#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 -0.43 -5.13 0.00 0.11 -2.05 -3.43 132.00 121.07 2kh2 h PRO 2 Ca 0.00 0.03 -0.65 0.00 0.11 0.00 0.00 66.00 65.49 2kh2 h PRO 2 Cb 0.00 0.10 -0.25 0.00 0.11 0.00 0.00 31.00 30.96 2kh2 h PRO 2 CO 0.00 -0.10 -0.69 0.54 -0.21 0.00 0.00 178.00 177.53 2kh2 s VAL 3 N -4.05 3.64 0.19 3.15 0.11 -1.26 -5.00 120.40 117.19 2kh2 s VAL 3 Ca -0.13 -0.42 -0.30 0.00 -2.93 0.00 0.00 61.98 58.20 2kh2 s VAL 3 Cb 0.01 -2.63 -0.08 0.00 -1.53 0.00 0.00 36.38 32.15 2kh2 s VAL 3 CO 0.45 0.45 1.13 -0.13 -3.33 0.00 0.00 175.10 173.67 2kh2 s ARG 4 N 0.97 4.57 0.11 1.54 0.52 -1.26 -4.91 118.95 120.49 2kh2 s ARG 4 Ca 0.00 1.78 -0.13 0.00 -0.52 0.00 0.00 55.73 56.87 2kh2 s ARG 4 Cb -0.15 -3.25 0.02 0.00 0.52 0.00 0.00 34.95 32.09 2kh2 s ARG 4 CO 0.01 0.04 0.30 -1.12 0.02 0.00 0.00 175.30 174.55 2kh2 s SER 5 N -0.14 -0.07 0.24 0.23 0.01 -1.26 -1.21 113.70 111.50 2kh2 s SER 5 Ca 0.50 -0.48 -0.13 0.00 1.31 0.00 0.00 55.95 57.14 2kh2 s SER 5 Cb -0.31 0.41 -0.00 0.00 0.21 0.00 0.00 66.02 66.33 2kh2 s SER 5 CO 0.36 -0.80 0.48 -1.48 0.41 0.00 0.00 173.24 172.22 2kh2 s LEU 6 N -2.83 0.31 0.02 2.44 0.05 -0.80 -4.97 118.68 112.89 2kh2 s LEU 6 Ca 0.04 -0.86 0.08 0.00 0.05 0.00 0.00 54.13 53.44 2kh2 s LEU 6 Cb 0.03 1.82 -0.02 0.00 -2.05 0.00 0.00 46.19 45.97 2kh2 s LEU 6 CO -0.11 -1.13 -0.24 0.20 -0.55 0.00 0.00 176.35 174.52 2kh2 s ASN 7 N -2.99 2.87 0.13 1.48 0.01 -1.26 0.02 114.94 115.19 2kh2 s ASN 7 Ca 0.20 -0.51 -0.24 0.00 -0.71 0.00 0.00 52.86 51.60 2kh2 s ASN 7 Cb -0.01 -0.28 0.07 0.00 0.41 0.00 0.00 41.25 41.44 2kh2 s ASN 7 CO 0.07 0.25 0.73 0.00 -1.51 0.00 0.00 177.10 176.65 2kh2 s THR 9 N -3.56 4.45 -0.09 0.00 -4.23 -1.00 -0.76 115.64 110.45 2kh2 s THR 9 Ca 0.05 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 59.73 2kh2 s THR 9 Cb -0.02 -3.15 -0.03 0.00 1.34 0.00 0.00 72.50 70.65 2kh2 s THR 9 CO -0.07 0.10 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.25 2kh2 s LEU 10 N -2.45 2.97 -0.01 4.79 1.43 -1.25 -1.27 118.68 122.89 2kh2 s LEU 10 Ca 0.29 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 2kh2 s LEU 10 Cb -0.12 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.46 2kh2 s LEU 10 CO 0.22 0.29 -0.02 -0.13 0.23 0.00 0.00 176.35 176.93 2kh2 s ARG 11 N -0.37 0.33 0.26 1.70 0.52 -1.20 -3.80 118.95 116.39 2kh2 s ARG 11 Ca 0.05 -0.06 -0.04 0.00 -0.52 0.00 0.00 55.73 55.16 2kh2 s ARG 11 Cb -0.12 -0.38 0.06 0.00 0.52 0.00 0.00 34.95 35.03 2kh2 s ARG 11 CO 0.02 0.00 0.36 -0.40 0.02 0.00 0.00 175.30 175.30 2kh2 n ASP 12 N 3.41 0.12 0.22 0.23 5.68 -1.10 -0.39 116.55 124.71 2kh2 n ASP 