#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 1.05 -5.42 0.00 0.11 -2.06 -3.42 132.00 122.25 2kh2 h PRO 2 Ca 0.00 -0.36 -0.67 0.00 0.11 0.00 0.00 66.00 65.08 2kh2 h PRO 2 Cb 0.00 -0.08 -0.29 0.00 0.11 0.00 0.00 31.00 30.74 2kh2 h PRO 2 CO 0.00 1.06 -0.81 0.54 -0.21 0.00 0.00 178.00 178.58 2kh2 s VAL 3 N -4.93 2.65 0.25 3.15 0.11 -1.26 -5.07 120.40 115.30 2kh2 s VAL 3 Ca -0.12 -0.81 -0.12 0.00 -2.93 0.00 0.00 61.98 58.00 2kh2 s VAL 3 Cb 0.13 -2.07 -0.08 0.00 -1.53 0.00 0.00 36.38 32.83 2kh2 s VAL 3 CO 0.86 0.54 0.62 -0.13 -3.33 0.00 0.00 175.10 173.67 2kh2 s ARG 4 N 0.26 3.91 -0.11 1.54 0.52 -1.26 -4.99 118.95 118.81 2kh2 s ARG 4 Ca -0.12 0.46 -0.15 0.00 -0.52 0.00 0.00 55.73 55.40 2kh2 s ARG 4 Cb -0.16 -2.61 0.04 0.00 0.52 0.00 0.00 34.95 32.74 2kh2 s ARG 4 CO 0.06 0.28 0.39 -1.12 0.02 0.00 0.00 175.30 174.93 2kh2 s SER 5 N -2.24 -0.36 0.13 0.23 0.01 -1.26 -2.36 113.70 107.85 2kh2 s SER 5 Ca 0.49 0.60 0.07 0.00 1.31 0.00 0.00 55.95 58.42 2kh2 s SER 5 Cb -0.11 0.66 -0.04 0.00 0.21 0.00 0.00 66.02 66.74 2kh2 s SER 5 CO 0.20 -0.25 -0.17 -0.76 0.41 0.00 0.00 173.24 172.67 2kh2 s LEU 6 N -0.28 2.38 -0.15 2.44 1.43 -0.94 -4.93 118.68 118.63 2kh2 s LEU 6 Ca -0.04 -0.79 -0.00 0.00 -1.03 0.00 0.00 54.13 52.27 2kh2 s LEU 6 Cb -0.03 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.44 2kh2 s LEU 6 CO 0.02 -0.04 -0.14 0.20 0.23 0.00 0.00 176.35 176.62 2kh2 s ASN 7 N -2.36 3.83 0.15 2.29 -0.87 -1.26 -0.05 114.94 116.67 2kh2 s ASN 7 Ca 0.10 -0.41 -0.17 0.00 -1.57 0.00 0.00 52.86 50.81 2kh2 s ASN 7 Cb -0.07 -1.59 0.03 0.00 -0.02 0.00 0.00 41.25 39.60 2kh2 s ASN 7 CO 0.05 0.10 0.45 0.00 -2.57 0.00 0.00 177.10 175.13 2kh2 s THR 9 N -3.83 4.50 -0.23 0.00 2.01 0.71 -0.64 115.64 118.15 2kh2 s THR 9 Ca 0.05 -0.23 -0.09 0.00 0.31 0.00 0.00 61.69 61.73 2kh2 s THR 9 Cb 0.01 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 2kh2 s THR 9 CO -0.09 0.56 0.12 -0.76 -0.69 0.00 0.00 174.62 173.77 2kh2 s LEU 10 N -1.04 3.93 -0.05 4.42 1.43 -1.26 -1.65 118.68 124.46 2kh2 s LEU 10 Ca 0.15 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 2kh2 s LEU 10 Cb -0.11 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.07 2kh2 s LEU 10 CO 0.04 0.07 -0.14 -0.13 0.23 0.00 0.00 176.35 176.42 2kh2 s ARG 11 N 1.03 1.63 0.67 1.70 0.52 -1.16 -3.70 118.95 119.64 2kh2 s ARG 11 Ca 0.06 -0.49 -0.11 0.00 -0.52 0.00 0.00 55.73 54.67 2kh2 s ARG 11 Cb -0.14 -1.39 0.16 0.00 0.52 0.00 0.00 34.95 34.10 2kh2 s ARG 11 CO 0.04 0.14 0.89 -0.40 0.02 0.00 0.00 175.30 175.99 2kh2 n ASP 12 N 3.43 -0.05 0.15 0.23 5.68 -1.00 0.16 116.55 125.15 2kh2 n ASP 12 Ca -0.20 -1.30 0.12 0.00 -0.50 0.00 0.00 54.79 52.91 2kh2 n ASP 12 Cb 0.53 -0.69 0.54 0.00 -1.14 0.00 0.00 41.12 40.36 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2kh2 n SER 13 N -3.63 0.65 -0.88 -1.12 7.64 -1.25 -0.87 113.62 114.16 2kh2 n SER 13 Ca 0.11 0.71 0.11 0.00 1.01 0.00 0.00 58.87 60.82 2kh2 n SER 13 Cb 0.39 -0.83 0.28 0.00 -1.01 0.00 0.00 64.21 63.04 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 -2.28 2.16 -1.40 1.43 1.13 -1.26 -4.92 117.38 112.24 2kh2 n GLN 14 Ca 0.01 -1.73 -0.11 0.00 -1.94 0.00 0.00 57.00 53.22 2kh2 n GLN 14 Cb 0.15 -1.46 -0.05 0.00 0.11 0.00 0.00 30.24 28.99 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 0.98 -0.80 -2.44 -1.09 1.13 -0.05 -4.97 117.38 110.14 2kh2 n GLN 15 Ca 0.17 0.87 -0.32 0.00 -1.94 0.00 0.00 57.00 55.79 2kh2 n GLN 15 Cb 0.49 -4.87 -0.04 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 -3.10 3.97 0.12 -1.09 1.02 -1.26 -4.30 119.74 115.09 2kh2 s LYS 16 Ca 0.00 0.96 0.10 0.00 0.02 0.00 0.00 55.97 57.05 2kh2 s LYS 16 Cb 0.00 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 2kh2 s LYS 16 CO 0.00 -0.25 -0.26 -1.12 -0.92 0.00 0.00 175.35 172.80 2kh2 s SER 17 N -3.01 3.16 -0.14 2.83 0.01 0.11 -2.36 113.70 114.30 2kh2 s SER 17 Ca 0.59 -0.72 -0.25 0.00 1.31 0.00 0.00 55.95 56.88 2kh2 s SER 17 Cb -0.10 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.90 2kh2 s SER 17 CO 0.30 0.17 0.79 -0.76 0.41 0.00 0.00 173.24 174.15 2kh2 s LEU 18 N -1.96 4.22 0.17 2.44 1.43 -1.24 -1.64 118.68 122.10 2kh2 s LEU 18 Ca 0.12 1.17 0.09 0.00 -1.03 0.00 0.00 54.13 54.49 2kh2 s LEU 18 Cb -0.10 -3.19 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 2kh2 s LEU 18 CO 0.05 -0.31 -0.19 0.68 0.23 0.00 0.00 176.35 176.81 2kh2 s VAL 19 N 1.74 1.91 -0.48 -1.59 -7.23 0.82 -2.97 120.40 112.60 2kh2 s VAL 19 Ca 0.38 -1.95 -0.27 0.00 -1.81 0.00 0.00 61.98 58.34 2kh2 s VAL 19 Cb -0.17 -1.89 0.03 0.00 0.56 0.00 0.00 36.38 34.91 2kh2 s VAL 19 CO 0.14 -0.29 1.01 -0.04 -0.31 0.00 0.00 175.10 175.61 2kh2 s MET 20 N -2.80 3.58 0.00 4.82 -1.94 -1.26 -1.18 119.30 120.52 2kh2 s MET 20 Ca 0.17 0.27 0.00 0.00 -1.71 0.00 0.00 55.69 54.42 2kh2 s MET 20 Cb -0.06 -3.93 0.00 0.00 2.01 0.00 0.00 34.83 32.85 2kh2 s MET 20 CO 0.07 -1.31 0.08 0.45 -0.01 0.00 0.00 175.02 174.30 2kh2 n SER 21 N 7.46 0.00 -0.32 3.03 2.88 0.17 -4.96 113.62 121.88 2kh2 n SER 21 Ca 0.08 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2kh2 