2 n SER 114 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kh2 n ALA 115 N -3.00 1.91 0.19 -1.46 0.00 -1.25 -3.28 120.51 113.62 2kh2 n ALA 115 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2kh2 n ALA 115 Cb 0.00 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.82 2kh2 n ALA 115 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2kh2 h GLN 116 N 0.00 0.01 -4.02 0.00 5.75 -1.84 -3.37 115.11 111.64 2kh2 h GLN 116 Ca 0.00 -0.00 -0.63 0.00 -0.15 0.00 0.00 58.65 57.87 2kh2 h GLN 116 Cb 0.00 -0.00 -0.40 0.00 1.07 0.00 0.00 27.48 28.15 2kh2 h GLN 116 CO 0.00 0.36 -0.72 -0.06 -2.65 0.00 0.00 178.83 175.75 2kh2 s PHE 117 N -4.25 2.90 0.40 3.99 0.08 -1.26 -5.11 117.98 114.73 2kh2 s PHE 117 Ca -0.03 -2.59 -0.26 0.00 0.12 0.00 0.00 56.93 54.17 2kh2 s PHE 117 Cb 0.15 -2.45 -0.09 0.00 -0.57 0.00 0.00 43.02 40.06 2kh2 s PHE 117 CO 0.72 -0.89 1.28 -2.14 -0.10 0.00 0.00 175.22 174.10 2kh2 s PRO 118 N 0.92 3.98 0.00 0.24 0.02 -1.26 -2.85 135.00 136.05 2kh2 s PRO 118 Ca 0.12 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.25 2kh2 s PRO 118 Cb -0.20 -2.75 0.00 0.00 0.02 0.00 0.00 34.50 31.57 2kh2 s PRO 118 CO -0.11 -0.47 0.00 -1.71 -0.33 0.00 0.00 177.00 174.38 2kh2 n ASN 119 N 0.13 -2.66 -4.40 2.53 2.85 -1.26 -5.00 115.26 107.45 2kh2 n ASN 119 Ca 0.04 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.15 2kh2 n ASN 119 Cb 0.44 -0.85 -0.13 0.00 1.24 0.00 0.00 39.78 40.47 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 -2.24 3.02 0.24 1.20 0.52 -1.13 -4.43 118.94 116.13 2kh2 s TRP 120 Ca 0.00 -0.61 0.11 0.00 0.02 0.00 0.00 56.10 55.62 2kh2 s TRP 120 Cb 0.00 -2.14 -0.05 0.00 -1.15 0.00 0.00 33.47 30.14 2kh2 s TRP 120 CO 0.00 -0.38 -0.18 0.71 0.02 0.00 0.00 176.95 177.11 2kh2 s TYR 121 N 1.35 2.37 -0.17 -1.98 1.51 0.13 -0.34 117.35 120.22 2kh2 s TYR 121 Ca 0.04 -0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 55.50 2kh2 s TYR 121 Cb -0.15 -1.09 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 2kh2 s TYR 121 CO 0.01 0.62 1.77 0.42 -1.11 0.00 0.00 175.55 177.25 2kh2 s ILE 122 N -2.13 3.48 0.21 2.71 1.01 -0.41 -0.94 121.20 125.12 2kh2 s ILE 122 Ca 0.27 0.54 0.09 0.00 0.00 0.00 0.00 60.65 61.55 2kh2 s ILE 122 Cb -0.06 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 2kh2 s ILE 122 CO 0.14 -0.19 -0.07 -0.44 0.00 0.00 0.00 174.94 174.38 2kh2 s SER 123 N 4.87 4.33 0.02 3.58 0.01 0.11 -4.42 113.70 122.20 2kh2 s SER 123 Ca 0.79 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.44 2kh2 s SER 123 Cb -0.29 -0.75 -0.02 0.00 0.21 0.00 0.00 66.02 65.17 2kh2 s SER 123 CO 0.32 0.07 -0.04 -0.89 0.41 0.00 0.00 173.24 173.11 2kh2 s THR 124 N -1.93 0.16 0.48 1.44 2.01 -0.86 -1.66 115.64 115.28 2kh2 s THR 124 Ca 0.27 -0.94 -0.11 0.00 0.31 0.00 0.00 61.69 61.22 2kh2 s THR 124 Cb -0.08 -0.31 -0.06 0.00 0.01 0.00 0.00 72.50 72.06 2kh2 s THR 124 CO 0.17 -0.49 0.87 -0.44 -0.69 0.00 0.00 174.62 174.04 2kh2 s SER 125 N -1.48 6.46 0.39 3.53 0.01 -1.26 -1.22 113.70 120.12 2kh2 s SER 125 Ca -0.15 1.26 0.15 0.00 1.31 0.00 0.00 55.95 58.52 2kh2 s SER 125 Cb -0.10 -2.38 0.80 0.00 0.21 0.00 0.00 66.02 64.55 2kh2 s SER 125 CO -0.01 -0.55 1.85 1.56 0.41 0.00 0.00 173.24 176.50 2kh2 h GLN 126 N 0.75 0.00 -7.05 12.44 1.08 -1.90 -3.44 115.11 116.98 2kh2 h GLN 126 Ca -0.46 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.20 2kh2 h GLN 126 Cb 1.19 0.00 0.11 0.00 -0.05 0.00 0.00 27.48 28.73 2kh2 h GLN 126 CO 0.63 0.34 0.53 0.00 -0.95 0.00 0.00 178.83 179.37 2kh2 s ALA 127 N -4.15 2.77 0.40 3.87 0.00 -1.26 -4.99 121.76 118.38 2kh2 s ALA 127 Ca -0.03 1.11 -0.23 0.00 0.00 0.00 0.00 51.96 52.82 2kh2 s ALA 127 Cb 0.14 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 2kh2 s ALA 127 CO 0.71 -1.10 0.99 -2.00 0.00 0.00 0.00 175.76 174.35 2kh2 s GLU 128 N -2.99 4.27 -0.88 0.00 2.56 -1.26 -3.81 118.70 116.59 2kh2 s GLU 128 Ca 0.71 1.32 0.00 0.00 0.00 0.00 0.00 54.97 57.00 2kh2 s GLU 128 Cb -0.34 -2.46 0.00 0.00 2.00 0.00 0.00 34.13 33.33 2kh2 s GLU 128 CO 0.39 -0.01 0.00 -1.71 -0.56 0.00 0.00 175.26 173.37 2kh2 n ASN 129 N -0.15 -3.44 -4.89 -1.70 5.15 -1.21 -5.02 115.26 103.99 2kh2 n ASN 129 Ca 0.05 0.02 -0.35 0.00 -0.60 0.00 0.00 54.58 53.70 2kh2 n ASN 129 Cb 0.51 -2.62 -0.05 0.00 -0.53 0.00 0.00 39.78 37.09 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 -4.34 3.52 0.89 1.20 -1.94 -1.22 -4.88 119.30 112.55 2kh2 s MET 130 Ca 0.00 -0.14 -0.12 0.00 -1.71 0.00 0.00 55.69 53.72 2kh2 s MET 130 Cb 0.00 -3.10 0.13 0.00 2.01 0.00 0.00 34.83 33.86 2kh2 s MET 130 CO 0.00 0.68 1.13 -2.14 -0.01 0.00 0.00 175.02 174.68 2kh2 s PRO 131 N -1.68 1.28 -0.08 2.03 0.02 -1.26 -0.64 135.00 134.67 2kh2 s PRO 131 Ca 0.25 0.36 -0.13 0.00 0.02 0.00 0.00 61.00 61.50 2kh2 s PRO 131 Cb -0.13 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 2kh2 s PRO 131 CO 0.15 -2.12 0.31 0.08 -0.33 0.00 0.00 177.00 175.10 2kh2 s VAL 132 N -3.25 5.23 0.28 3.83 1.01 -0.90 -4.50 120.40 122.10 2kh2 s VAL 132 Ca 0.63 0.61 -0.00 0.00 0.00 0.00 0.00 61.98 63.22 2kh2 s VAL 132 Cb -0.15 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2kh2 s VAL 132 CO 0.54 0.53 0.30 0.72 0.00 0.00 0.00 175.10 177.18 2kh2 s PHE 133 N -0.56 1.24 -0.20 5.22 -0.71 -0.66 -4.85 117.98 117.46 2kh2 s PHE 133 Ca 0.20 -1.38 -0.12 0.00 -1.04 0.00 0.00 56.93 54.59 2kh2 s PHE 133 Cb -0.14 -0.41 -0.05 0.00 -1.21 0.00 0.00 43.02 41.20 2kh2 s PHE 133 CO 0.08 -0.87 0.22 -1.17 -1.34 0.00 0.00 175.22 172.14 2kh2 s LEU 134 N -3.23 4.19 0.16 -1.99 2.96 -1.26 0.06 118.68 119.56 2kh2 s LEU 134 Ca 0.36 0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 2kh2 s LEU 134 Cb 0.03 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 2kh2 s LEU 134 CO 0.19 0.09 0.02 -0.83 -1.32 0.00 0.00 176.35 174.50 2kh2 s GLY 135 N 0.67 1.13 -0.15 7.98 0.00 -0.12 -4.85 107.32 111.99 2kh2 s GLY 135 Ca 0.12 -1.55 0.15 0.00 0.00 0.00 0.00 44.72 43.44 2kh2 s GLY 135 CO 0.03 -1.47 1.17 0.61 0.00 0.00 0.00 173.10 173.44 2kh2 n GLY 136 N -0.19 4.49 2.78 0.20 0.00 -1.26 0.20 105.19 111.42 2kh2 n GLY 136 Ca -0.06 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.11 4.58 -2.10 2.61 -1.04 -1.26 -4.94 114.28 111.02 2kh2 n THR 137 Ca 0.16 -5.75 -0.42 0.00 -2.04 0.00 0.00 64.05 55.99 2kh2 n THR 137 Cb 0.69 -1.89 -0.03 0.00 -1.82 0.00 0.00 70.33 67.29 2kh2 n THR 137 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kh2 s LYS 138 N -3.15 4.20 0.00 -2.82 2.20 -1.26 -1.85 119.74 117.07 2kh2 s LYS 138 Ca 0.37 2.08 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 2kh2 s LYS 138 Cb 0.13 -3.86 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 2kh2 s LYS 138 CO 0.00 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.62 2kh2 n GLY 139 N 3.97 0.54 0.00 5.54 0.00 -1.26 -5.03 105.19 108.94 2kh2 n GLY 139 Ca 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.85 1.97 2.58 -0.02 0.00 -0.77 -4.95 105.19 101.15 2kh2 n GLY 140 Ca 0.00 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 2kh2 n GLY 140 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kh2 n GLN 141 N 0.00 3.46 -0.49 1.61 3.00 -1.26 -4.76 117.38 118.95 2kh2 n GLN 141 Ca 0.00 -2.72 0.00 0.00 -0.01 0.00 0.00 57.00 54.27 2kh2 n GLN 141 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 30.24 27.25 2kh2 n GLN 141 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2kh2 n ASP 142 N 4.39 0.00 -3.84 1.08 8.00 -1.26 -4.85 116.55 120.07 2kh2 n ASP 142 Ca 0.60 -0.42 -0.29 0.00 0.71 0.00 0.00 54.79 55.39 2kh2 n ASP 142 Cb 0.32 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.26 2kh2 n ASP 142 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2kh2 s ILE 143 N -2.85 1.01 -0.29 0.53 1.01 -0.36 -4.89 121.20 115.37 2kh2 s ILE 143 Ca 0.00 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.88 2kh2 s ILE 143 Cb 0.00 