#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 0.09 -4.97 0.00 0.13 -2.05 -3.42 132.00 121.78 2kh2 h PRO 2 Ca 0.00 -0.06 -0.64 0.00 -0.87 0.00 0.00 66.00 64.43 2kh2 h PRO 2 Cb 0.00 0.01 -0.35 0.00 0.13 0.00 0.00 31.00 30.80 2kh2 h PRO 2 CO 0.00 0.70 -0.85 0.54 -0.23 0.00 0.00 178.00 178.16 2kh2 s VAL 3 N -3.60 1.81 0.13 1.56 0.11 -1.26 -4.99 120.40 114.16 2kh2 s VAL 3 Ca -0.02 -0.82 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 2kh2 s VAL 3 Cb 0.12 -1.63 -0.04 0.00 -1.53 0.00 0.00 36.38 33.30 2kh2 s VAL 3 CO 0.78 0.50 0.30 -0.13 -3.33 0.00 0.00 175.10 173.22 2kh2 s ARG 4 N 1.01 3.48 -0.11 1.54 0.52 -1.26 -4.99 118.95 119.14 2kh2 s ARG 4 Ca -0.04 -0.42 -0.19 0.00 -0.52 0.00 0.00 55.73 54.55 2kh2 s ARG 4 Cb -0.15 -2.94 0.05 0.00 0.52 0.00 0.00 34.95 32.43 2kh2 s ARG 4 CO -0.04 0.51 0.49 -1.12 0.02 0.00 0.00 175.30 175.16 2kh2 s SER 5 N -2.89 -0.46 0.35 0.23 0.01 -1.26 -1.39 113.70 108.28 2kh2 s SER 5 Ca 0.36 0.71 0.04 0.00 1.31 0.00 0.00 55.95 58.37 2kh2 s SER 5 Cb -0.12 0.74 -0.06 0.00 0.21 0.00 0.00 66.02 66.79 2kh2 s SER 5 CO 0.28 -0.33 0.06 -1.48 0.41 0.00 0.00 173.24 172.17 2kh2 s LEU 6 N -0.44 2.24 -0.13 2.44 0.05 -0.60 -4.93 118.68 117.30 2kh2 s LEU 6 Ca -0.06 -1.41 0.01 0.00 0.05 0.00 0.00 54.13 52.73 2kh2 s LEU 6 Cb -0.03 -0.42 -0.00 0.00 -2.05 0.00 0.00 46.19 43.68 2kh2 s LEU 6 CO 0.03 -0.62 -0.18 0.20 -0.55 0.00 0.00 176.35 175.23 2kh2 s ASN 7 N -3.53 3.52 0.12 1.48 0.01 -1.26 0.08 114.94 115.35 2kh2 s ASN 7 Ca 0.35 -0.48 -0.09 0.00 -0.71 0.00 0.00 52.86 51.93 2kh2 s ASN 7 Cb 0.08 -1.52 -0.00 0.00 0.41 0.00 0.00 41.25 40.22 2kh2 s ASN 7 CO 0.15 0.13 0.24 0.00 -1.51 0.00 0.00 177.10 176.11 2kh2 s THR 9 N -3.90 3.08 -0.02 0.00 -4.23 0.39 -0.39 115.64 110.58 2kh2 s THR 9 Ca 0.09 -1.70 0.03 0.00 -1.18 0.00 0.00 61.69 58.94 2kh2 s THR 9 Cb 0.04 -2.98 -0.00 0.00 1.34 0.00 0.00 72.50 70.89 2kh2 s THR 9 CO -0.07 -0.19 -0.11 -0.76 -0.54 0.00 0.00 174.62 172.95 2kh2 s LEU 10 N -3.84 1.95 0.01 4.79 1.43 -1.26 -2.02 118.68 119.74 2kh2 s LEU 10 Ca 0.37 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 2kh2 s LEU 10 Cb -0.03 -0.58 -0.01 0.00 0.03 0.00 0.00 46.19 45.60 2kh2 s LEU 10 CO 0.23 0.12 -0.03 -0.13 0.23 0.00 0.00 176.35 176.76 2kh2 s ARG 11 N -0.11 0.25 0.81 1.70 0.52 -0.99 -3.08 118.95 118.06 2kh2 s ARG 11 Ca 0.02 -0.31 -0.05 0.00 -0.52 0.00 0.00 55.73 54.87 2kh2 s ARG 11 Cb -0.06 -0.10 0.17 0.00 0.52 0.00 0.00 34.95 35.48 2kh2 s ARG 11 CO -0.00 0.02 1.11 0.16 0.02 0.00 0.00 175.30 176.61 2kh2 s ASP 12 N -0.65 3.83 0.00 0.23 1.47 -0.15 -0.19 116.67 121.22 2kh2 s ASP 12 Ca -0.05 -0.32 0.12 0.00 1.18 0.00 0.00 52.55 53.47 2kh2 s ASP 12 Cb -0.05 0.13 0.55 0.00 -0.34 0.00 0.00 42.92 43.22 2kh2 s ASP 12 CO -0.00 -2.23 1.35 -1.20 0.68 0.00 0.00 175.17 173.76 2kh2 n SER 13 N -3.15 0.00 -1.32 2.11 7.64 -1.25 -1.60 113.62 116.05 2kh2 n SER 13 Ca 0.17 0.34 0.11 0.00 1.01 0.00 0.00 58.87 60.50 2kh2 n SER 13 Cb 0.60 -0.41 0.32 0.00 -1.01 0.00 0.00 64.21 63.71 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 -1.41 2.65 -1.89 1.43 1.13 -1.26 -4.91 117.38 113.13 2kh2 n GLN 14 Ca 0.04 -2.57 -0.13 0.00 -1.94 0.00 0.00 57.00 52.39 2kh2 n GLN 14 Cb 0.12 -1.55 -0.03 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 1.59 -1.01 -3.56 -1.09 1.13 -0.63 -4.84 117.38 108.98 2kh2 n GLN 15 Ca 0.24 0.79 -0.36 0.00 -1.94 0.00 0.00 57.00 55.72 2kh2 n GLN 15 Cb 0.60 -4.95 -0.07 0.00 0.11 0.00 0.00 30.24 25.93 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 -4.02 4.19 0.14 -1.09 1.02 -1.26 -2.88 119.74 115.85 2kh2 s LYS 16 Ca 0.00 0.10 0.04 0.00 0.02 0.00 0.00 55.97 56.13 2kh2 s LYS 16 Cb 0.00 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 2kh2 s LYS 16 CO 0.00 0.30 0.18 -1.12 -0.92 0.00 0.00 175.35 173.79 2kh2 s SER 17 N 0.28 5.84 -0.18 2.83 0.01 0.33 -0.97 113.70 121.83 2kh2 s SER 17 Ca 0.17 0.01 -0.29 0.00 1.31 0.00 0.00 55.95 57.16 2kh2 s SER 17 Cb -0.13 -1.63 -0.00 0.00 0.21 0.00 0.00 66.02 64.47 2kh2 s SER 17 CO 0.04 0.09 0.99 -0.76 0.41 0.00 0.00 173.24 174.01 2kh2 s LEU 18 N -2.98 4.16 0.12 2.44 1.43 -1.18 -2.31 118.68 120.36 2kh2 s LEU 18 Ca 0.32 1.39 0.08 0.00 -1.03 0.00 0.00 54.13 54.89 2kh2 s LEU 18 Cb -0.11 -3.49 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 2kh2 s LEU 18 CO 0.25 -0.55 -0.20 0.68 0.23 0.00 0.00 176.35 176.76 2kh2 s VAL 19 N 2.64 1.72 -0.44 -1.59 -7.23 0.60 -1.73 120.40 114.38 2kh2 s VAL 19 Ca 0.44 -1.65 -0.29 0.00 -1.81 0.00 0.00 61.98 58.67 2kh2 s VAL 19 Cb -0.16 -1.63 0.02 0.00 0.56 0.00 0.00 36.38 35.16 2kh2 s VAL 19 CO 0.11 -0.15 1.27 -0.04 -0.31 0.00 0.00 175.10 175.99 2kh2 s MET 20 N -2.18 3.67 0.00 4.82 -1.94 -1.26 -0.75 119.30 121.65 2kh2 s MET 20 Ca 0.09 0.78 0.00 0.00 -1.71 0.00 0.00 55.69 54.85 2kh2 s MET 20 Cb -0.09 -3.96 0.00 0.00 2.01 0.00 0.00 34.83 32.80 2kh2 s MET 20 CO 0.05 -1.45 0.00 0.45 -0.01 0.00 0.00 175.02 174.06 2kh2 n SER 21 N 8.28 0.00 -2.82 3.03 2.88 0.53 -4.92 113.62 120.59 2kh2 n SER 21 Ca 0.14 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.61 