n SER 21 Cb 0.49 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 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 2.02 3.57 0.18 0.46 0.00 -1.18 -4.95 105.19 105.29 2kh2 n GLY 22 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 0.08 -0.32 1.61 0.13 -2.04 -3.25 132.00 128.22 2kh2 h PRO 23 Ca 0.00 -0.04 -0.25 0.00 -0.87 0.00 0.00 66.00 64.84 2kh2 h PRO 23 Cb 0.00 -0.00 -0.31 0.00 0.13 0.00 0.00 31.00 30.82 2kh2 h PRO 23 CO 0.00 0.51 -0.88 0.66 -0.23 0.00 0.00 178.00 178.06 2kh2 n TYR 24 N -4.00 1.07 -4.05 1.56 4.02 -1.26 -5.06 117.16 109.44 2kh2 n TYR 24 Ca -0.02 -1.63 -0.16 0.00 -0.01 0.00 0.00 57.90 56.09 2kh2 n TYR 24 Cb 0.48 -0.25 -0.15 0.00 -0.02 0.00 0.00 39.34 39.41 2kh2 n TYR 24 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2kh2 s GLU 25 N -2.73 0.35 -0.04 -0.72 2.12 -1.23 -4.58 118.70 111.87 2kh2 s GLU 25 Ca 0.38 -0.08 0.05 0.00 0.36 0.00 0.00 54.97 55.68 2kh2 s GLU 25 Cb 0.37 -0.40 -0.01 0.00 0.26 0.00 0.00 34.13 34.36 2kh2 s GLU 25 CO -0.06 0.01 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.96 2kh2 s LEU 26 N 0.30 1.99 0.16 2.70 1.43 -1.26 -0.65 118.68 123.34 2kh2 s LEU 26 Ca -0.03 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.73 2kh2 s LEU 26 Cb -0.06 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 2kh2 s LEU 26 CO -0.01 0.21 -0.14 -0.54 0.23 0.00 0.00 176.35 176.10 2kh2 s LYS 27 N -0.16 1.15 -0.15 1.70 1.02 -0.33 -1.87 119.74 121.10 2kh2 s LYS 27 Ca -0.01 -1.41 0.01 0.00 0.02 0.00 0.00 55.97 54.58 2kh2 s LYS 27 Cb -0.11 -0.94 -0.00 0.00 -0.52 0.00 0.00 37.83 36.25 2kh2 s LYS 27 CO 0.02 0.16 -0.16 0.00 -0.92 0.00 0.00 175.35 174.45 2kh2 s ALA 28 N -2.66 2.45 0.15 5.17 0.00 0.39 -0.13 121.76 127.13 2kh2 s ALA 28 Ca 0.15 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 2kh2 s ALA 28 Cb -0.02 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 2kh2 s ALA 28 CO 0.04 -0.02 0.22 -0.48 0.00 0.00 0.00 175.76 175.52 2kh2 s LEU 29 N 0.80 1.18 -0.08 0.00 0.05 -0.65 -2.79 118.68 117.19 2kh2 s LEU 29 Ca -0.06 -0.95 -0.30 0.00 0.05 0.00 0.00 54.13 52.87 2kh2 s LEU 29 Cb -0.15 0.96 -0.03 0.00 -2.05 0.00 0.00 46.19 44.91 2kh2 s LEU 29 CO -0.00 -0.85 1.30 -1.00 -0.55 0.00 0.00 176.35 175.26 2kh2 s HIS 30 N -3.99 2.89 -0.26 3.48 3.76 -1.26 0.04 115.29 119.96 2kh2 s HIS 30 Ca 0.19 0.97 -0.07 0.00 -0.15 0.00 0.00 55.06 55.99 2kh2 s HIS 30 Cb 0.04 -3.55 -0.02 0.00 1.11 0.00 0.00 32.58 30.17 2kh2 s HIS 30 CO 0.00 -1.91 0.07 -1.17 -0.85 0.00 0.00 174.74 170.88 2kh2 s LEU 31 N 2.85 3.52 0.00 0.89 2.96 -1.26 -4.93 118.68 122.71 2kh2 s LEU 31 Ca 0.59 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 54.23 2kh2 s LEU 31 Cb -0.26 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 2kh2 s LEU 31 CO 0.21 -0.07 0.25 0.00 -1.32 0.00 0.00 176.35 175.42 2kh2 n GLN 32 N 4.91 0.37 0.00 1.98 6.02 -1.26 -5.00 117.38 124.40 2kh2 n GLN 32 Ca -0.16 -2.59 0.00 0.00 -0.01 0.00 0.00 57.00 54.25 2kh2 n GLN 32 Cb 0.51 2.18 0.00 0.00 1.02 0.00 0.00 30.24 33.94 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 -0.50 1.38 1.18 1.08 0.00 -1.26 -3.18 105.19 103.89 2kh2 n GLY 33 Ca 0.05 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.51 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 6.10 3.44 -0.21 1.61 -0.06 -1.26 -4.39 117.38 122.60 2kh2 n GLN 34 Ca 0.00 -2.75 0.04 0.00 -2.00 0.00 0.00 57.00 52.29 2kh2 n GLN 34 Cb 0.00 -1.81 0.14 0.00 -4.06 0.00 0.00 30.24 24.51 2kh2 n GLN 34 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2kh2 n ASP 35 N 0.30 1.98 0.14 1.69 9.92 -1.19 -4.18 116.55 125.20 2kh2 n ASP 35 Ca 0.22 -2.12 0.17 0.00 -0.53 0.00 0.00 54.79 52.53 2kh2 n ASP 35 Cb 0.85 -0.32 0.74 0.00 -0.64 0.00 0.00 41.12 41.76 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 2kh2 h MET 36 N 1.65 0.00 0.00 -1.24 4.05 -1.77 -1.78 114.93 115.85 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 0.62 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.42 2kh2 h MET 36 CO 0.06 0.00 0.02 0.39 0.23 0.00 0.00 176.91 177.61 2kh2 n GLU 37 N -4.12 0.09 0.00 0.39 -0.58 -1.26 -1.17 120.64 113.98 2kh2 n GLU 37 Ca 0.04 0.58 0.15 0.00 -0.42 0.00 0.00 57.16 57.51 2kh2 n GLU 37 Cb 0.40 -1.80 0.71 0.00 -0.57 0.00 0.00 31.44 30.18 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 -1.97 0.44 -2.22 3.49 6.02 -0.67 -4.87 117.38 117.61 2kh2 n GLN 38 Ca -0.01 -0.04 -0.37 0.00 -0.01 0.00 0.00 57.00 56.56 2kh2 n GLN 38 Cb 0.04 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.79 2kh2 n GLN 38 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2kh2 s GLN 39 N -2.59 3.73 -0.11 -1.09 -2.07 -0.32 -4.65 119.66 112.56 2kh2 s GLN 39 Ca 0.27 1.82 -0.04 0.00 -1.82 0.00 0.00 55.36 55.60 2kh2 s GLN 39 Cb 0.20 -2.42 -0.04 0.00 -1.09 0.00 0.00 33.01 29.67 2kh2 s GLN 39 CO 0.47 -0.59 0.04 0.08 -1.32 0.00 0.00 175.29 173.97 2kh2 s VAL 40 N -1.51 4.60 -0.15 3.63 1.01 -1.16 -5.04 120.40 121.78 2kh2 s VAL 40 Ca 0.64 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.41 2kh2 s VAL 40 Cb -0.30 