12 Ca -0.18 -1.18 0.15 0.00 -0.50 0.00 0.00 54.79 53.08 2kh2 n ASP 12 Cb 0.56 -0.26 0.75 0.00 -1.14 0.00 0.00 41.12 41.02 2kh2 n ASP 12 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2kh2 h SER 13 N -0.42 0.00 -0.22 -1.12 4.64 -1.93 0.10 113.55 114.61 2kh2 h SER 13 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2kh2 h SER 13 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2kh2 h SER 13 CO 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 2kh2 n GLN 14 N -2.58 2.18 -1.96 4.77 1.13 -1.26 -4.92 117.38 114.74 2kh2 n GLN 14 Ca -0.01 -1.76 -0.16 0.00 -1.94 0.00 0.00 57.00 53.14 2kh2 n GLN 14 Cb 0.12 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 28.97 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 1.02 -1.18 -2.55 -1.09 1.13 0.36 -4.95 117.38 110.11 2kh2 n GLN 15 Ca 0.17 0.88 -0.32 0.00 -1.94 0.00 0.00 57.00 55.78 2kh2 n GLN 15 Cb 0.51 -5.16 -0.05 0.00 0.11 0.00 0.00 30.24 25.65 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 -4.19 4.05 0.14 -1.09 1.02 -1.26 -4.41 119.74 113.99 2kh2 s LYS 16 Ca 0.00 1.01 0.10 0.00 0.02 0.00 0.00 55.97 57.09 2kh2 s LYS 16 Cb 0.00 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.11 2kh2 s LYS 16 CO 0.00 -0.18 -0.19 -1.12 -0.92 0.00 0.00 175.35 172.94 2kh2 s SER 17 N -2.76 3.82 -0.16 2.83 0.01 0.84 -2.72 113.70 115.56 2kh2 s SER 17 Ca 0.60 -0.63 -0.24 0.00 1.31 0.00 0.00 55.95 56.99 2kh2 s SER 17 Cb -0.10 -0.50 -0.02 0.00 0.21 0.00 0.00 66.02 65.62 2kh2 s SER 17 CO 0.25 0.16 0.75 -0.76 0.41 0.00 0.00 173.24 174.05 2kh2 s LEU 18 N -2.32 4.19 0.07 2.44 1.43 -1.25 -2.02 118.68 121.23 2kh2 s LEU 18 Ca 0.19 1.09 0.09 0.00 -1.03 0.00 0.00 54.13 54.46 2kh2 s LEU 18 Cb -0.10 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 2kh2 s LEU 18 CO 0.10 -0.31 -0.24 0.68 0.23 0.00 0.00 176.35 176.82 2kh2 s VAL 19 N 1.82 1.92 -0.37 -1.59 -7.23 0.44 -2.16 120.40 113.23 2kh2 s VAL 19 Ca 0.36 -1.42 -0.29 0.00 -1.81 0.00 0.00 61.98 58.82 2kh2 s VAL 19 Cb -0.17 -1.68 0.01 0.00 0.56 0.00 0.00 36.38 35.11 2kh2 s VAL 19 CO 0.13 0.18 1.27 -0.04 -0.31 0.00 0.00 175.10 176.33 2kh2 s MET 20 N -1.48 3.80 0.00 4.82 -1.94 -1.26 -0.63 119.30 122.61 2kh2 s MET 20 Ca 0.10 1.00 0.00 0.00 -1.71 0.00 0.00 55.69 55.08 2kh2 s MET 20 Cb -0.10 -3.91 0.00 0.00 2.01 0.00 0.00 34.83 32.84 2kh2 s MET 20 CO 0.03 -1.27 0.00 0.45 -0.01 0.00 0.00 175.02 174.23 2kh2 n SER 21 N 7.89 0.00 -4.20 3.03 2.88 0.25 -4.94 113.62 118.53 2kh2 n SER 21 Ca 0.14 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.51 2kh2 n SER 21 Cb 0.48 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.02 