2kh2 n SER 21 Cb 0.48 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.98 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 2.80 0.78 0.29 0.46 0.00 -1.18 -4.91 105.19 103.42 2kh2 n GLY 22 Ca 0.00 -1.99 0.11 0.00 0.00 0.00 0.00 46.02 44.15 2kh2 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kh2 h PRO 23 N 0.00 0.00 -0.34 1.61 0.13 -2.04 -2.97 132.00 128.39 2kh2 h PRO 23 Ca -0.11 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.77 2kh2 h PRO 23 Cb 0.39 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.14 2kh2 h PRO 23 CO 0.11 0.00 -1.03 0.66 -0.23 0.00 0.00 178.00 177.51 2kh2 n TYR 24 N -4.34 1.08 -4.13 1.56 4.01 -1.26 -5.08 117.16 108.99 2kh2 n TYR 24 Ca -0.01 -1.72 -0.15 0.00 -0.16 0.00 0.00 57.90 55.86 2kh2 n TYR 24 Cb 0.16 -0.23 -0.13 0.00 -0.31 0.00 0.00 39.34 38.83 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 -2.84 0.47 -0.03 -0.72 2.12 -1.12 -4.25 118.70 112.33 2kh2 s GLU 25 Ca 0.32 -0.38 0.06 0.00 0.36 0.00 0.00 54.97 55.33 2kh2 s GLU 25 Cb 0.35 -0.38 -0.01 0.00 0.26 0.00 0.00 34.13 34.34 2kh2 s GLU 25 CO -0.06 0.10 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.02 2kh2 s LEU 26 N -0.61 2.03 0.15 2.70 1.43 -1.26 -0.35 118.68 122.77 2kh2 s LEU 26 Ca -0.02 -0.41 0.07 0.00 -1.03 0.00 0.00 54.13 52.74 2kh2 s LEU 26 Cb -0.05 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 2kh2 s LEU 26 CO 0.00 0.25 -0.15 -0.54 0.23 0.00 0.00 176.35 176.14 2kh2 s LYS 27 N -0.36 1.15 -0.19 1.70 1.02 0.07 -1.54 119.74 121.58 2kh2 s LYS 27 Ca 0.04 -1.37 -0.00 0.00 0.02 0.00 0.00 55.97 54.66 2kh2 s LYS 27 Cb -0.10 -1.03 0.01 0.00 -0.52 0.00 0.00 37.83 36.19 2kh2 s LYS 27 CO 0.00 0.19 -0.15 0.00 -0.92 0.00 0.00 175.35 174.48 2kh2 s ALA 28 N -2.39 2.49 0.05 5.17 0.00 0.10 -0.29 121.76 126.89 2kh2 s ALA 28 Ca 0.14 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 2kh2 s ALA 28 Cb -0.04 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 2kh2 s ALA 28 CO 0.04 -0.32 0.07 -0.48 0.00 0.00 0.00 175.76 175.07 2kh2 s LEU 29 N 1.26 1.97 0.08 0.00 0.05 -0.98 -3.06 118.68 118.01 2kh2 s LEU 29 Ca 0.03 -0.71 -0.30 0.00 0.05 0.00 0.00 54.13 53.20 2kh2 s LEU 29 Cb -0.14 0.53 -0.10 0.00 -2.05 0.00 0.00 46.19 44.44 2kh2 s LEU 29 CO -0.08 -0.57 1.90 -1.00 -0.55 0.00 0.00 176.35 176.05 2kh2 s HIS 30 N -3.24 1.67 -0.32 3.48 3.76 -1.26 -0.52 115.29 118.87 2kh2 s HIS 30 Ca 0.00 -0.26 0.02 0.00 -0.15 0.00 0.00 55.06 54.67 2kh2 s HIS 30 Cb 0.03 -4.22 0.10 0.00 1.11 0.00 0.00 32.58 29.60 2kh2 s HIS 30 CO -0.08 -5.25 0.07 -1.17 -0.85 0.00 0.00 174.74 167.46 2kh2 s LEU 31 N 3.68 3.47 -0.18 0.89 2.96 -1.14 -4.89 118.68 123.47 2kh2 s LEU 31 Ca 0.85 -1.86 -0.04 0.00 -0.22 0.00 0.00 54.13 52.85 2kh2 s LEU 31 Cb -0.44 -1.25 0.09 0.00 0.50 0.00 0.00 46.19 45.09 2kh2 s LEU 31 CO 0.39 -0.39 0.30 -1.58 -1.32 0.00 0.00 176.35 173.75 2kh2 s GLN 32 N 1.26 0.22 0.00 1.98 -0.44 -1.26 -4.89 119.66 116.53 2kh2 s GLN 32 Ca 0.10 0.60 0.00 0.00 -2.50 0.00 0.00 55.36 53.56 2kh2 s GLN 32 Cb -0.18 -0.38 0.00 0.00 -1.64 0.00 0.00 33.01 30.81 2kh2 s GLN 32 CO -0.16 -0.45 0.00 0.41 0.50 0.00 0.00 175.29 175.59 2kh2 n GLY 33 N 5.35 0.24 0.26 2.59 0.00 -1.26 -4.82 105.19 107.55 2kh2 n GLY 33 Ca -0.06 -1.09 0.14 0.00 0.00 0.00 0.00 46.02 45.02 2kh2 n GLY 33 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kh2 n GLN 34 N 0.00 1.17 -0.51 1.61 -0.06 -1.26 -3.46 117.38 114.87 2kh2 n GLN 34 Ca 0.00 -0.53 0.03 0.00 -2.00 0.00 0.00 57.00 54.50 2kh2 n GLN 34 Cb 0.00 -1.49 0.22 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 -0.45 3.64 -0.11 1.69 9.92 -1.26 -4.38 116.55 125.59 2kh2 n ASP 35 Ca 0.18 -2.53 0.15 0.00 -0.53 0.00 0.00 54.79 52.05 2kh2 n ASP 35 Cb 0.29 -0.61 0.52 0.00 -0.64 0.00 0.00 41.12 40.68 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 2.17 0.35 -0.72 -1.24 4.05 -1.91 -0.84 114.93 116.78 2kh2 h MET 36 Ca 0.01 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2kh2 h MET 36 Cb 1.36 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 32.08 2kh2 h MET 36 CO 0.29 0.23 0.00 0.39 0.23 0.00 0.00 176.91 178.05 2kh2 n GLU 37 N -4.46 2.78 0.00 0.39 -0.58 -1.26 -3.67 120.64 113.83 2kh2 n GLU 37 Ca 0.12 -1.53 0.12 0.00 -0.42 0.00 0.00 57.16 55.45 2kh2 n GLU 37 Cb 0.48 -1.79 0.30 0.00 -0.57 0.00 0.00 31.44 29.85 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 0.35 0.68 -1.93 3.49 1.13 -0.32 -4.93 117.38 115.85 2kh2 n GLN 38 Ca 0.14 -0.43 -0.33 0.00 -1.94 0.00 0.00 57.00 54.44 2kh2 n GLN 38 Cb 0.66 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.54 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 -2.62 3.07 -0.06 -1.09 -2.07 -1.24 -4.73 119.66 110.92 2kh2 s GLN 39 Ca 0.20 1.34 -0.14 0.00 -1.82 0.00 0.00 55.36 54.94 2kh2 s GLN 39 Cb 0.19 -1.99 -0.05 0.00 -1.09 0.00 0.00 33.01 30.07 2kh2 s GLN 39 CO 0.57 -1.03 0.36 0.08 -1.32 0.00 0.00 175.29 173.96 2kh2 s VAL 40 N -2.32 5.16 -0.23 3.63 1.01 -0.70 -5.02 120.40 121.93 2kh2 s VAL 40 Ca 0.66 0.72 -0.09 0.00 0.00 0.00 0.00 61.98 63.28 2kh2 s VAL 40 Cb -0.19 