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2kh2 s VAL 40 CO 0.36 0.59 0.10 -0.69 0.00 0.00 0.00 175.10 175.45 2kh2 s VAL 41 N -0.70 5.12 -0.14 2.92 1.01 -1.26 -4.58 120.40 122.76 2kh2 s VAL 41 Ca 0.12 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 2kh2 s VAL 41 Cb -0.12 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 2kh2 s VAL 41 CO 0.02 0.53 0.00 -0.36 0.00 0.00 0.00 175.10 175.30 2kh2 s PHE 42 N -0.29 3.13 -0.19 5.22 0.08 0.18 -0.48 117.98 125.63 2kh2 s PHE 42 Ca 0.10 -0.05 -0.18 0.00 0.12 0.00 0.00 56.93 56.92 2kh2 s PHE 42 Cb -0.12 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 2kh2 s PHE 42 CO 0.01 0.17 0.49 -1.12 -0.10 0.00 0.00 175.22 174.68 2kh2 s SER 43 N -0.00 6.55 -0.44 1.36 0.01 0.80 -1.96 113.70 120.01 2kh2 s SER 43 Ca 0.03 0.65 -0.17 0.00 1.31 0.00 0.00 55.95 57.78 2kh2 s SER 43 Cb -0.13 -2.28 0.04 0.00 0.21 0.00 0.00 66.02 63.86 2kh2 s SER 43 CO 0.02 -0.15 0.43 -0.04 0.41 0.00 0.00 173.24 173.91 2kh2 s MET 44 N 1.52 3.05 -0.07 12.44 -1.94 0.93 -2.64 119.30 132.59 2kh2 s MET 44 Ca 0.23 -0.94 -0.20 0.00 -1.71 0.00 0.00 55.69 53.07 2kh2 s MET 44 Cb -0.15 -4.02 -0.04 0.00 2.01 0.00 0.00 34.83 32.62 2kh2 s MET 44 CO 0.09 -0.92 0.55 -1.12 -0.01 0.00 0.00 175.02 173.62 2kh2 s SER 45 N 2.06 6.84 -0.88 3.03 0.01 -1.10 -2.22 113.70 121.44 2kh2 s SER 45 Ca 0.10 1.00 -0.24 0.00 1.31 0.00 0.00 55.95 58.11 2kh2 s SER 45 Cb -0.19 -2.33 0.05 0.00 0.21 0.00 0.00 66.02 63.76 2kh2 s SER 45 CO 0.11 0.02 1.33 -0.36 0.41 0.00 0.00 173.24 174.75 2kh2 s PHE 46 N 0.35 2.48 0.22 2.43 0.40 -1.00 -1.12 117.98 121.74 2kh2 s PHE 46 Ca 0.30 -0.55 -0.04 0.00 -0.60 0.00 0.00 56.93 56.04 2kh2 s PHE 46 Cb -0.17 -4.62 0.05 0.00 0.51 0.00 0.00 43.02 38.80 2kh2 s PHE 46 CO 0.14 -1.94 0.29 1.33 0.70 0.00 0.00 175.22 175.74 2kh2 n VAL 47 N 6.53 0.00 -4.05 -0.44 0.24 -1.22 -4.77 118.33 114.62 2kh2 n VAL 47 Ca 0.18 -0.21 -0.32 0.00 -2.04 0.00 0.00 64.34 61.95 2kh2 n VAL 47 Cb 0.50 -1.86 -0.15 0.00 -1.47 0.00 0.00 33.84 30.85 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 -3.64 2.03 0.00 7.34 2.00 -1.06 -4.93 119.66 121.40 2kh2 s GLN 48 Ca 0.17 -1.48 0.00 0.00 -2.00 0.00 0.00 55.36 52.04 2kh2 s GLN 48 Cb -0.00 -2.97 0.00 0.00 0.80 0.00 0.00 33.01 30.84 2kh2 s GLN 48 CO 0.12 -0.67 0.00 0.41 -0.50 0.00 0.00 175.29 174.65 2kh2 n GLY 49 N 4.39 3.06 3.56 2.59 0.00 -1.26 -4.97 105.19 112.55 2kh2 n GLY 49 Ca -0.09 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 2kh2 n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kh2 s GLU 50 N 4.17 2.68 -0.64 1.61 2.56 -1.26 -4.91 118.70 122.92 2kh2 s GLU 50 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 54.97 54.76 2kh2 s GLU 50 Cb 0.00 -4.90 0.17 0.00 2.00 0.00 0.00 34.13 31.40 2kh2 s GLU 50 CO 0.00 -3.08 0.49 -2.00 -0.56 0.00 0.00 175.26 170.10 2kh2 s GLU 51 N 6.80 2.75 0.00 4.30 2.12 -1.26 -3.87 118.70 129.54 2kh2 s GLU 51 Ca 0.66 -2.38 0.00 0.00 0.36 0.00 0.00 54.97 53.62 2kh2 s GLU 51 Cb -0.08 -3.90 0.00 0.00 0.26 0.00 0.00 34.13 30.41 2kh2 s GLU 51 CO 0.04 -1.20 0.00 -1.13 -0.54 0.00 0.00 175.26 172.43 2kh2 n SER 52 N 3.84 0.00 0.08 -1.70 3.41 -0.35 -5.01 113.62 113.89 2kh2 n SER 52 Ca 0.06 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.79 2kh2 n SER 52 Cb 0.40 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.00 0.76 0.00 4.04 2.85 -1.26 -4.47 115.26 117.18 2kh2 n ASN 53 Ca 0.00 0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.66 2kh2 n ASN 53 Cb 0.00 0.43 0.00 0.00 1.24 0.00 0.00 39.78 41.45 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2kh2 n ASP 54 N -2.40 4.11 -4.41 1.20 5.75 -1.26 -4.96 116.55 114.58 2kh2 n ASP 54 Ca 0.01 0.00 -0.44 0.00 -0.01 0.00 0.00 54.79 54.35 2kh2 n ASP 54 Cb 0.50 0.20 -0.07 0.00 -1.03 0.00 0.00 41.12 40.72 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 -1.93 3.03 -0.21 0.11 1.02 -1.26 -2.14 119.74 118.36 2kh2 s LYS 55 Ca 0.00 -1.18 -0.05 0.00 0.02 0.00 0.00 55.97 54.76 2kh2 s LYS 55 Cb 0.00 -4.12 -0.02 0.00 -0.52 0.00 0.00 37.83 33.17 2kh2 s LYS 55 CO 0.00 -1.11 -0.00 0.42 -0.92 0.00 0.00 175.35 173.74 2kh2 s ILE 56 N 2.03 3.83 -0.27 2.17 -1.09 0.14 -1.21 121.20 126.80 2kh2 s ILE 56 Ca 0.08 -0.35 -0.29 0.00 -2.23 0.00 0.00 60.65 57.87 2kh2 s ILE 56 Cb -0.22 -2.74 0.01 0.00 -1.58 0.00 0.00 42.46 37.92 2kh2 s ILE 56 CO 0.09 0.41 1.06 -2.16 -1.23 0.00 0.00 174.94 173.11 2kh2 s PRO 57 N 1.24 4.17 0.09 2.79 0.04 -1.25 0.01 135.00 142.10 2kh2 s PRO 57 Ca 0.03 1.24 -0.01 0.00 0.04 0.00 0.00 61.00 62.31 2kh2 s PRO 57 Cb -0.15 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.67 2kh2 s PRO 57 CO 0.01 -0.75 0.01 0.14 0.04 0.00 0.00 177.00 176.45 2kh2 s VAL 58 N 3.42 0.18 0.13 -0.36 -7.23 0.36 -3.38 120.40 113.51 2kh2 s VAL 58 Ca 0.45 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.78 2kh2 s VAL 58 Cb -0.14 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 2kh2 s VAL 58 CO 0.10 -0.72 0.20 0.00 -0.31 0.00 0.00 175.10 174.38 2kh2 s ALA 59 N -3.97 3.82 -0.29 1.32 0.00 -0.27 -0.74 121.76 121.62 2kh2 s ALA 59 Ca 0.16 