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 2.74 1.17 0.30 0.46 0.00 -1.17 -4.91 105.19 103.78 2kh2 n GLY 22 Ca 0.00 -2.09 0.13 0.00 0.00 0.00 0.00 46.02 44.06 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 0.00 -0.34 1.61 0.11 -2.04 -2.73 132.00 128.61 2kh2 h PRO 23 Ca -0.25 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.60 2kh2 h PRO 23 Cb 1.00 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.76 2kh2 h PRO 23 CO 0.30 0.00 -0.94 0.66 -0.21 0.00 0.00 178.00 177.81 2kh2 n TYR 24 N -4.30 1.13 -4.07 0.65 4.02 -1.26 -5.05 117.16 108.29 2kh2 n TYR 24 Ca 0.01 -1.68 -0.16 0.00 -0.01 0.00 0.00 57.90 56.06 2kh2 n TYR 24 Cb 0.24 -0.24 -0.15 0.00 -0.02 0.00 0.00 39.34 39.17 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 -2.78 0.37 -0.06 -0.72 2.12 -1.03 -4.39 118.70 112.19 2kh2 s GLU 25 Ca 0.36 -0.09 0.05 0.00 0.36 0.00 0.00 54.97 55.65 2kh2 s GLU 25 Cb 0.36 -0.40 -0.01 0.00 0.26 0.00 0.00 34.13 34.34 2kh2 s GLU 25 CO -0.06 0.03 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.95 2kh2 s LEU 26 N 0.23 2.20 0.16 2.70 1.43 -1.26 -0.58 118.68 123.54 2kh2 s LEU 26 Ca -0.02 -0.46 0.11 0.00 -1.03 0.00 0.00 54.13 52.72 2kh2 s LEU 26 Cb -0.05 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 2kh2 s LEU 26 CO -0.00 0.25 -0.23 -0.54 0.23 0.00 0.00 176.35 176.06 2kh2 s LYS 27 N -0.18 1.57 -0.19 1.70 1.02 0.20 -1.89 119.74 121.96 2kh2 s LYS 27 Ca -0.03 -1.38 -0.01 0.00 0.02 0.00 0.00 55.97 54.58 2kh2 s LYS 27 Cb -0.14 -1.94 0.01 0.00 -0.52 0.00 0.00 37.83 35.24 2kh2 s LYS 27 CO 0.03 0.44 -0.13 0.00 -0.92 0.00 0.00 175.35 174.77 2kh2 s ALA 28 N -1.36 2.55 0.14 5.17 0.00 -0.14 -0.42 121.76 127.70 2kh2 s ALA 28 Ca 0.18 -1.17 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 2kh2 s ALA 28 Cb -0.09 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.64 2kh2 s ALA 28 CO 0.09 -0.34 0.32 -0.48 0.00 0.00 0.00 175.76 175.35 2kh2 s LEU 29 N 1.30 0.85 0.01 0.00 0.05 -0.86 -2.41 118.68 117.62 2kh2 s LEU 29 Ca 0.04 -0.65 -0.30 0.00 0.05 0.00 0.00 54.13 53.26 2kh2 s LEU 29 Cb -0.14 1.41 -0.06 0.00 -2.05 0.00 0.00 46.19 45.35 2kh2 s LEU 29 CO -0.07 -0.87 1.50 -1.00 -0.55 0.00 0.00 176.35 175.36 2kh2 s HIS 30 N -3.89 2.62 -0.16 3.48 3.76 -1.26 -0.11 115.29 119.73 2kh2 s HIS 30 Ca 0.10 0.60 0.01 0.00 -0.15 0.00 0.00 55.06 55.61 2kh2 s HIS 30 Cb 0.03 -3.78 0.00 0.00 1.11 0.00 0.00 32.58 29.94 2kh2 s HIS 30 CO -0.06 -3.02 -0.16 -1.17 -0.85 0.00 0.00 174.74 169.48 2kh2 s LEU 31 N 2.68 2.41 0.00 0.89 2.96 -1.26 -4.90 118.68 121.46 2kh2 s LEU 31 Ca 0.68 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 2kh2 s LEU 