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2kh2 s VAL 40 CO 0.38 0.51 0.12 -0.69 0.00 0.00 0.00 175.10 175.42 2kh2 s VAL 41 N -0.53 4.94 -0.05 2.92 1.01 -1.26 -4.48 120.40 122.94 2kh2 s VAL 41 Ca 0.22 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 2kh2 s VAL 41 Cb -0.15 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2kh2 s VAL 41 CO 0.10 0.36 0.10 -0.36 0.00 0.00 0.00 175.10 175.30 2kh2 s PHE 42 N 1.11 3.40 -0.26 5.22 0.08 0.48 -1.46 117.98 126.55 2kh2 s PHE 42 Ca 0.06 0.32 -0.15 0.00 0.12 0.00 0.00 56.93 57.28 2kh2 s PHE 42 Cb -0.14 -1.82 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 2kh2 s PHE 42 CO 0.04 0.61 0.39 -1.12 -0.10 0.00 0.00 175.22 175.04 2kh2 s SER 43 N -1.41 6.29 -0.42 1.36 0.01 0.90 -0.96 113.70 119.47 2kh2 s SER 43 Ca 0.20 0.34 -0.14 0.00 1.31 0.00 0.00 55.95 57.65 2kh2 s SER 43 Cb -0.12 -2.22 0.04 0.00 0.21 0.00 0.00 66.02 63.93 2kh2 s SER 43 CO 0.10 -0.19 0.31 -0.32 0.41 0.00 0.00 173.24 173.55 2kh2 s MET 44 N 2.05 2.94 -0.04 12.44 1.75 0.11 -2.81 119.30 135.74 2kh2 s MET 44 Ca 0.16 -1.13 -0.14 0.00 -1.25 0.00 0.00 55.69 53.33 2kh2 s MET 44 Cb -0.16 -3.98 -0.05 0.00 2.84 0.00 0.00 34.83 33.49 2kh2 s MET 44 CO 0.10 -0.82 0.38 -1.12 -0.65 0.00 0.00 175.02 172.91 2kh2 s SER 45 N 1.91 6.72 -0.71 1.11 0.01 -1.15 -1.56 113.70 120.03 2kh2 s SER 45 Ca 0.04 0.86 -0.24 0.00 1.31 0.00 0.00 55.95 57.93 2kh2 s SER 45 Cb -0.20 -2.23 0.06 0.00 0.21 0.00 0.00 66.02 63.85 2kh2 s SER 45 CO 0.08 0.27 1.08 -0.36 0.41 0.00 0.00 173.24 174.72 2kh2 s PHE 46 N -0.71 2.58 0.32 2.43 0.08 -0.48 -1.58 117.98 120.62 2kh2 s PHE 46 Ca 0.23 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.83 2kh2 s PHE 46 Cb -0.16 -4.40 0.06 0.00 -0.57 0.00 0.00 43.02 37.95 2kh2 s PHE 46 CO 0.11 -1.77 0.44 1.33 -0.10 0.00 0.00 175.22 175.23 2kh2 n VAL 47 N 6.06 0.00 -4.23 -0.44 0.24 -0.71 -4.62 118.33 114.63 2kh2 n VAL 47 Ca 0.01 -0.84 -0.32 0.00 -2.04 0.00 0.00 64.34 61.15 2kh2 n VAL 47 Cb 0.47 -0.96 -0.08 0.00 -1.47 0.00 0.00 33.84 31.79 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 -3.50 2.71 0.00 7.34 2.00 -1.22 -4.66 119.66 122.33 2kh2 s GLN 48 Ca 0.31 -0.69 0.00 0.00 -2.00 0.00 0.00 55.36 52.98 2kh2 s GLN 48 Cb -0.02 -2.63 0.00 0.00 0.80 0.00 0.00 33.01 31.16 2kh2 s GLN 48 CO 0.20 0.60 0.00 0.41 -0.50 0.00 0.00 175.29 176.00 2kh2 n GLY 49 N 1.11 -0.26 3.55 2.59 0.00 -1.26 -4.94 105.19 105.98 2kh2 n GLY 49 Ca -0.13 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.69 2.62 -0.02 1.61 2.56 -1.26 -4.90 118.70 118.61 2kh2 s GLU 50 Ca 0.00 0.43 0.06 0.00 0.00 0.00 0.00 54.97 55.46 2kh2 s GLU 50 Cb 0.00 -4.51 -0.03 0.00 2.00 0.00 0.00 34.13 31.59 2kh2 s GLU 50 CO 0.00 -2.85 -0.19 -2.00 -0.56 0.00 0.00 175.26 169.67 2kh2 s GLU 51 N 7.02 2.30 0.00 4.30 2.12 -1.26 -3.00 118.70 130.18 2kh2 s GLU 51 Ca 0.67 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 55.19 2kh2 s GLU 51 Cb -0.11 -2.24 0.00 0.00 0.26 0.00 0.00 34.13 32.04 2kh2 s GLU 51 CO 0.17 0.59 0.00 -1.13 -0.54 0.00 0.00 175.26 174.35 2kh2 n SER 52 N 2.22 0.00 0.13 -1.70 3.41 0.89 -4.94 113.62 113.63 2kh2 n SER 52 Ca -0.17 -0.08 0.12 0.00 -0.26 0.00 0.00 58.87 58.48 2kh2 n SER 52 Cb 0.52 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.55 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 0.00 0.00 0.00 4.04 4.21 -2.00 -3.38 115.58 118.45 2kh2 h ASN 53 Ca 0.00 -0.03 -0.12 0.00 1.21 0.00 0.00 56.30 57.37 2kh2 h ASN 53 Cb 0.00 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 2kh2 h ASN 53 CO 0.00 0.01 -1.44 -0.90 -1.29 0.00 0.00 177.43 173.82 2kh2 n ASP 54 N -2.71 3.43 -4.73 5.81 5.75 -1.26 -4.96 116.55 117.88 2kh2 n ASP 54 Ca 0.02 -0.02 -0.35 0.00 -0.01 0.00 0.00 54.79 54.43 2kh2 n ASP 54 Cb 0.53 0.33 -0.08 0.00 -1.03 0.00 0.00 41.12 40.87 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 -2.15 4.02 -0.07 0.11 1.02 -1.26 -2.27 119.74 119.15 2kh2 s LYS 55 Ca -0.06 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 55.69 2kh2 s LYS 55 Cb 0.02 -3.33 0.02 0.00 -0.52 0.00 0.00 37.83 34.02 2kh2 s LYS 55 CO 0.23 0.37 -0.04 0.42 -0.92 0.00 0.00 175.35 175.40 2kh2 s ILE 56 N 0.15 0.61 -0.44 2.17 -1.09 -0.47 -0.08 121.20 122.05 2kh2 s ILE 56 Ca 0.08 -0.10 -0.29 0.00 -2.23 0.00 0.00 60.65 58.11 2kh2 s ILE 56 Cb -0.11 -0.67 0.02 0.00 -1.58 0.00 0.00 42.46 40.11 2kh2 s ILE 56 CO -0.01 0.27 1.33 -2.16 -1.23 0.00 0.00 174.94 173.14 2kh2 s PRO 57 N 1.36 3.60 0.18 2.79 0.04 -1.16 -0.53 135.00 141.27 2kh2 s PRO 57 Ca -0.04 0.79 0.02 0.00 0.04 0.00 0.00 61.00 61.82 2kh2 s PRO 57 Cb -0.13 -4.00 -0.05 0.00 0.04 0.00 0.00 34.50 30.36 2kh2 s PRO 57 CO -0.03 -1.54 -0.01 0.14 0.04 0.00 0.00 177.00 175.61 2kh2 s VAL 58 N 5.19 0.77 0.15 -0.36 -7.23 -0.29 -1.74 120.40 116.89 2kh2 s VAL 58 Ca 0.57 -1.99 0.07 0.00 -1.81 0.00 0.00 61.98 58.81 2kh2 s VAL 58 Cb -0.11 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 2kh2 s VAL 58 CO 0.32 -0.49 -0.02 0.00 -0.31 0.00 0.00 175.10 174.60 2kh2 s ALA 59 N -3.59 3.18 -0.24 1.32 0.00 -0.61 -0.23 121.76 121.58 2kh2 s ALA 59 Ca 0.23 -1.31 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 2kh2 s ALA 59 Cb 0.06 -1.01 0.07 0.00 0.00 0.00 0.00 23.12 22.23 2kh2 s ALA 59 CO 0.04 0.54 -0.00 -0.51 0.00 0.00 0.00 175.76 175.83 2kh2 s LEU 60 N -2.73 2.30 0.15 0.00 1.43 -1.26 -2.92 118.68 115.66 2kh2 s LEU 60 Ca 0.26 -1.