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.10 2kh2 s ALA 59 Cb 0.08 -1.63 0.08 0.00 0.00 0.00 0.00 23.12 21.64 2kh2 s ALA 59 CO -0.04 0.61 -0.01 -0.51 0.00 0.00 0.00 175.76 175.81 2kh2 s LEU 60 N -2.95 3.47 0.19 0.00 1.43 -1.26 -2.70 118.68 116.86 2kh2 s LEU 60 Ca 0.33 -1.62 0.07 0.00 -1.03 0.00 0.00 54.13 51.88 2kh2 s LEU 60 Cb -0.11 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 2kh2 s LEU 60 CO 0.26 -0.30 -0.13 -0.83 0.23 0.00 0.00 176.35 175.58 2kh2 s GLY 61 N 1.19 1.32 0.25 -3.19 0.00 -1.08 -1.10 107.32 104.72 2kh2 s GLY 61 Ca 0.01 -1.61 -0.30 0.00 0.00 0.00 0.00 44.72 42.82 2kh2 s GLY 61 CO -0.09 -1.71 1.04 1.08 0.00 0.00 0.00 173.10 173.42 2kh2 s LEU 62 N -3.27 4.58 -0.32 0.66 1.02 -0.46 -0.14 118.68 120.75 2kh2 s LEU 62 Ca 0.21 2.13 -0.37 0.00 0.02 0.00 0.00 54.13 56.12 2kh2 s LEU 62 Cb 0.00 -3.62 -0.13 0.00 0.02 0.00 0.00 46.19 42.47 2kh2 s LEU 62 CO 0.05 -0.03 2.05 1.17 0.02 0.00 0.00 176.35 179.61 2kh2 n LYS 63 N 1.43 1.13 -3.19 1.70 4.81 0.37 -1.18 118.16 123.22 2kh2 n LYS 63 Ca -0.01 0.35 -0.23 0.00 -0.87 0.00 0.00 58.31 57.55 2kh2 n LYS 63 Cb 0.46 -2.33 0.03 0.00 0.02 0.00 0.00 35.03 33.20 2kh2 n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2kh2 n GLU 64 N 7.36 -4.70 -4.22 1.64 1.02 -1.26 -4.99 120.64 115.49 2kh2 n GLU 64 Ca 0.37 0.77 -0.15 0.00 -0.02 0.00 0.00 57.16 58.13 2kh2 n GLU 64 Cb 0.19 -5.60 -0.10 0.00 -0.02 0.00 0.00 31.44 25.91 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2kh2 s LYS 65 N -5.87 0.96 -0.23 3.49 1.02 -0.33 -5.04 119.74 113.74 2kh2 s LYS 65 Ca 0.37 -1.30 0.06 0.00 0.02 0.00 0.00 55.97 55.11 2kh2 s LYS 65 Cb -0.17 -0.61 0.51 0.00 -0.52 0.00 0.00 37.83 37.03 2kh2 s LYS 65 CO 0.45 0.09 1.49 0.27 -0.92 0.00 0.00 175.35 176.73 2kh2 n ASN 66 N 0.20 3.88 -4.43 2.83 6.94 -1.26 -4.47 115.26 118.95 2kh2 n ASN 66 Ca -0.13 -2.86 -0.36 0.00 -0.02 0.00 0.00 54.58 51.20 2kh2 n ASN 66 Cb 0.59 -0.68 -0.13 0.00 -2.36 0.00 0.00 39.78 37.20 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 -2.06 3.35 0.11 -4.53 1.43 -1.26 -1.15 118.68 114.56 2kh2 s LEU 67 Ca 0.38 -0.22 0.09 0.00 -1.03 0.00 0.00 54.13 53.35 2kh2 s LEU 67 Cb 0.31 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 2kh2 s LEU 67 CO 0.09 -0.01 -0.22 -0.31 0.23 0.00 0.00 176.35 176.13 2kh2 s TYR 68 N 1.46 1.92 -0.05 0.29 1.51 -0.81 -1.35 117.35 120.32 2kh2 s TYR 68 Ca 0.05 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.41 2kh2 s TYR 68 Cb -0.15 -1.05 -0.03 0.00 -0.11 0.00 0.00 41.96 40.63 2kh2 s TYR 68 CO 0.02 0.24 1.07 -0.51 -1.11 0.00 0.00 175.55 175.26 2kh2 s LEU 69 N -1.93 4.29 0.04 -1.29 1.43 -0.26 -1.02 118.68 119.94 2kh2 s LEU 69 Ca 0.08 1.68 0.06 0.00 -1.03 0.00 0.00 54.13 54.91 2kh2 s LEU 69 Cb -0.10 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 2kh2 s LEU 69 CO 0.05 -0.44 -0.16 -0.55 0.23 0.00 0.00 176.35 175.47 2kh2 s SER 70 N 1.16 1.92 -0.28 2.29 0.15 0.52 -4.52 113.70 114.95 2kh2 s SER 70 Ca 0.52 -0.47 -0.07 0.00 0.70 0.00 0.00 55.95 56.64 2kh2 s SER 70 Cb -0.21 -0.14 -0.00 0.00 -1.71 0.00 0.00 66.02 63.95 2kh2 s SER 70 CO 0.22 0.08 0.07 0.00 1.20 0.00 0.00 173.24 174.81 2kh2 s VAL 72 N 1.52 0.60 -0.34 0.00 -7.23 -0.49 -4.78 120.40 109.69 2kh2 s VAL 72 Ca 0.04 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 58.05 2kh2 s VAL 72 Cb -0.16 -2.35 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 2kh2 s VAL 72 CO 0.02 -0.26 0.44 -0.76 -0.31 0.00 0.00 175.10 174.23 2kh2 s LEU 73 N -3.23 4.35 -0.12 1.32 1.43 -1.26 0.45 118.68 121.61 2kh2 s LEU 73 Ca 0.30 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 2kh2 s LEU 73 Cb 0.07 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.83 2kh2 s LEU 73 CO 0.08 -0.39 -0.11 -0.54 0.23 0.00 0.00 176.35 175.62 2kh2 s LYS 74 N 2.21 1.90 -1.16 1.70 1.02 -0.33 -4.72 119.74 120.37 2kh2 s LYS 74 Ca 0.16 -0.41 -0.02 0.00 0.02 0.00 0.00 55.97 55.72 2kh2 s LYS 74 Cb -0.16 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 2kh2 s LYS 74 CO 0.12 -0.21 0.98 -3.47 -0.92 0.00 0.00 175.35 171.85 2kh2 n ASP 75 N 4.72 -3.06 -3.03 2.83 -0.08 -1.26 -2.68 116.55 113.99 2kh2 n ASP 75 Ca -0.16 -0.56 -0.21 0.00 -1.51 0.00 0.00 54.79 52.36 2kh2 n ASP 75 Cb 0.50 -4.80 0.01 0.00 2.34 0.00 0.00 41.12 39.17 2kh2 n ASP 75 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kh2 n ASP 76 N -2.92 -4.62 -3.70 1.67 9.92 -1.26 -4.97 116.55 110.66 2kh2 n ASP 76 Ca -0.20 -0.22 -0.11 0.00 -0.53 0.00 0.00 54.79 53.73 2kh2 n ASP 76 Cb 0.63 -3.81 -0.11 0.00 -0.64 0.00 0.00 41.12 37.20 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 -5.67 0.39 0.00 -1.24 2.47 -1.09 -5.12 119.74 109.47 2kh2 s LYS 77 Ca 0.27 0.76 -0.32 0.00 -1.56 0.00 0.00 55.97 55.12 2kh2 s LYS 77 Cb -0.13 -0.01 -0.10 0.00 -1.46 0.00 0.00 37.83 36.13 2kh2 s LYS 77 CO 0.33 -0.15 1.92 -2.30 0.16 0.00 0.00 175.35 175.32 2kh2 n PRO 78 N 4.13 2.61 -4.34 4.03 -0.02 -1.26 -1.18 135.00 138.97 2kh2 n PRO 78 Ca -0.23 0.96 -0.20 0.00 -2.02 0.00 0.00 63.50 62.01 2kh2 n PRO 78 Cb 0.55 -2.86 -0.13 0.00 -0.02 0.00 0.00 33.50 