31 Cb -0.34 -1.54 0.00 0.00 0.50 0.00 0.00 46.19 44.81 2kh2 s LEU 31 CO 0.28 0.08 0.00 1.67 -1.32 0.00 0.00 176.35 177.06 2kh2 n GLN 32 N 4.12 0.00 0.00 1.98 7.27 -1.26 -4.92 117.38 124.56 2kh2 n GLN 32 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.88 2kh2 n GLN 32 Cb 0.52 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.17 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kh2 n GLY 33 N 0.00 2.21 1.02 1.69 0.00 -1.26 -2.66 105.19 106.20 2kh2 n GLY 33 Ca 0.00 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 9.58 2.33 -0.46 1.61 -0.06 -1.26 -4.08 117.38 125.04 2kh2 n GLN 34 Ca 0.00 -2.01 0.08 0.00 -2.00 0.00 0.00 57.00 53.07 2kh2 n GLN 34 Cb 0.00 -1.48 0.29 0.00 -4.06 0.00 0.00 30.24 24.99 2kh2 n GLN 34 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2kh2 n ASP 35 N 1.21 3.80 0.29 1.69 10.43 -1.09 -4.32 116.55 128.57 2kh2 n ASP 35 Ca 0.19 -2.26 0.15 0.00 2.57 0.00 0.00 54.79 55.44 2kh2 n ASP 35 Cb 0.53 -0.49 0.88 0.00 1.84 0.00 0.00 41.12 43.88 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 -1.07 0.00 0.00 177.20 176.10 2kh2 h MET 36 N 3.43 0.00 -0.03 -1.24 4.05 -1.70 -1.47 114.93 117.97 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 1.12 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.92 2kh2 h MET 36 CO 0.14 0.05 0.00 0.39 0.23 0.00 0.00 176.91 177.72 2kh2 n GLU 37 N -3.62 1.09 -0.06 0.39 -0.58 -1.26 -3.20 120.64 113.39 2kh2 n GLU 37 Ca -0.02 -0.13 0.12 0.00 -0.42 0.00 0.00 57.16 56.70 2kh2 n GLU 37 Cb 0.15 -1.19 0.36 0.00 -0.57 0.00 0.00 31.44 30.19 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 -0.55 1.90 -2.01 3.49 6.02 -0.56 -4.94 117.38 120.74 2kh2 n GLN 38 Ca 0.09 -1.34 -0.33 0.00 -0.01 0.00 0.00 57.00 55.41 2kh2 n GLN 38 Cb 0.07 -1.45 0.02 0.00 1.02 0.00 0.00 30.24 29.90 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 -1.84 3.16 -0.06 -1.09 -2.07 -1.19 -4.77 119.66 111.79 2kh2 s GLN 39 Ca 0.34 1.37 -0.14 0.00 -1.82 0.00 0.00 55.36 55.12 2kh2 s GLN 39 Cb 0.20 -2.00 -0.05 0.00 -1.09 0.00 0.00 33.01 30.07 2kh2 s GLN 39 CO 0.30 -0.96 0.36 0.08 -1.32 0.00 0.00 175.29 173.74 2kh2 s VAL 40 N -2.24 5.17 -0.20 3.63 1.01 -0.92 -5.04 120.40 121.81 2kh2 s VAL 40 Ca 0.67 0.71 -0.07 0.00 0.00 0.00 0.00 61.98 63.28 2kh2 s VAL 40 Cb -0.19 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2kh2 s VAL 40 CO 0.35 0.52 0.06 -0.69 0.00 0.00 0.00 175.10 175.34 2kh2 s VAL 41 N -0.55 4.63 -0.13 2.92 1.01 -1.26 -4.53 120.40 122.49 2kh2 s VAL 41 Ca 0.21 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 2kh2 s VAL 41 Cb -0.15 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2kh2 