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.18 2kh2 s LEU 60 Cb -0.10 -1.01 -0.05 0.00 0.03 0.00 0.00 46.19 45.06 2kh2 s LEU 60 CO 0.18 -0.29 -0.05 -0.83 0.23 0.00 0.00 176.35 175.59 2kh2 s GLY 61 N 1.52 1.09 0.14 -3.19 0.00 -1.12 -1.29 107.32 104.46 2kh2 s GLY 61 Ca -0.01 -1.51 -0.30 0.00 0.00 0.00 0.00 44.72 42.89 2kh2 s GLY 61 CO -0.09 -1.55 1.13 1.08 0.00 0.00 0.00 173.10 173.67 2kh2 s LEU 62 N -3.15 4.45 0.20 0.66 1.02 0.56 -0.07 118.68 122.34 2kh2 s LEU 62 Ca 0.19 2.06 -0.33 0.00 0.02 0.00 0.00 54.13 56.07 2kh2 s LEU 62 Cb 0.05 -3.60 -0.13 0.00 0.02 0.00 0.00 46.19 42.53 2kh2 s LEU 62 CO 0.01 -0.30 1.54 1.17 0.02 0.00 0.00 176.35 178.79 2kh2 n LYS 63 N 2.85 2.20 -1.84 1.70 4.81 -0.53 -1.80 118.16 125.55 2kh2 n LYS 63 Ca 0.05 0.79 -0.15 0.00 -0.87 0.00 0.00 58.31 58.13 2kh2 n LYS 63 Cb 0.46 -2.54 -0.04 0.00 0.02 0.00 0.00 35.03 32.94 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 2.98 -1.63 -4.20 1.64 0.28 -1.26 -4.95 120.64 113.50 2kh2 n GLU 64 Ca 0.15 0.80 -0.14 0.00 -0.16 0.00 0.00 57.16 57.81 2kh2 n GLU 64 Cb 0.30 -5.21 -0.10 0.00 1.43 0.00 0.00 31.44 27.86 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 -3.97 0.93 -0.24 3.44 1.02 -0.75 -5.04 119.74 115.13 2kh2 s LYS 65 Ca 0.00 -1.29 0.06 0.00 0.02 0.00 0.00 55.97 54.76 2kh2 s LYS 65 Cb 0.00 -0.53 0.51 0.00 -0.52 0.00 0.00 37.83 37.29 2kh2 s LYS 65 CO 0.00 0.07 1.50 0.27 -0.92 0.00 0.00 175.35 176.26 2kh2 n ASN 66 N 0.20 3.86 -4.57 2.83 0.23 -1.26 -4.50 115.26 112.05 2kh2 n ASN 66 Ca -0.13 -2.88 -0.38 0.00 -0.53 0.00 0.00 54.58 50.66 2kh2 n ASN 66 Cb 0.59 -0.68 -0.11 0.00 -2.08 0.00 0.00 39.78 37.50 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 -2.07 3.93 0.11 -4.53 1.43 -1.26 -0.91 118.68 115.38 2kh2 s LEU 67 Ca 0.38 -0.04 0.09 0.00 -1.03 0.00 0.00 54.13 53.54 2kh2 s LEU 67 Cb 0.31 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 2kh2 s LEU 67 CO 0.09 -0.04 -0.24 -0.31 0.23 0.00 0.00 176.35 176.08 2kh2 s TYR 68 N 1.70 2.01 -0.21 0.29 1.51 -0.36 -0.32 117.35 121.98 2kh2 s TYR 68 Ca 0.07 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.44 2kh2 s TYR 68 Cb -0.16 -1.10 -0.02 0.00 -0.11 0.00 0.00 41.96 40.58 2kh2 s TYR 68 CO 0.09 0.26 1.42 -0.51 -1.11 0.00 0.00 175.55 175.71 2kh2 s LEU 69 N -1.98 4.02 -0.16 -1.29 1.43 -0.41 -1.09 118.68 119.19 2kh2 s LEU 69 Ca 0.10 1.58 -0.04 0.00 -1.03 0.00 0.00 54.13 54.74 2kh2 s LEU 69 Cb -0.10 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 2kh2 s LEU 69 CO 0.05 -1.02 -0.03 -0.55 0.23 0.00 0.00 176.35 175.03 2kh2 s SER 70 N 3.04 4.83 -0.42 2.29 0.15 0.64 -4.44 113.70 119.79 2kh2 s SER 70 Ca 0.62 -0.13 -0.13 0.00 0.70 0.00 0.00 55.95 57.01 2kh2 s SER 70 Cb -0.22 -1.79 0.05 0.00 -1.71 0.00 0.00 66.02 62.34 2kh2 s SER 70 CO 0.23 0.16 0.30 0.00 1.20 0.00 0.00 173.24 175.13 2kh2 s VAL 72 N 1.60 0.28 -0.25 0.00 -7.23 -0.94 -4.68 120.40 109.17 2kh2 s VAL 72 Ca 0.04 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.07 2kh2 s VAL 72 Cb -0.21 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 2kh2 s VAL 72 CO 0.07 0.00 0.28 -0.76 -0.31 0.00 0.00 175.10 174.38 2kh2 s LEU 73 N -3.25 4.07 -0.17 1.32 1.43 -1.26 0.09 118.68 120.91 2kh2 s LEU 73 Ca 0.38 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.70 2kh2 s LEU 73 Cb 0.07 -2.29 0.03 0.00 0.03 0.00 0.00 46.19 44.03 2kh2 s LEU 73 CO 0.13 -0.08 -0.12 -0.54 0.23 0.00 0.00 176.35 175.98 2kh2 s LYS 74 N 1.64 2.09 -1.16 1.70 1.02 0.74 -4.76 119.74 121.02 2kh2 s LYS 74 Ca 0.12 -0.68 -0.02 0.00 0.02 0.00 0.00 55.97 55.41 2kh2 s LYS 74 Cb -0.15 -2.23 -0.02 0.00 -0.52 0.00 0.00 37.83 34.90 2kh2 s LYS 74 CO 0.09 -0.34 0.97 -3.47 -0.92 0.00 0.00 175.35 171.67 2kh2 n ASP 75 N 4.74 -3.43 -2.11 2.83 4.64 -1.26 -2.42 116.55 119.54 2kh2 n ASP 75 Ca -0.15 -0.65 -0.19 0.00 -1.38 0.00 0.00 54.79 52.42 2kh2 n ASP 75 Cb 0.48 -5.13 -0.03 0.00 -1.04 0.00 0.00 41.12 35.40 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 -3.16 -5.21 -3.70 1.67 9.92 -1.26 -4.97 116.55 109.84 2kh2 n ASP 76 Ca -0.22 0.19 -0.14 0.00 -0.53 0.00 0.00 54.79 54.09 2kh2 n ASP 76 Cb 0.65 -4.45 -0.14 0.00 -0.64 0.00 0.00 41.12 36.55 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 -4.53 0.14 0.15 -1.24 2.47 -1.01 -5.13 119.74 110.59 2kh2 s LYS 77 Ca 0.00 0.57 -0.31 0.00 -1.56 0.00 0.00 55.97 54.67 2kh2 s LYS 77 Cb 0.00 -0.13 -0.10 0.00 -1.46 0.00 0.00 37.83 36.13 2kh2 s LYS 77 CO 0.00 -0.22 1.67 -2.14 0.16 0.00 0.00 175.35 174.81 2kh2 s PRO 78 N 1.75 4.17 -0.04 4.03 0.02 -1.26 -0.18 135.00 143.50 2kh2 s PRO 78 Ca -0.04 2.46 -0.08 0.00 0.02 0.00 0.00 61.00 63.36 2kh2 s PRO 78 Cb -0.11 -3.27 0.01 0.00 0.02 0.00 0.00 34.50 31.15 2kh2 s PRO 78 CO -0.08 -0.70 0.19 0.99 -0.33 0.00 0.00 177.00 