31.04 2kh2 n PRO 78 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2kh2 s THR 79 N 4.10 1.16 0.09 3.45 2.01 0.17 -4.65 115.64 121.97 2kh2 s THR 79 Ca 0.89 -1.07 -0.20 0.00 0.31 0.00 0.00 61.69 61.63 2kh2 s THR 79 Cb -0.53 -1.05 -0.07 0.00 0.01 0.00 0.00 72.50 70.85 2kh2 s THR 79 CO 0.45 -0.02 0.60 -0.22 -0.69 0.00 0.00 174.62 174.74 2kh2 s LEU 80 N -1.24 4.52 0.19 4.42 2.96 -1.26 -1.39 118.68 126.87 2kh2 s LEU 80 Ca 0.01 1.31 -0.07 0.00 -0.22 0.00 0.00 54.13 55.17 2kh2 s LEU 80 Cb -0.08 -2.99 -0.02 0.00 0.50 0.00 0.00 46.19 43.59 2kh2 s LEU 80 CO 0.01 0.25 0.26 0.00 -1.32 0.00 0.00 176.35 175.56 2kh2 s GLN 81 N -1.19 1.23 -0.28 1.98 -2.07 0.61 -4.90 119.66 115.05 2kh2 s GLN 81 Ca 0.31 -1.34 -0.08 0.00 -1.82 0.00 0.00 55.36 52.43 2kh2 s GLN 81 Cb -0.20 0.36 -0.02 0.00 -1.09 0.00 0.00 33.01 32.06 2kh2 s GLN 81 CO 0.20 -0.45 0.11 -0.51 -1.32 0.00 0.00 175.29 173.33 2kh2 s LEU 82 N -3.04 3.78 -0.15 2.60 2.01 -1.26 -0.36 118.68 122.26 2kh2 s LEU 82 Ca 0.25 -0.36 -0.05 0.00 0.01 0.00 0.00 54.13 53.98 2kh2 s LEU 82 Cb 0.04 -1.97 -0.03 0.00 0.01 0.00 0.00 46.19 44.24 2kh2 s LEU 82 CO 0.05 -0.11 0.01 -1.61 1.01 0.00 0.00 176.35 175.70 2kh2 s GLU 83 N 1.62 3.68 -0.78 1.70 2.02 -0.19 -4.92 118.70 121.84 2kh2 s GLU 83 Ca 0.05 -0.42 -0.24 0.00 0.02 0.00 0.00 54.97 54.38 2kh2 s GLU 83 Cb -0.16 -3.02 0.06 0.00 0.10 0.00 0.00 34.13 31.11 2kh2 s GLU 83 CO 0.05 0.34 1.19 -1.12 0.02 0.00 0.00 175.26 175.74 2kh2 s SER 84 N 0.13 6.26 0.34 -0.19 0.01 -1.26 -1.92 113.70 117.07 2kh2 s SER 84 Ca 0.02 -0.93 -0.12 0.00 1.31 0.00 0.00 55.95 56.23 2kh2 s SER 84 Cb -0.13 -2.50 -0.08 0.00 0.21 0.00 0.00 66.02 63.52 2kh2 s SER 84 CO 0.02 -1.59 0.72 0.68 0.41 0.00 0.00 173.24 173.47 2kh2 s VAL 85 N 4.80 4.76 0.06 3.43 -7.23 -0.30 -5.00 120.40 120.91 2kh2 s VAL 85 Ca 0.32 0.74 -0.33 0.00 -1.81 0.00 0.00 61.98 60.91 2kh2 s VAL 85 Cb -0.09 -3.65 -0.12 0.00 0.56 0.00 0.00 36.38 33.08 2kh2 s VAL 85 CO 0.07 -0.29 1.80 -0.67 -0.31 0.00 0.00 175.10 175.71 2kh2 n ASP 86 N -0.67 3.64 0.28 4.85 2.03 -1.26 -4.81 116.55 120.61 2kh2 n ASP 86 Ca 0.03 1.00 0.19 0.00 0.52 0.00 0.00 54.79 56.52 2kh2 n ASP 86 Cb 0.53 -1.46 0.93 0.00 -0.72 0.00 0.00 41.12 40.40 2kh2 n ASP 86 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2kh2 h PRO 87 N 8.33 0.00 0.00 -0.67 0.13 -1.93 -1.84 132.00 136.03 2kh2 h PRO 87 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kh2 h PRO 87 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kh2 h PRO 87 CO 0.93 0.00 -1.62 0.36 -0.23 0.00 0.00 178.00 177.44 2kh2 n LYS 88 N -2.86 0.52 0.00 0.86 2.85 -1.26 -4.42 118.16 113.85 2kh2 n LYS 88 Ca -0.01 -0.13 0.13 0.00 -1.05 0.00 0.00 58.31 57.24 2kh2 n LYS 88 Cb 0.13 -1.34 0.24 0.00 -0.65 0.00 0.00 35.03 33.41 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 -1.97 2.40 -4.05 -5.58 3.02 -1.02 -4.92 115.26 103.15 2kh2 n ASN 89 Ca -0.02 -1.78 -0.11 0.00 -0.03 0.00 0.00 54.58 52.64 2kh2 n ASN 89 Cb 0.37 0.03 -0.11 0.00 -0.61 0.00 0.00 39.78 39.46 2kh2 n ASN 89 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2kh2 s TYR 90 N -2.05 0.55 0.59 3.10 1.51 -0.72 -4.64 117.35 115.69 2kh2 s TYR 90 Ca 0.30 -0.57 -0.04 0.00 -1.01 0.00 0.00 57.07 55.75 2kh2 s TYR 90 Cb 0.20 -0.34 0.12 0.00 -0.11 0.00 0.00 41.96 41.83 2kh2 s TYR 90 CO 0.34 -0.14 0.80 -0.35 -1.11 0.00 0.00 175.55 175.09 2kh2 n PRO 91 N 1.32 -0.26 -3.96 -1.71 -0.04 -1.26 -4.77 135.00 124.32 2kh2 n PRO 91 Ca -0.22 -1.80 -0.09 0.00 -0.04 0.00 0.00 63.50 61.34 2kh2 n PRO 91 Cb 0.56 -0.65 -0.08 0.00 -0.04 0.00 0.00 33.50 33.29 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 -4.61 1.01 0.08 0.54 -2.85 -1.26 -5.06 119.74 107.59 2kh2 s LYS 92 Ca 0.50 -1.14 -0.20 0.00 -1.00 0.00 0.00 55.97 54.13 2kh2 s LYS 92 Cb -0.02 0.34 -0.09 0.00 -2.06 0.00 0.00 37.83 36.00 2kh2 s LYS 92 CO 0.34 -0.34 1.56 -0.22 0.10 0.00 0.00 175.35 176.79 2kh2 h LYS 93 N 2.67 0.34 -3.68 1.78 3.11 -1.98 -3.35 116.57 115.47 2kh2 h LYS 93 Ca -0.33 -0.09 -0.76 0.00 -2.81 0.00 0.00 60.65 56.66 2kh2 h LYS 93 Cb 1.21 -0.04 -0.30 0.00 -1.00 0.00 0.00 32.23 32.10 2kh2 h LYS 93 CO 0.53 0.48 -0.00 0.21 -2.81 0.00 0.00 179.45 177.86 2kh2 s LYS 94 N -5.20 3.37 0.65 1.90 2.47 -1.26 -2.57 119.74 119.09 2kh2 s LYS 94 Ca -0.14 -2.65 -0.08 0.00 -1.56 0.00 0.00 55.97 51.54 2kh2 s LYS 94 Cb 0.07 -4.21 0.01 0.00 -1.46 0.00 0.00 37.83 32.24 2kh2 s LYS 94 CO 0.72 -1.25 0.99 -1.64 0.16 0.00 0.00 175.35 174.33 2kh2 s MET 95 N -0.22 2.85 0.59 4.03 -1.94 -1.26 -5.03 119.30 118.33 2kh2 s MET 95 Ca 0.20 0.17 -0.20 0.00 -1.71 0.00 0.00 55.69 54.16 2kh2 s MET 95 Cb -0.13 -2.16 -0.03 0.00 2.01 0.00 0.00 34.83 34.52 2kh2 s MET 95 CO -0.08 -0.87 1.30 -1.21 -0.01 0.00 0.00 175.02 174.15 2kh2 s GLU 96 N -5.16 2.88 0.63 2.03 8.01 -1.26 -4.85 118.70 120.97 2kh2 s GLU 96 Ca 0.56 2.09 0.42 0.00 0.01 0.00 0.00 54.97 58.05 2kh2 s GLU 96 Cb -0.11 -2.03 2.24 0.00 -4.31 0.00 0.00 34.13 29.92 2kh2 s GLU 96 CO 0.48 -1.35 2.28 -0.22 0.01 0.00 0.00 175.26 176.46 2kh2 h LYS 97 N 0.99 0.00 0.00 1.61 3.64 -1.95 0.59 116.57 