s VAL 41 CO 0.10 0.42 0.03 -0.36 0.00 0.00 0.00 175.10 175.28 2kh2 s PHE 42 N 0.76 3.20 -0.18 5.22 0.08 0.06 -1.88 117.98 125.24 2kh2 s PHE 42 Ca 0.03 0.09 -0.18 0.00 0.12 0.00 0.00 56.93 56.99 2kh2 s PHE 42 Cb -0.13 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 2kh2 s PHE 42 CO 0.02 0.30 0.51 -1.12 -0.10 0.00 0.00 175.22 174.83 2kh2 s SER 43 N -0.26 6.60 -0.31 1.36 0.01 0.12 -1.53 113.70 119.69 2kh2 s SER 43 Ca 0.07 0.72 -0.07 0.00 1.31 0.00 0.00 55.95 57.97 2kh2 s SER 43 Cb -0.12 -2.29 0.01 0.00 0.21 0.00 0.00 66.02 63.83 2kh2 s SER 43 CO 0.02 -0.14 0.10 -0.04 0.41 0.00 0.00 173.24 173.60 2kh2 s MET 44 N 1.37 3.05 -0.05 12.44 -1.94 0.10 -2.06 119.30 132.21 2kh2 s MET 44 Ca 0.25 -0.89 -0.07 0.00 -1.71 0.00 0.00 55.69 53.26 2kh2 s MET 44 Cb -0.15 -3.43 -0.04 0.00 2.01 0.00 0.00 34.83 33.21 2kh2 s MET 44 CO 0.10 -0.49 0.21 -1.12 -0.01 0.00 0.00 175.02 173.72 2kh2 s SER 45 N 1.51 6.46 -0.67 3.03 0.01 -1.15 -1.90 113.70 121.00 2kh2 s SER 45 Ca 0.02 0.53 -0.22 0.00 1.31 0.00 0.00 55.95 57.59 2kh2 s SER 45 Cb -0.18 -2.08 0.07 0.00 0.21 0.00 0.00 66.02 64.04 2kh2 s SER 45 CO 0.03 0.33 0.97 -0.36 0.41 0.00 0.00 173.24 174.62 2kh2 s PHE 46 N -1.16 2.69 0.00 2.43 0.40 -0.35 -1.32 117.98 120.67 2kh2 s PHE 46 Ca 0.22 -0.58 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 2kh2 s PHE 46 Cb -0.13 -4.29 0.00 0.00 0.51 0.00 0.00 43.02 39.11 2kh2 s PHE 46 CO 0.11 -1.64 0.00 1.33 0.70 0.00 0.00 175.22 175.72 2kh2 n VAL 47 N 5.91 0.00 -4.07 -0.44 0.24 -1.04 -4.66 118.33 114.28 2kh2 n VAL 47 Ca -0.03 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.95 2kh2 n VAL 47 Cb 0.45 -1.99 -0.15 0.00 -1.47 0.00 0.00 33.84 30.69 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 -2.46 2.24 0.00 7.34 2.00 -1.15 -4.89 119.66 122.74 2kh2 s GLN 48 Ca 0.00 -1.35 0.00 0.00 -2.00 0.00 0.00 55.36 52.01 2kh2 s GLN 48 Cb 0.00 -2.90 0.00 0.00 0.80 0.00 0.00 33.01 30.91 2kh2 s GLN 48 CO 0.00 -0.57 0.00 0.41 -0.50 0.00 0.00 175.29 174.63 2kh2 n GLY 49 N 4.44 2.99 3.63 2.59 0.00 -1.26 -4.96 105.19 112.61 2kh2 n GLY 49 Ca -0.14 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 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 3.00 3.65 -0.09 1.61 2.56 -1.26 -4.95 118.70 123.22 2kh2 s GLU 50 Ca 0.00 2.05 0.01 0.00 0.00 0.00 0.00 54.97 57.03 2kh2 s GLU 50 Cb 0.00 -4.19 -0.02 0.00 2.00 0.00 0.00 34.13 31.91 2kh2 s GLU 50 CO 0.00 -1.49 -0.10 -2.00 -0.56 0.00 0.00 175.26 171.10 2kh2 s GLU 51 N 5.22 3.02 0.00 4.30 2.12 -1.26 -3.94 118.70 128.15 2kh2 s GLU 51 Ca 0.86 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 