177.07 2kh2 s THR 79 N 1.64 0.04 0.39 0.99 2.01 0.11 -4.75 115.64 116.08 2kh2 s THR 79 Ca 0.74 -0.33 -0.15 0.00 0.31 0.00 0.00 61.69 62.26 2kh2 s THR 79 Cb -0.45 -0.38 -0.09 0.00 0.01 0.00 0.00 72.50 71.59 2kh2 s THR 79 CO 0.32 -0.18 0.82 -0.22 -0.69 0.00 0.00 174.62 174.67 2kh2 s LEU 80 N -0.64 3.93 0.32 4.42 2.96 -1.26 -2.22 118.68 126.18 2kh2 s LEU 80 Ca -0.07 1.36 -0.17 0.00 -0.22 0.00 0.00 54.13 55.03 2kh2 s LEU 80 Cb -0.04 -4.21 0.03 0.00 0.50 0.00 0.00 46.19 42.47 2kh2 s LEU 80 CO 0.01 -0.33 0.70 0.00 -1.32 0.00 0.00 176.35 175.41 2kh2 s GLN 81 N -3.37 1.95 -0.33 1.98 -2.07 -0.13 -4.85 119.66 112.84 2kh2 s GLN 81 Ca 0.56 -1.25 -0.10 0.00 -1.82 0.00 0.00 55.36 52.74 2kh2 s GLN 81 Cb -0.10 0.59 0.00 0.00 -1.09 0.00 0.00 33.01 32.41 2kh2 s GLN 81 CO 0.22 -0.89 0.17 -0.51 -1.32 0.00 0.00 175.29 172.96 2kh2 s LEU 82 N -3.01 4.34 -0.09 2.60 2.01 -1.26 -0.26 118.68 123.00 2kh2 s LEU 82 Ca 0.15 -0.68 -0.00 0.00 0.01 0.00 0.00 54.13 53.61 2kh2 s LEU 82 Cb -0.05 -2.02 -0.03 0.00 0.01 0.00 0.00 46.19 44.11 2kh2 s LEU 82 CO 0.10 -0.26 -0.06 -0.70 1.01 0.00 0.00 176.35 176.43 2kh2 s GLU 83 N 1.60 2.98 -0.17 1.70 2.12 -0.25 -4.93 118.70 121.75 2kh2 s GLU 83 Ca 0.04 -0.54 -0.22 0.00 0.36 0.00 0.00 54.97 54.60 2kh2 s GLU 83 Cb -0.18 -2.66 -0.02 0.00 0.26 0.00 0.00 34.13 31.52 2kh2 s GLU 83 CO 0.07 0.56 0.69 -1.12 -0.54 0.00 0.00 175.26 174.91 2kh2 s SER 84 N -0.52 6.81 0.30 -1.70 0.01 -1.26 -1.22 113.70 116.12 2kh2 s SER 84 Ca 0.08 0.98 0.09 0.00 1.31 0.00 0.00 55.95 58.41 2kh2 s SER 84 Cb -0.12 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 2kh2 s SER 84 CO 0.02 -0.27 0.04 0.68 0.41 0.00 0.00 173.24 174.12 2kh2 s VAL 85 N 1.75 3.18 -0.18 3.43 -7.23 -0.09 -5.01 120.40 116.25 2kh2 s VAL 85 Ca 0.33 -1.86 -0.36 0.00 -1.81 0.00 0.00 61.98 58.27 2kh2 s VAL 85 Cb -0.16 -2.87 -0.13 0.00 0.56 0.00 0.00 36.38 33.77 2kh2 s VAL 85 CO 0.12 -0.29 1.86 -0.67 -0.31 0.00 0.00 175.10 175.81 2kh2 n ASP 86 N -0.98 2.96 0.18 4.85 4.64 -1.26 -4.84 116.55 122.11 2kh2 n ASP 86 Ca -0.05 0.96 0.13 0.00 -1.38 0.00 0.00 54.79 54.45 2kh2 n ASP 86 Cb 0.60 -1.28 0.61 0.00 -1.04 0.00 0.00 41.12 40.01 2kh2 n ASP 86 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2kh2 h PRO 87 N 8.79 0.00 0.00 -0.67 0.13 -1.93 -2.51 132.00 135.80 2kh2 h PRO 87 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kh2 h PRO 87 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2kh2 h PRO 87 CO 0.96 0.00 -1.39 0.36 -0.23 0.00 0.00 178.00 177.70 2kh2 n LYS 88 N -2.43 0.54 -0.18 0.86 2.85 -1.26 -4.49 118.16 114.05 2kh2 n LYS 88 Ca 0.00 -0.09 0.11 0.00 -1.05 0.00 0.00 58.31 57.29 2kh2 n LYS 88 Cb 0.17 -1.22 0.26 0.00 -0.65 0.00 0.00 35.03 33.59 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 -1.81 2.98 -4.07 -5.58 3.02 -1.10 -4.90 115.26 103.80 2kh2 n ASN 89 Ca -0.02 -1.93 -0.14 0.00 -0.03 0.00 0.00 54.58 52.46 2kh2 n ASN 89 Cb 0.26 -0.23 -0.12 0.00 -0.61 0.00 0.00 39.78 39.07 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 -1.54 0.75 0.70 3.10 1.51 -0.96 -4.56 117.35 116.34 2kh2 s TYR 90 Ca 0.37 -0.43 -0.06 0.00 -1.01 0.00 0.00 57.07 55.94 2kh2 s TYR 90 Cb 0.21 -0.45 0.15 0.00 -0.11 0.00 0.00 41.96 41.77 2kh2 s TYR 90 CO 0.30 -0.05 0.96 -0.35 -1.11 0.00 0.00 175.55 175.29 2kh2 n PRO 91 N 1.66 -0.44 -3.80 -1.71 -0.04 -1.26 -4.85 135.00 124.56 2kh2 n PRO 91 Ca -0.21 -2.07 -0.10 0.00 -0.04 0.00 0.00 63.50 61.08 2kh2 n PRO 91 Cb 0.55 -0.80 -0.06 0.00 -0.04 0.00 0.00 33.50 33.15 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 -4.99 1.06 0.08 0.54 -2.85 -1.26 -5.07 119.74 107.25 2kh2 s LYS 92 Ca 0.59 -0.93 -0.16 0.00 -1.00 0.00 0.00 55.97 54.47 2kh2 s LYS 92 Cb -0.03 0.41 -0.11 0.00 -2.06 0.00 0.00 37.83 36.05 2kh2 s LYS 92 CO 0.40 -0.39 1.38 -0.22 0.10 0.00 0.00 175.35 176.62 2kh2 h LYS 93 N 2.51 0.64 -4.23 1.78 3.64 -1.94 -3.37 116.57 115.60 2kh2 h LYS 93 Ca -0.33 -0.36 -0.75 0.00 -1.27 0.00 0.00 60.65 57.94 2kh2 h LYS 93 Cb 1.23 0.02 -0.23 0.00 -0.41 0.00 0.00 32.23 32.84 2kh2 h LYS 93 CO 0.49 0.97 0.26 0.21 -2.27 0.00 0.00 179.45 179.11 2kh2 s LYS 94 N -4.25 3.50 0.60 1.90 2.47 -1.26 -3.45 119.74 119.25 2kh2 s LYS 94 Ca -0.13 -2.12 -0.04 0.00 -1.56 0.00 0.00 55.97 52.13 2kh2 s LYS 94 Cb 0.08 -4.52 0.03 0.00 -1.46 0.00 0.00 37.83 31.95 2kh2 s LYS 94 CO 0.82 -1.44 0.88 -1.64 0.16 0.00 0.00 175.35 174.13 2kh2 s MET 95 N 1.14 2.62 0.56 4.03 -1.94 -1.26 -5.05 119.30 119.41 2kh2 s MET 95 Ca 0.20 -0.33 -0.20 0.00 -1.71 0.00 0.00 55.69 53.65 2kh2 s MET 95 Cb -0.12 -2.33 -0.04 0.00 2.01 0.00 0.00 34.83 34.35 2kh2 s MET 95 CO -0.07 -0.81 1.24 -1.21 -0.01 0.00 0.00 175.02 174.16 2kh2 s GLU 96 N -4.96 3.12 0.56 2.03 8.01 -1.26 -4.85 118.70 121.35 2kh2 s GLU 96 Ca 0.56 1.92 0.25 0.00 0.01 0.00 0.00 54.97 57.71 2kh2 s GLU 96 Cb -0.10 -2.08 1.54 0.00 -4.31 0.00 0.00 34.13 29.18 2kh2 s GLU 96 CO 0.42 -1.11 2.14 -0.22 0.01 0.00 0.00 175.26 176.51 2kh2 h LYS 97 N 1.20 0.00 0.00 1.61 1.63 -1.96 0.12 116.57 119.16 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 1.