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 2kh2 s ILE 143 CO 0.00 -0.10 0.29 0.35 0.00 0.00 0.00 174.94 175.48 2kh2 n THR 144 N 4.87 0.00 -4.41 2.92 -2.24 -1.26 -2.03 114.28 112.13 2kh2 n THR 144 Ca -0.11 -0.42 -0.35 0.00 -2.27 0.00 0.00 64.05 60.90 2kh2 n THR 144 Cb 0.46 1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 69.62 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 -1.17 5.13 0.42 3.42 -4.77 -1.26 -4.16 116.67 114.29 2kh2 s ASP 145 Ca 0.03 0.11 0.04 0.00 -3.30 0.00 0.00 52.55 49.42 2kh2 s ASP 145 Cb 0.03 -1.45 -0.01 0.00 -1.09 0.00 0.00 42.92 40.40 2kh2 s ASP 145 CO 0.15 0.36 0.13 0.49 0.70 0.00 0.00 175.17 177.00 2kh2 n PHE 146 N 2.24 0.24 -4.34 2.11 3.72 0.86 -3.33 117.46 118.96 2kh2 n PHE 146 Ca -0.18 -2.63 -0.23 0.00 -0.05 0.00 0.00 57.45 54.36 2kh2 n PHE 146 Cb 0.53 -0.04 -0.11 0.00 -0.94 0.00 0.00 39.48 38.92 2kh2 n PHE 146 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2kh2 s THR 147 N -3.07 1.88 -0.24 4.37 -4.23 0.56 -1.84 115.64 113.06 2kh2 s THR 147 Ca 0.19 -1.88 -0.01 0.00 -1.18 0.00 0.00 61.69 58.81 2kh2 s THR 147 Cb 0.01 -1.84 0.03 0.00 1.34 0.00 0.00 72.50 72.04 2kh2 s THR 147 CO 0.13 -0.25 -0.08 -0.32 -0.54 0.00 0.00 174.62 173.57 2kh2 s MET 148 N -2.65 2.80 -0.24 3.99 1.75 -1.26 -3.32 119.30 120.38 2kh2 s MET 148 Ca 0.15 -0.99 0.01 0.00 -1.25 0.00 0.00 55.69 53.61 2kh2 s MET 148 Cb -0.07 -2.94 0.04 0.00 2.84 0.00 0.00 34.83 34.70 2kh2 s MET 148 CO 0.07 -0.40 -0.11 -0.65 -0.65 0.00 0.00 175.02 173.28 2kh2 s GLN 149 N 1.31 2.61 -0.03 4.11 1.11 -0.83 -4.95 119.66 122.99 2kh2 s GLN 149 Ca -0.00 -1.11 -0.30 0.00 0.01 0.00 0.00 55.36 53.96 2kh2 s GLN 149 Cb -0.17 -2.86 -0.03 0.00 -1.01 0.00 0.00 33.01 28.94 2kh2 s GLN 149 CO -0.05 -0.44 1.06 -0.06 0.01 0.00 0.00 175.29 175.81 2kh2 s PHE 150 N 1.22 3.51 0.05 0.91 0.08 -1.26 -0.30 117.98 122.20 2kh2 s PHE 150 Ca -0.03 1.54 0.00 0.00 0.12 0.00 0.00 56.93 58.56 2kh2 s PHE 150 Cb -0.17 -3.23 -0.00 0.00 -0.57 0.00 0.00 43.02 39.04 2kh2 s PHE 150 CO -0.06 -0.47 0.01 1.33 -0.10 0.00 0.00 175.22 175.93 2kh2 n VAL 151 N 4.19 0.00 -3.12 -0.44 0.24 -1.25 -4.98 118.33 112.98 2kh2 n VAL 151 Ca 0.08 -0.26 -0.40 0.00 -2.04 0.00 0.00 64.34 61.72 2kh2 n VAL 151 Cb 0.49 0.07 -0.06 0.00 -1.47 0.00 0.00 33.84 32.88 2kh2 n VAL 151 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2kh2 s SER 152 N -1.28 6.74 0.00 -1.34 0.01 -1.26 -4.89 113.70 111.67 2kh2 s SER 152 Ca 0.01 0.90 0.07 0.00 1.31 0.00 0.00 55.95 58.23 2kh2 s SER 152 Cb 0.00 -2.36 0.39 0.00 0.21 0.00 0.00 66.02 64.27 2kh2 s SER 152 CO 0.01 -0.23 0.86 -1.20 0.41 0.00 0.00 173.24 173.09