121.45 2kh2 h LYS 97 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2kh2 h LYS 97 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 2kh2 h LYS 97 CO 0.55 0.00 0.00 2.89 -2.27 0.00 0.00 179.45 180.62 2kh2 n ARG 98 N -3.01 0.14 -0.04 1.90 1.85 -1.26 -2.76 116.66 113.48 2kh2 n ARG 98 Ca -0.03 0.21 0.04 0.00 -1.00 0.00 0.00 57.85 57.08 2kh2 n ARG 98 Cb 0.09 -1.70 0.06 0.00 -1.05 0.00 0.00 32.46 29.86 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 -1.95 0.11 -3.38 2.89 3.72 0.18 -1.42 117.46 117.61 2kh2 n PHE 99 Ca 0.05 -0.15 -0.40 0.00 -0.05 0.00 0.00 57.45 56.90 2kh2 n PHE 99 Cb 0.33 -0.01 -0.09 0.00 -0.94 0.00 0.00 39.48 38.77 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 -0.80 5.15 0.04 -4.37 1.01 -1.09 -4.16 120.40 116.20 2kh2 s VAL 100 Ca 0.12 0.41 0.05 0.00 0.00 0.00 0.00 61.98 62.56 2kh2 s VAL 100 Cb 0.08 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2kh2 s VAL 100 CO 0.11 0.05 -0.08 -0.36 0.00 0.00 0.00 175.10 174.82 2kh2 s PHE 101 N 2.09 2.83 -0.49 5.22 0.08 0.08 -2.50 117.98 125.30 2kh2 s PHE 101 Ca 0.15 -0.09 -0.12 0.00 0.12 0.00 0.00 56.93 56.99 2kh2 s PHE 101 Cb -0.16 -1.54 0.12 0.00 -0.57 0.00 0.00 43.02 40.87 2kh2 s PHE 101 CO 0.11 0.39 0.40 1.21 -0.10 0.00 0.00 175.22 177.22 2kh2 s ASN 102 N -1.74 5.90 -0.56 1.36 3.04 0.25 -0.49 114.94 122.70 2kh2 s ASN 102 Ca 0.19 -1.79 -0.28 0.00 0.04 0.00 0.00 52.86 51.02 2kh2 s ASN 102 Cb -0.11 -2.09 0.02 0.00 -1.54 0.00 0.00 41.25 37.53 2kh2 s ASN 102 CO 0.10 -0.74 1.27 -0.75 -3.04 0.00 0.00 177.10 173.95 2kh2 s LYS 103 N 1.47 3.47 0.03 0.43 2.20 0.10 -1.21 119.74 126.23 2kh2 s LYS 103 Ca 0.04 0.38 -0.13 0.00 -0.36 0.00 0.00 55.97 55.91 2kh2 s LYS 103 Cb -0.27 -4.04 -0.06 0.00 -1.51 0.00 0.00 37.83 31.95 2kh2 s LYS 103 CO 0.01 -1.73 0.41 0.42 -0.36 0.00 0.00 175.35 174.10 2kh2 s ILE 104 N 5.28 5.05 -0.36 5.43 1.01 0.66 -0.68 121.20 137.58 2kh2 s ILE 104 Ca 0.47 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.83 2kh2 s ILE 104 Cb -0.09 -3.68 0.12 0.00 0.01 0.00 0.00 42.46 38.81 2kh2 s ILE 104 CO 0.26 0.47 0.16 -1.61 0.00 0.00 0.00 174.94 174.22 2kh2 s GLU 105 N -1.40 0.92 0.00 2.79 2.02 -0.91 -0.33 118.70 121.79 2kh2 s GLU 105 Ca 0.27 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 53.82 2kh2 s GLU 105 Cb -0.16 -2.07 0.00 0.00 0.10 0.00 0.00 34.13 32.00 2kh2 s GLU 105 CO 0.15 -1.07 0.24 0.44 0.02 0.00 0.00 175.26 175.04 2kh2 n ILE 106 N 4.29 0.00 0.00 -1.63 -5.35 -1.06 -4.89 119.36 110.72 2kh2 n ILE 106 Ca 0.03 0.60 0.00 0.00 -0.27 0.00 0.00 62.75 63.11 2kh2 n ILE 106 Cb 0.39 -1.32 0.00 0.00 -1.74 0.00 0.00 39.64 36.97 2kh2 n ILE 106 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2kh2 n ASN 107 N -0.33 0.00 0.00 7.28 6.94 -1.26 -4.92 115.26 122.98 2kh2 n ASN 107 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2kh2 n ASN 107 Cb 0.00 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 2kh2 n ASN 107 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2kh2 n ASN 108 N -1.44 1.01 -4.58 0.53 0.23 -1.26 -5.01 115.26 104.74 2kh2 n ASN 108 Ca 0.00 -1.10 -0.34 0.00 -0.53 0.00 0.00 54.58 52.61 2kh2 n ASN 108 Cb 0.00 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.59 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2kh2 s LYS 109 N -0.10 3.53 -0.10 -3.83 -0.14 -1.26 -4.80 119.74 113.05 2kh2 s LYS 109 Ca 0.00 -0.46 0.01 0.00 -1.36 0.00 0.00 55.97 54.16 2kh2 s LYS 109 Cb 0.00 -2.93 -0.02 0.00 -1.68 0.00 0.00 37.83 33.19 2kh2 s LYS 109 CO 0.00 0.38 -0.11 -0.48 -0.76 0.00 0.00 175.35 174.38 2kh2 s LEU 110 N 0.00 2.87 0.10 3.17 2.34 -0.28 -2.56 118.68 124.31 2kh2 s LEU 110 Ca 0.02 -0.21 0.07 0.00 0.06 0.00 0.00 54.13 54.08 2kh2 s LEU 110 Cb -0.13 -1.63 -0.04 0.00 -0.56 0.00 0.00 46.19 43.83 2kh2 s LEU 110 CO 0.02 0.26 -0.11 -1.61 -1.06 0.00 0.00 176.35 173.85 2kh2 s GLU 111 N -0.20 2.09 -0.39 1.48 2.02 0.55 -0.17 118.70 124.08 2kh2 s GLU 111 Ca 0.01 -1.04 -0.04 0.00 0.02 0.00 0.00 54.97 53.92 2kh2 s GLU 111 Cb -0.13 -2.28 0.09 0.00 0.10 0.00 0.00 34.13 31.91 2kh2 s GLU 111 CO 0.03 0.51 0.18 -0.06 0.02 0.00 0.00 175.26 175.94 2kh2 s PHE 112 N -1.20 3.47 0.07 1.61 0.08 -1.26 -0.25 117.98 120.51 2kh2 s PHE 112 Ca 0.21 -2.11 -0.09 0.00 0.12 0.00 0.00 56.93 55.06 2kh2 s PHE 112 Cb -0.11 -2.97 -0.06 0.00 -0.57 0.00 0.00 43.02 39.31 2kh2 s PHE 112 CO 0.13 -0.92 0.37 -2.00 -0.10 0.00 0.00 175.22 172.71 2kh2 s GLU 113 N 1.23 3.71 -0.09 0.44 2.12 -0.35 -1.67 118.70 124.09 2kh2 s GLU 113 Ca 0.05 0.10 -0.27 0.00 0.36 0.00 0.00 54.97 55.22 2kh2 s GLU 113 Cb -0.22 -3.00 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 2kh2 s GLU 113 CO -0.02 0.57 0.85 0.45 -0.54 0.00 0.00 175.26 176.57 2kh2 s SER 114 N -1.82 7.11 0.21 -1.70 0.15 -0.02 0.84 113.70 118.47 2kh2 s SER 114 Ca 0.33 1.35 -0.06 0.00 0.70 0.00 0.00 55.95 58.27 2kh2 s SER 114 Cb -0.14 -2.49 0.17 0.00 -1.71 0.00 0.00 66.02 61.86 2kh2 s SER 114 CO 0.18 -0.28 1.68 0.00 1.20 0.00 0.00 173.24 176.02 2kh2 h ALA 115 N 6.99 0.93 -0.05 5.45 0.00 -1.74 -2.74 119.26 128.10 2kh2 h ALA 115 Ca -0.36 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.11 2kh2 h ALA 115 Cb 1.