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2kh2 h LYS 97 CO 0.56 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 179.45 2kh2 n ARG 98 N -4.12 0.22 0.00 1.90 1.85 -1.26 -2.99 116.66 112.26 2kh2 n ARG 98 Ca 0.00 0.02 0.04 0.00 -1.00 0.00 0.00 57.85 56.91 2kh2 n ARG 98 Cb 0.23 -1.50 0.03 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 -1.38 0.00 -3.46 2.89 3.72 0.36 -0.48 117.46 119.11 2kh2 n PHE 99 Ca 0.10 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.12 2kh2 n PHE 99 Cb 0.27 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.72 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 -0.62 5.24 0.06 -4.37 1.01 -0.95 -4.18 120.40 116.58 2kh2 s VAL 100 Ca 0.08 0.53 0.06 0.00 0.00 0.00 0.00 61.98 62.65 2kh2 s VAL 100 Cb 0.06 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2kh2 s VAL 100 CO 0.09 0.25 -0.09 -0.36 0.00 0.00 0.00 175.10 174.99 2kh2 s PHE 101 N 1.46 2.78 -0.51 5.22 0.08 0.68 -2.43 117.98 125.26 2kh2 s PHE 101 Ca 0.15 -0.12 -0.16 0.00 0.12 0.00 0.00 56.93 56.92 2kh2 s PHE 101 Cb -0.15 -1.50 0.10 0.00 -0.57 0.00 0.00 43.02 40.90 2kh2 s PHE 101 CO 0.08 0.39 0.45 -0.80 -0.10 0.00 0.00 175.22 175.24 2kh2 s ASN 102 N -1.84 6.17 -0.68 1.36 0.02 0.21 -1.14 114.94 119.03 2kh2 s ASN 102 Ca 0.19 -1.56 -0.27 0.00 -1.02 0.00 0.00 52.86 50.20 2kh2 s ASN 102 Cb -0.11 -2.20 0.02 0.00 0.02 0.00 0.00 41.25 38.98 2kh2 s ASN 102 CO 0.11 -0.76 1.43 -0.75 0.02 0.00 0.00 177.10 177.14 2kh2 s LYS 103 N 1.64 3.08 0.15 -0.60 2.20 0.31 -1.45 119.74 125.07 2kh2 s LYS 103 Ca 0.04 0.05 0.02 0.00 -0.36 0.00 0.00 55.97 55.72 2kh2 s LYS 103 Cb -0.27 -4.22 -0.04 0.00 -1.51 0.00 0.00 37.83 31.80 2kh2 s LYS 103 CO 0.05 -2.25 0.28 0.42 -0.36 0.00 0.00 175.35 173.49 2kh2 s ILE 104 N 6.53 5.33 -0.39 5.43 1.01 0.81 -1.37 121.20 138.54 2kh2 s ILE 104 Ca 0.45 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.45 2kh2 s ILE 104 Cb -0.09 -3.74 0.14 0.00 0.01 0.00 0.00 42.46 38.78 2kh2 s ILE 104 CO 0.18 -0.08 0.23 -1.61 0.00 0.00 0.00 174.94 173.65 2kh2 s GLU 105 N -3.20 0.85 0.18 2.79 2.02 -0.96 -0.70 118.70 119.67 2kh2 s GLU 105 Ca 0.35 -1.62 -0.14 0.00 0.02 0.00 0.00 54.97 53.58 2kh2 s GLU 105 Cb -0.11 -1.70 0.08 0.00 0.10 0.00 0.00 34.13 32.49 2kh2 s GLU 105 CO 0.28 -1.20 1.83 -0.84 0.02 0.00 0.00 175.26 175.36 2kh2 h ILE 106 N 5.09 1.15 0.00 -1.63 3.07 -1.91 -3.47 117.51 119.81 2kh2 h ILE 106 Ca 0.04 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 66.15 2kh2 h ILE 106 Cb 0.95 0.35 0.00 0.00 -0.27 0.00 0.00 36.82 37.85 2kh2 h ILE 106 CO 0.35 0.15 0.00 -0.46 -1.05 0.00 0.00 178.15 177.14 2kh2 n ASN 107 N -4.68 0.00 0.06 2.16 0.23 -1.26 -4.99 115.26 106.77 2kh2 n ASN 107 Ca 0.03 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.19 2kh2 n ASN 107 Cb 0.03 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.67 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 0.57 -4.89 0.53 2.85 -1.26 -4.89 115.26 108.16 2kh2 n ASN 108 Ca 0.00 0.22 -0.35 0.00 -0.11 0.00 0.00 54.58 54.35 2kh2 n ASN 108 Cb 0.00 0.93 -0.05 0.00 1.24 0.00 0.00 39.78 41.90 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 -3.37 3.46 -0.06 1.20 -0.14 -1.26 -4.97 119.74 114.60 2kh2 s LYS 109 Ca -0.03 -0.23 -0.04 0.00 -1.36 0.00 0.00 55.97 54.31 2kh2 s LYS 109 Cb 0.11 -3.12 -0.04 0.00 -1.68 0.00 0.00 37.83 33.10 2kh2 s LYS 109 CO 0.83 0.70 0.13 -0.51 -0.76 0.00 0.00 175.35 175.75 2kh2 s LEU 110 N -1.65 4.23 0.03 3.17 1.02 -0.34 -3.56 118.68 121.58 2kh2 s LEU 110 Ca 0.24 0.34 0.08 0.00 0.02 0.00 0.00 54.13 54.80 2kh2 s LEU 110 Cb -0.13 -2.28 -0.02 0.00 0.02 0.00 0.00 46.19 43.78 2kh2 s LEU 110 CO 0.14 0.33 -0.22 -1.83 0.02 0.00 0.00 176.35 174.79 2kh2 s GLU 111 N -1.47 1.53 -0.32 1.70 -1.05 0.12 -0.18 118.70 119.02 2kh2 s GLU 111 Ca 0.21 -0.95 -0.00 0.00 -0.15 0.00 0.00 54.97 54.08 2kh2 s GLU 111 Cb -0.12 -1.63 0.07 0.00 -0.44 0.00 0.00 34.13 32.01 2kh2 s GLU 111 CO 0.11 0.42 0.03 -0.06 0.95 0.00 0.00 175.26 176.72 2kh2 s PHE 112 N -0.75 3.43 0.04 4.83 0.08 -1.26 -0.14 117.98 124.21 2kh2 s PHE 112 Ca 0.08 -2.28 -0.11 0.00 0.12 0.00 0.00 56.93 54.75 2kh2 s PHE 112 Cb -0.09 -2.47 -0.05 0.00 -0.57 0.00 0.00 43.02 39.83 2kh2 s PHE 112 CO 0.01 -0.88 0.37 -2.00 -0.10 0.00 0.00 175.22 172.62 2kh2 s GLU 113 N 1.14 3.76 -0.07 0.44 2.12 -0.53 -1.89 118.70 123.67 2kh2 s GLU 113 Ca 0.00 0.19 -0.28 0.00 0.36 0.00 0.00 54.97 55.24 2kh2 s GLU 113 Cb -0.20 -3.08 -0.02 0.00 0.26 0.00 0.00 34.13 31.08 2kh2 s GLU 113 CO -0.04 0.62 0.92 0.45 -0.54 0.00 0.00 175.26 176.68 2kh2 s SER 114 N -1.52 7.21 0.23 -1.70 0.15 0.72 0.65 113.70 119.44 2kh2 s SER 114 Ca 0.29 1.47 -0.03 0.00 0.70 0.00 0.00 55.95 58.38 2kh2 s SER 114 Cb -0.14 -2.52 0.24 0.00 -1.71 0.00 0.00 66.02 61.88 2kh2 s SER 114 CO 0.16 -0.32 1.66 0.00 1.20 0.00 0.00 173.24 175.94 2kh2 h ALA 115 N 6.97 0.94 -0.67 5.45 0.00 -1.73 -2.86 119.26 127.37 2kh2 h ALA 115 Ca -0.36 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.16 2kh2 h ALA 115 Cb 1.18 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2kh2 h ALA 