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2kh2 h ALA 115 CO 0.79 0.64 -0.57 0.37 0.00 0.00 0.00 179.25 180.48 2kh2 h GLN 116 N 0.88 0.17 -3.38 0.00 4.15 -1.79 -3.38 115.11 111.75 2kh2 h GLN 116 Ca 0.16 -0.11 -0.62 0.00 0.77 0.00 0.00 58.65 58.85 2kh2 h GLN 116 Cb 0.54 0.01 -0.40 0.00 0.21 0.00 0.00 27.48 27.84 2kh2 h GLN 116 CO 0.03 0.69 -0.70 -0.06 -1.93 0.00 0.00 178.83 176.86 2kh2 s PHE 117 N -3.79 2.60 0.39 3.99 0.08 -1.04 -5.11 117.98 115.09 2kh2 s PHE 117 Ca -0.03 -2.70 -0.27 0.00 0.12 0.00 0.00 56.93 54.04 2kh2 s PHE 117 Cb 0.12 -2.33 -0.10 0.00 -0.57 0.00 0.00 43.02 40.14 2kh2 s PHE 117 CO 0.78 -0.80 1.44 -2.14 -0.10 0.00 0.00 175.22 174.41 2kh2 s PRO 118 N 0.30 4.04 0.00 0.24 0.02 -1.17 -2.22 135.00 136.20 2kh2 s PRO 118 Ca 0.16 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.65 2kh2 s PRO 118 Cb -0.24 -2.90 0.00 0.00 0.02 0.00 0.00 34.50 31.38 2kh2 s PRO 118 CO -0.03 -0.55 0.00 0.09 -0.33 0.00 0.00 177.00 176.18 2kh2 n ASN 119 N 0.33 -1.63 -4.32 2.53 5.03 -1.26 -4.98 115.26 110.96 2kh2 n ASN 119 Ca 0.02 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.07 2kh2 n ASN 119 Cb 0.40 -0.94 -0.11 0.00 -1.02 0.00 0.00 39.78 38.12 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 -2.57 3.27 0.16 3.10 0.52 -0.94 -4.43 118.94 118.05 2kh2 s TRP 120 Ca 0.00 -1.22 0.07 0.00 0.02 0.00 0.00 56.10 54.97 2kh2 s TRP 120 Cb 0.00 -2.52 -0.04 0.00 -1.15 0.00 0.00 33.47 29.76 2kh2 s TRP 120 CO 0.00 -0.72 0.02 0.71 0.02 0.00 0.00 176.95 176.98 2kh2 s TYR 121 N 1.48 2.90 -0.19 -1.98 1.51 0.07 -0.84 117.35 120.31 2kh2 s TYR 121 Ca 0.01 -0.11 -0.29 0.00 -1.01 0.00 0.00 57.07 55.68 2kh2 s TYR 121 Cb -0.20 -1.41 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 2kh2 s TYR 121 CO 0.05 0.51 1.89 0.42 -1.11 0.00 0.00 175.55 177.31 2kh2 s ILE 122 N -1.68 3.32 0.16 2.71 1.01 -0.67 -0.94 121.20 125.12 2kh2 s ILE 122 Ca 0.28 0.36 0.07 0.00 0.00 0.00 0.00 60.65 61.35 2kh2 s ILE 122 Cb -0.10 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 2kh2 s ILE 122 CO 0.19 -0.17 -0.01 -0.44 0.00 0.00 0.00 174.94 174.51 2kh2 s SER 123 N 5.81 4.75 0.06 3.58 0.01 0.61 -4.40 113.70 124.12 2kh2 s SER 123 Ca 0.85 -0.37 0.04 0.00 1.31 0.00 0.00 55.95 57.77 2kh2 s SER 123 Cb -0.30 -1.01 -0.03 0.00 0.21 0.00 0.00 66.02 64.89 2kh2 s SER 123 CO 0.34 0.11 -0.11 0.42 0.41 0.00 0.00 173.24 174.41 2kh2 s THR 124 N -1.62 0.82 0.63 1.44 -4.23 -0.61 -2.35 115.64 109.72 2kh2 s THR 124 Ca 0.26 -1.24 -0.07 0.00 -1.18 0.00 0.00 61.69 59.46 2kh2 s THR 124 Cb -0.10 -0.89 0.02 0.00 1.34 0.00 0.00 72.50 72.87 2kh2 s THR 124 CO 0.18 -0.34 0.97 -0.44 -0.54 0.00 0.00 174.62 174.44 2kh2 s SER 125 N -1.75 5.46 0.16 3.99 0.01 -1.26 -0.55 113.70 119.76 2kh2 s SER 125 Ca -0.05 0.80 0.05 0.00 1.31 0.00 0.00 55.95 58.06 2kh2 s SER 125 Cb -0.09 -1.70 -0.03 0.00 0.21 0.00 0.00 66.02 64.40 2kh2 s SER 125 CO 0.01 -1.20 1.37 1.56 0.41 0.00 0.00 173.24 175.39 2kh2 h GLN 126 N -0.35 0.09 -7.24 12.44 1.08 -1.97 -3.46 115.11 115.70 2kh2 h GLN 126 Ca -0.45 -0.11 -0.50 0.00 -1.45 0.00 0.00 58.65 56.14 2kh2 h GLN 126 Cb 1.26 0.03 0.20 0.00 -0.05 0.00 0.00 27.48 28.93 2kh2 h GLN 126 CO 0.62 0.93 0.18 0.00 -0.95 0.00 0.00 178.83 179.60 2kh2 s ALA 127 N -3.05 1.03 0.10 3.87 0.00 -1.26 -5.01 121.76 117.43 2kh2 s ALA 127 Ca -0.01 0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.26 2kh2 s ALA 127 Cb 0.10 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 2kh2 s ALA 127 CO 0.82 -3.00 0.44 -2.00 0.00 0.00 0.00 175.76 172.02 2kh2 s GLU 128 N -4.61 3.83 -1.05 0.00 2.56 -1.26 -4.21 118.70 113.95 2kh2 s GLU 128 Ca 0.67 0.27 0.00 0.00 0.00 0.00 0.00 54.97 55.91 2kh2 s GLU 128 Cb -0.23 -2.98 0.00 0.00 2.00 0.00 0.00 34.13 32.92 2kh2 s GLU 128 CO 0.59 0.54 0.00 -1.71 -0.56 0.00 0.00 175.26 174.12 2kh2 n ASN 129 N 0.89 -3.89 -4.87 -1.70 5.15 -1.12 -5.01 115.26 104.71 2kh2 n ASN 129 Ca -0.07 0.03 -0.35 0.00 -0.60 0.00 0.00 54.58 53.59 2kh2 n ASN 129 Cb 0.52 -3.01 -0.05 0.00 -0.53 0.00 0.00 39.78 36.71 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 -4.36 3.69 0.98 1.20 -1.94 -1.21 -4.84 119.30 112.82 2kh2 s MET 130 Ca 0.00 0.08 -0.12 0.00 -1.71 0.00 0.00 55.69 53.94 2kh2 s MET 130 Cb 0.00 -3.07 0.18 0.00 2.01 0.00 0.00 34.83 33.95 2kh2 s MET 130 CO 0.00 0.63 1.11 -2.14 -0.01 0.00 0.00 175.02 174.60 2kh2 s PRO 131 N -1.69 0.57 -0.14 2.03 0.02 -1.26 -0.47 135.00 134.06 2kh2 s PRO 131 Ca 0.29 0.43 -0.07 0.00 0.02 0.00 0.00 61.00 61.67 2kh2 s PRO 131 Cb -0.14 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 2kh2 s PRO 131 CO 0.16 -2.62 0.11 0.08 -0.33 0.00 0.00 177.00 174.40 2kh2 s VAL 132 N -3.05 5.22 0.33 3.83 1.01 -0.78 -4.55 120.40 122.40 2kh2 s VAL 132 Ca 0.65 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.75 2kh2 s VAL 132 Cb -0.18 -3.30 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 2kh2 s VAL 132 CO 0.56 0.56 0.40 2.22 0.00 0.00 0.00 175.10 178.85 2kh2 n PHE 133 N 2.51 -1.20 -3.80 5.22 1.16 -0.99 -4.87 117.46 115.49 2kh2 n PHE 133 Ca -0.19 -2.41 -0.35 0.00 -1.87 0.00 0.00 57.45 52.64 2kh2 n PHE 133 Cb 0.54 0.45 -0.08 0.00 -1.61 0.00 0.00 39.48 38.77 2kh2 n PHE 133 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2kh2 s LEU 134 N 0.00 4.11 0.14 5.98 2.96 -1.26 -0.28 118.68 130.32 2kh2 s LEU 134 Ca 0.31 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.45 2kh2 s LEU 134 Cb 0.00 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 2kh2 s LEU 134 CO 0.22 0.17 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.52 2kh2 s GLY 135 N 0.39 1.01 -0.17 7.98 0.00 -0.11 -4.85 107.32 111.57 2kh2 s GLY 135 Ca 0.07 -1.47 0.16 0.00 0.00 0.00 0.00 44.72 43.48 2kh2 s GLY 135 CO -0.01 -1.55 1.25 0.61 0.00 0.00 0.00 173.10 173.39 2kh2 n GLY 136 N -0.16 4.76 2.84 0.20 0.00 -1.26 -0.75 105.19 110.82 2kh2 n GLY 136 Ca -0.10 -1.16 -0.36 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.16 3.83 -2.44 2.61 -2.24 -1.26 -4.96 114.28 108.66 2kh2 n THR 137 Ca 0.19 -5.51 -0.43 0.00 -2.27 0.00 0.00 64.05 56.04 2kh2 n THR 137 Cb 0.74 -2.16 -0.02 0.00 -2.10 0.00 0.00 70.33 66.78 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 -2.35 4.19 0.00 -0.78 2.20 -1.26 -2.90 119.74 118.84 2kh2 s LYS 138 Ca 0.33 1.58 0.00 0.00 -0.36 0.00 0.00 55.97 57.53 2kh2 s LYS 138 Cb 0.05 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 2kh2 s LYS 138 CO 0.01 -0.76 0.00 0.41 -0.36 0.00 0.00 175.35 174.65 2kh2 n GLY 139 N 3.70 0.65 0.00 5.54 0.00 -1.26 -5.05 105.19 108.77 2kh2 n GLY 139 Ca 0.14 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.59 1.27 0.12 -0.02 0.00 -1.14 -5.00 105.19 97.83 2kh2 n GLY 140 Ca 0.00 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 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 0.35 -7.35 1.61 7.50 -1.97 -3.46 115.11 111.78 2kh2 h GLN 141 Ca 0.00 -0.60 -0.49 0.00 0.50 0.00 0.00 58.65 58.06 2kh2 h GLN 141 Cb 0.00 0.22 0.13 0.00 0.05 0.00 0.00 27.48 27.88 2kh2 h GLN 141 CO 0.00 1.26 0.29 -0.51 -1.50 0.00 0.00 178.83 178.37 2kh2 s ASP 142 N -7.23 4.06 -0.23 1.46 1.01 -1.26 -4.61 116.67 109.87 2kh2 s ASP 142 Ca -0.07 1.50 -0.07 0.00 0.71 0.00 0.00 52.55 54.61 2kh2 s ASP 142 Cb 0.06 -2.21 -0.03 0.00 1.01 0.00 0.00 42.92 41.75 2kh2 s ASP 142 CO 0.89 -2.27 0.07 -0.63 0.21 0.00 0.00 175.17 173.44 2kh2 s ILE 143 N -3.00 4.48 -0.02 0.77 1.01 0.28 -4.64 121.20 120.08 2kh2 s ILE 143 Ca 0.62 -0.13 0.11 0.00 0.00 0.00 0.00 60.65 61.25 2kh2 s ILE 143 Cb -0.17 -3.07 -0.17 0.00 0.01 0.00 0.00 42.46 39.07 2kh2 s ILE 143 CO 0.56 0.38 0.24 0.35 0.00 0.00 0.00 174.94 176.47 2kh2 n THR 144 N 4.44 0.00 -3.51 2.92 -2.24 -1.26 -1.57 114.28 113.06 2kh2 n THR 144 Ca -0.16 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.02 2kh2 n THR 144 Cb 0.52 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.96 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 -3.24 6.69 0.22 3.42 -4.77 -1.26 -4.12 116.67 113.62 2kh2 s ASP 145 Ca -0.04 0.87 0.00 0.00 -3.30 0.00 0.00 52.55 50.08 2kh2 s ASP 145 Cb 0.07 -2.21 -0.05 0.00 -1.09 0.00 0.00 42.92 39.65 2kh2 s ASP 145 CO 0.45 0.15 0.11 -0.36 0.70 0.00 0.00 175.17 176.22 2kh2 s PHE 146 N -1.42 1.32 0.08 2.11 0.08 0.76 -3.95 117.98 116.96 2kh2 s PHE 146 Ca 0.35 -1.28 0.08 0.00 0.12 0.00 0.00 56.93 56.20 2kh2 s PHE 146 Cb -0.14 -0.71 -0.04 0.00 -0.57 0.00 0.00 43.02 41.56 2kh2 s PHE 146 CO 0.18 -0.49 -0.18 0.95 -0.10 0.00 0.00 175.22 175.58 2kh2 s THR 147 N -3.97 2.82 -0.34 0.64 -4.23 0.12 -1.13 115.64 109.56 2kh2 s THR 147 Ca 0.38 -1.36 -0.12 0.00 -1.18 0.00 0.00 61.69 59.40 2kh2 s THR 147 Cb 0.07 -2.25 -0.02 0.00 1.34 0.00 0.00 72.50 71.65 2kh2 s THR 147 CO 0.12 0.21 0.23 -0.32 -0.54 0.00 0.00 174.62 174.32 2kh2 s MET 148 N -1.83 3.46 -0.49 3.99 1.75 -1.26 -2.97 119.30 121.94 2kh2 s MET 148 Ca 0.16 -0.66 -0.02 0.00 -1.25 0.00 0.00 55.69 53.92 2kh2 s MET 148 Cb -0.11 -3.78 0.13 0.00 2.84 0.00 0.00 34.83 33.92 2kh2 s MET 148 CO 0.08 -0.45 0.28 -0.65 -0.65 0.00 0.00 175.02 173.64 2kh2 s GLN 149 N 1.71 2.17 0.19 4.11 1.11 -0.66 -4.95 119.66 123.34 2kh2 s GLN 149 Ca 0.06 -2.17 -0.30 0.00 0.01 0.00 0.00 55.36 52.96 2kh2 s GLN 149 Cb -0.17 -3.58 -0.09 0.00 -1.01 0.00 0.00 33.01 28.15 2kh2 s GLN 149 CO 0.10 -1.10 1.38 -0.06 0.01 0.00 0.00 175.29 175.62 2kh2 s PHE 150 N 0.54 3.17 0.47 0.91 0.08 -1.26 -0.21 117.98 121.67 2kh2 s PHE 150 Ca 0.13 1.06 0.06 0.00 0.12 0.00 0.00 56.93 58.30 2kh2 s PHE 150 Cb -0.22 -3.71 -0.01 0.00 -0.57 0.00 0.00 43.02 38.51 2kh2 s PHE 150 CO -0.04 -2.34 0.27 0.14 -0.10 0.00 0.00 175.22 173.15 2kh2 s VAL 151 N 0.38 2.03 -1.47 -0.44 -7.23 -1.07 -4.93 120.40 107.65 2kh2 s VAL 151 Ca 0.60 -1.61 -0.10 0.00 -1.81 0.00 0.00 61.98 59.07 2kh2 s VAL 151 Cb -0.39 -2.63 0.02 0.00 0.56 0.00 0.00 36.38 33.94 2kh2 s VAL 151 CO 0.37 0.00 2.53 -1.20 -0.31 0.00 0.00 175.10 176.50 2kh2 n SER 152 N -1.46 7.16 0.00 4.85 7.64 -1.26 -4.86 113.62 125.69 2kh2 n SER 152 Ca -0.02 -2.84 0.00 0.00 1.01 0.00 0.00 58.87 57.02 2kh2 n SER 152 Cb 0.64 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83