115 CO 0.80 0.61 0.27 0.37 0.00 0.00 0.00 179.25 181.30 2kh2 h GLN 116 N 0.67 1.00 -4.52 0.00 5.75 -1.76 -3.39 115.11 112.86 2kh2 h GLN 116 Ca 0.10 -0.18 -0.65 0.00 -0.15 0.00 0.00 58.65 57.77 2kh2 h GLN 116 Cb 0.67 -0.16 -0.40 0.00 1.07 0.00 0.00 27.48 28.66 2kh2 h GLN 116 CO 0.05 0.83 -0.74 -0.06 -2.65 0.00 0.00 178.83 176.26 2kh2 s PHE 117 N -5.55 3.30 0.30 3.99 0.08 -1.08 -5.09 117.98 113.93 2kh2 s PHE 117 Ca -0.13 -2.64 -0.29 0.00 0.12 0.00 0.00 56.93 53.99 2kh2 s PHE 117 Cb 0.14 -2.53 -0.11 0.00 -0.57 0.00 0.00 43.02 39.95 2kh2 s PHE 117 CO 0.81 -0.92 1.47 -2.14 -0.10 0.00 0.00 175.22 174.34 2kh2 s PRO 118 N 1.07 4.21 0.00 0.24 0.02 -1.23 -2.23 135.00 137.08 2kh2 s PRO 118 Ca 0.07 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.52 2kh2 s PRO 118 Cb -0.19 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.28 2kh2 s PRO 118 CO -0.10 -0.47 0.00 0.09 -0.33 0.00 0.00 177.00 176.19 2kh2 n ASN 119 N 1.63 -2.00 -4.35 2.53 5.03 -1.26 -5.00 115.26 111.84 2kh2 n ASN 119 Ca 0.05 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.12 2kh2 n ASN 119 Cb 0.39 -0.62 -0.12 0.00 -1.02 0.00 0.00 39.78 38.41 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2kh2 s TRP 120 N -2.60 3.17 0.27 3.10 0.52 -0.95 -4.34 118.94 118.11 2kh2 s TRP 120 Ca 0.00 -0.96 0.10 0.00 0.02 0.00 0.00 56.10 55.26 2kh2 s TRP 120 Cb 0.00 -2.28 -0.05 0.00 -1.15 0.00 0.00 33.47 29.99 2kh2 s TRP 120 CO 0.00 -0.58 -0.06 0.71 0.02 0.00 0.00 176.95 177.04 2kh2 s TYR 121 N 1.51 2.57 0.06 -1.98 1.51 0.78 -0.20 117.35 121.60 2kh2 s TYR 121 Ca 0.02 -0.26 -0.31 0.00 -1.01 0.00 0.00 57.07 55.51 2kh2 s TYR 121 Cb -0.18 -1.15 -0.07 0.00 -0.11 0.00 0.00 41.96 40.46 2kh2 s TYR 121 CO 0.03 0.64 1.44 0.42 -1.11 0.00 0.00 175.55 176.97 2kh2 s ILE 122 N -2.39 3.40 0.11 2.71 1.01 -0.79 -0.02 121.20 125.23 2kh2 s ILE 122 Ca 0.31 0.92 0.06 0.00 0.00 0.00 0.00 60.65 61.94 2kh2 s ILE 122 Cb -0.06 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 2kh2 s ILE 122 CO 0.18 0.03 -0.14 -0.44 0.00 0.00 0.00 174.94 174.57 2kh2 s SER 123 N 1.60 1.94 0.07 3.58 0.01 0.09 -4.29 113.70 116.71 2kh2 s SER 123 Ca 0.66 -0.77 0.04 0.00 1.31 0.00 0.00 55.95 57.19 2kh2 s SER 123 Cb -0.35 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 65.78 2kh2 s SER 123 CO 0.29 -0.13 -0.12 0.42 0.41 0.00 0.00 173.24 174.11 2kh2 s THR 124 N -1.96 0.98 0.72 1.44 -4.23 -0.83 -2.55 115.64 109.22 2kh2 s THR 124 Ca 0.07 -1.31 -0.09 0.00 -1.18 0.00 0.00 61.69 59.18 2kh2 s THR 124 Cb -0.06 -1.02 0.05 0.00 1.34 0.00 0.00 72.50 72.81 2kh2 s THR 124 CO 0.03 -0.30 1.07 -0.44 -0.54 0.00 0.00 174.62 174.44 2kh2 s SER 125 N -1.81 4.92 0.15 3.99 0.01 -1.26 -0.81 113.70 118.89 2kh2 s SER 125 Ca -0.03 0.71 0.27 0.00 1.31 0.00 0.00 55.95 58.21 2kh2 s SER 125 Cb -0.09 -1.38 0.94 0.00 0.21 0.00 0.00 66.02 65.70 2kh2 s SER 125 CO 0.02 -1.58 1.82 0.00 0.41 0.00 0.00 173.24 173.90 2kh2 n GLN 126 N -3.02 0.18 -1.95 12.44 1.13 -1.26 -4.84 117.38 120.05 2kh2 n GLN 126 Ca 0.07 0.16 -0.30 0.00 -1.94 0.00 0.00 57.00 54.99 2kh2 n GLN 126 Cb 0.60 -1.71 0.02 0.00 0.11 0.00 0.00 30.24 29.25 2kh2 n GLN 126 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kh2 s ALA 127 N -3.08 3.09 0.17 -1.58 0.00 -1.26 -5.06 121.76 114.03 2kh2 s ALA 127 Ca 0.11 -0.20 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 2kh2 s ALA 127 Cb 0.14 -3.01 -0.07 0.00 0.00 0.00 0.00 23.12 20.18 2kh2 s ALA 127 CO 0.57 -0.77 0.51 -2.00 0.00 0.00 0.00 175.76 174.07 2kh2 s GLU 128 N -5.18 3.85 -1.10 0.00 2.56 -1.26 -4.17 118.70 113.40 2kh2 s GLU 128 Ca 0.55 0.32 0.00 0.00 0.00 0.00 0.00 54.97 55.84 2kh2 s GLU 128 Cb -0.11 -2.83 0.00 0.00 2.00 0.00 0.00 34.13 33.19 2kh2 s GLU 128 CO 0.52 0.43 0.00 -1.71 -0.56 0.00 0.00 175.26 173.95 2kh2 n ASN 129 N 0.43 -4.02 -4.88 -1.70 5.15 -1.17 -5.01 115.26 104.05 2kh2 n ASN 129 Ca -0.03 0.01 -0.34 0.00 -0.60 0.00 0.00 54.58 53.62 2kh2 n ASN 129 Cb 0.52 -3.18 -0.05 0.00 -0.53 0.00 0.00 39.78 36.54 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 -4.50 3.69 0.91 1.20 -1.94 -1.19 -4.86 119.30 112.61 2kh2 s MET 130 Ca 0.00 0.07 -0.12 0.00 -1.71 0.00 0.00 55.69 53.93 2kh2 s MET 130 Cb 0.00 -2.98 0.14 0.00 2.01 0.00 0.00 34.83 34.00 2kh2 s MET 130 CO 0.00 0.56 1.11 -2.14 -0.01 0.00 0.00 175.02 174.54 2kh2 s PRO 131 N -2.04 1.13 -0.17 2.03 0.02 -1.26 0.02 135.00 134.72 2kh2 s PRO 131 Ca 0.34 0.50 -0.08 0.00 0.02 0.00 0.00 61.00 61.77 2kh2 s PRO 131 Cb -0.13 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 2kh2 s PRO 131 CO 0.19 -2.25 0.11 0.08 -0.33 0.00 0.00 177.00 174.80 2kh2 s VAL 132 N -3.11 5.23 0.33 3.83 1.01 -0.59 -4.60 120.40 122.50 2kh2 s VAL 132 Ca 0.64 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.80 2kh2 s VAL 132 Cb -0.16 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 2kh2 s VAL 132 CO 0.55 0.49 0.30 0.72 0.00 0.00 0.00 175.10 177.16 2kh2 s PHE 133 N 0.03 1.68 -0.19 5.22 -0.12 -1.06 -4.88 117.98 118.66 2kh2 s PHE 133 Ca 0.08 -1.62 -0.11 0.00 -0.05 0.00 0.00 56.93 55.23 2kh2 s PHE 133 Cb -0.12 -0.64 -0.05 0.00 -0.63 0.00 0.00 43.02 41.59 2kh2 s PHE 133 CO -0.00 -0.91 0.19 -1.17 -0.05 0.00 0.00 175.22 173.29 2kh2 s LEU 134 N -3.36 4.20 0.06 -1.99 2.96 -1.26 -0.73 118.68 118.57 2kh2 s LEU 134 Ca 0.40 0.31 0.08 0.00 -0.22 0.00 0.00 54.13 54.70 2kh2 s LEU 134 Cb 0.02 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 2kh2 s LEU 134 CO 0.27 0.13 -0.23 -0.83 -1.32 0.00 0.00 176.35 174.37 2kh2 s GLY 135 N 0.52 1.27 -0.00 7.98 0.00 0.97 -4.86 107.32 113.19 2kh2 s GLY 135 Ca 0.11 -1.19 0.14 0.00 0.00 0.00 0.00 44.72 43.79 2kh2 s GLY 135 CO 0.01 -1.12 1.35 0.61 0.00 0.00 0.00 173.10 173.95 2kh2 n GLY 136 N 1.62 2.71 2.91 0.20 0.00 -1.26 -0.15 105.19 111.22 2kh2 n GLY 136 Ca -0.17 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 2kh2 n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kh2 n THR 137 N 0.85 2.66 -2.38 2.61 -2.24 -1.26 -4.87 114.28 109.64 2kh2 n THR 137 Ca 0.16 -5.13 -0.42 0.00 -2.27 0.00 0.00 64.05 56.39 2kh2 n THR 137 Cb 0.50 -2.25 -0.03 0.00 -2.10 0.00 0.00 70.33 66.46 2kh2 n THR 137 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kh2 s LYS 138 N -1.73 4.30 0.00 -0.78 2.20 -1.26 -3.02 119.74 119.45 2kh2 s LYS 138 Ca 0.29 1.75 0.00 0.00 -0.36 0.00 0.00 55.97 57.66 2kh2 s LYS 138 Cb -0.01 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 2kh2 s LYS 138 CO -0.10 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 174.75 2kh2 n GLY 139 N 3.51 0.97 0.00 5.54 0.00 -1.26 -5.08 105.19 108.88 2kh2 n GLY 139 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.05 2.82 0.12 -0.02 0.00 -1.17 -5.00 105.19 99.90 2kh2 n GLY 140 Ca 0.00 -1.73 -0.07 0.00 0.00 0.00 0.00 46.02 44.22 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 0.14 -6.32 1.61 7.50 -1.98 -3.43 115.11 112.62 2kh2 h GLN 141 Ca 0.00 -0.15 -0.55 0.00 0.50 0.00 0.00 58.65 58.45 2kh2 h GLN 141 Cb 0.00 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.55 2kh2 h GLN 141 CO 0.00 0.91 0.67 -0.51 -1.50 0.00 0.00 178.83 178.40 2kh2 s ASP 142 N -6.88 7.07 -0.19 1.46 1.01 -1.26 -4.49 116.67 113.39 2kh2 s ASP 142 Ca -0.02 1.80 -0.29 0.00 0.71 0.00 0.00 52.55 54.75 2kh2 s ASP 142 Cb 0.10 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.45 2kh2 s ASP 142 CO 0.82 -0.56 1.44 -0.63 0.21 0.00 0.00 175.17 176.45 2kh2 s ILE 143 N 2.10 3.96 -1.31 0.77 1.01 0.01 -4.48 121.20 123.25 2kh2 s ILE 143 Ca 0.55 1.12 0.14 0.00 0.00 0.00 0.00 60.65 62.46 2kh2 s ILE 143 Cb -0.24 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.38 2kh2 s ILE 143 CO 0.22 -0.25 0.78 0.35 0.00 0.00 0.00 174.94 176.05 2kh2 n THR 144 N 5.89 0.00 -4.47 2.92 -2.24 -1.26 -1.97 114.28 113.15 2kh2 n THR 144 Ca 0.16 -0.38 -0.31 0.00 -2.27 0.00 0.00 64.05 61.25 2kh2 n THR 144 Cb 0.45 1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 69.75 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 -1.61 4.32 0.26 3.42 -4.77 -1.26 -4.24 116.67 112.79 2kh2 s ASP 145 Ca 0.12 -0.28 0.02 0.00 -3.30 0.00 0.00 52.55 49.11 2kh2 s ASP 145 Cb 0.11 -0.88 -0.03 0.00 -1.09 0.00 0.00 42.92 41.02 2kh2 s ASP 145 CO 0.32 0.25 0.20 -0.36 0.70 0.00 0.00 175.17 176.28 2kh2 s PHE 146 N -1.02 1.39 -0.04 2.11 0.08 0.75 -3.94 117.98 117.31 2kh2 s PHE 146 Ca 0.17 -1.49 0.06 0.00 0.12 0.00 0.00 56.93 55.80 2kh2 s PHE 146 Cb -0.11 -0.60 -0.02 0.00 -0.57 0.00 0.00 43.02 41.72 2kh2 s PHE 146 CO 0.08 -0.75 -0.22 0.95 -0.10 0.00 0.00 175.22 175.18 2kh2 s THR 147 N -3.84 2.39 -0.14 0.64 -4.23 0.73 -1.20 115.64 109.99 2kh2 s THR 147 Ca 0.39 -0.97 -0.05 0.00 -1.18 0.00 0.00 61.69 59.88 2kh2 s THR 147 Cb 0.05 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 2kh2 s THR 147 CO 0.19 0.58 0.05 -0.32 -0.54 0.00 0.00 174.62 174.57 2kh2 s MET 148 N -0.53 3.54 -0.16 3.99 1.75 -1.26 -2.35 119.30 124.28 2kh2 s MET 148 Ca 0.07 -0.34 -0.00 0.00 -1.25 0.00 0.00 55.69 54.16 2kh2 s MET 148 Cb -0.11 -3.05 0.04 0.00 2.84 0.00 0.00 34.83 34.55 2kh2 s MET 148 CO 0.01 0.49 -0.05 -0.65 -0.65 0.00 0.00 175.02 174.17 2kh2 s GLN 149 N -0.27 1.44 0.19 4.11 1.11 -0.85 -4.95 119.66 120.43 2kh2 s GLN 149 Ca 0.08 -0.51 -0.30 0.00 0.01 0.00 0.00 55.36 54.64 2kh2 s GLN 149 Cb -0.12 -1.99 -0.08 0.00 -1.01 0.00 0.00 33.01 29.81 2kh2 s GLN 149 CO 0.02 -0.42 0.97 -0.06 0.01 0.00 0.00 175.29 175.81 2kh2 s PHE 150 N 1.64 3.86 0.35 0.91 0.08 -1.26 -0.46 117.98 123.09 2kh2 s PHE 150 Ca 0.01 1.83 0.01 0.00 0.12 0.00 0.00 56.93 58.90 2kh2 s PHE 150 Cb -0.15 -3.06 -0.01 0.00 -0.57 0.00 0.00 43.02 39.24 2kh2 s PHE 150 CO -0.08 0.19 0.05 1.33 -0.10 0.00 0.00 175.22 176.62 2kh2 n VAL 151 N 2.03 0.00 -1.62 -0.44 0.24 -1.06 -4.96 118.33 112.51 2kh2 n VAL 151 Ca 0.00 -1.82 -0.34 0.00 -2.04 0.00 0.00 64.34 60.14 2kh2 n VAL 151 Cb 0.48 0.49 0.02 0.00 -1.47 0.00 0.00 33.84 33.36 2kh2 n VAL 151 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2kh2 n SER 152 N -1.42 7.24 0.00 -1.34 7.64 -1.26 -4.77 113.62 119.71 2kh2 n SER 152 Ca -0.11 -3.62 0.00 0.00 1.01 0.00 0.00 58.87 56.15 2kh2 n SER 152 Cb 0.48 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83