55.57 2kh2 s GLU 51 Cb -0.33 -2.59 0.00 0.00 0.26 0.00 0.00 34.13 31.47 2kh2 s GLU 51 CO 0.35 0.45 0.00 -1.13 -0.54 0.00 0.00 175.26 174.39 2kh2 n SER 52 N 2.84 0.00 0.08 -1.70 3.41 -0.97 -5.01 113.62 112.28 2kh2 n SER 52 Ca -0.18 -0.76 0.12 0.00 -0.26 0.00 0.00 58.87 57.79 2kh2 n SER 52 Cb 0.53 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.65 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 -0.26 -2.01 -3.39 115.58 113.96 2kh2 h ASN 53 Ca 0.00 -0.16 -0.05 0.00 -0.56 0.00 0.00 56.30 55.53 2kh2 h ASN 53 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 2kh2 h ASN 53 CO 0.00 0.08 -1.20 -0.90 -1.06 0.00 0.00 177.43 174.35 2kh2 n ASP 54 N -2.23 4.02 -4.44 5.81 5.75 -1.26 -4.95 116.55 119.26 2kh2 n ASP 54 Ca 0.03 -0.01 -0.37 0.00 -0.01 0.00 0.00 54.79 54.43 2kh2 n ASP 54 Cb 0.46 0.28 -0.12 0.00 -1.03 0.00 0.00 41.12 40.70 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 -2.07 3.58 -0.17 0.11 1.02 -1.26 -1.88 119.74 119.07 2kh2 s LYS 55 Ca -0.03 -0.53 -0.00 0.00 0.02 0.00 0.00 55.97 55.42 2kh2 s LYS 55 Cb 0.01 -3.35 0.00 0.00 -0.52 0.00 0.00 37.83 33.97 2kh2 s LYS 55 CO 0.10 -0.23 -0.14 0.42 -0.92 0.00 0.00 175.35 174.58 2kh2 s ILE 56 N 1.61 2.70 -0.36 2.17 -1.09 -0.71 -2.28 121.20 123.23 2kh2 s ILE 56 Ca 0.06 -0.75 -0.29 0.00 -2.23 0.00 0.00 60.65 57.44 2kh2 s ILE 56 Cb -0.15 -2.16 0.01 0.00 -1.58 0.00 0.00 42.46 38.58 2kh2 s ILE 56 CO 0.04 0.50 1.25 -2.16 -1.23 0.00 0.00 174.94 173.34 2kh2 s PRO 57 N 1.02 3.84 0.27 2.79 0.04 -1.25 -0.24 135.00 141.47 2kh2 s PRO 57 Ca -0.01 1.03 0.02 0.00 0.04 0.00 0.00 61.00 62.08 2kh2 s PRO 57 Cb -0.15 -3.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 2kh2 s PRO 57 CO -0.03 -1.22 0.15 0.14 0.04 0.00 0.00 177.00 176.08 2kh2 s VAL 58 N 4.46 0.27 0.21 -0.36 -7.23 0.09 -2.49 120.40 115.34 2kh2 s VAL 58 Ca 0.54 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.82 2kh2 s VAL 58 Cb -0.13 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.23 2kh2 s VAL 58 CO 0.25 0.00 -0.21 0.00 -0.31 0.00 0.00 175.10 174.83 2kh2 s ALA 59 N -3.75 2.64 -0.24 1.32 0.00 -0.43 -0.69 121.76 120.61 2kh2 s ALA 59 Ca 0.37 -1.67 0.01 0.00 0.00 0.00 0.00 51.96 50.66 2kh2 s ALA 59 Cb 0.06 -0.37 0.06 0.00 0.00 0.00 0.00 23.12 22.87 2kh2 s ALA 59 CO 0.16 0.40 -0.04 -0.51 0.00 0.00 0.00 175.76 175.77 2kh2 s LEU 60 N -2.89 2.59 0.17 0.00 1.43 -1.26 -2.94 118.68 115.78 2kh2 s LEU 60 Ca 0.23 -1.23 0.07 0.00 -1.03 0.00 0.00 54.13 52.18 2kh2 s LEU 60 Cb -0.07 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 2kh2 s LEU 60 CO 0.12 -0.25 -0.15 -0.83 0.23 0.00 0.00 176.35 175.47 2kh2 s GLY 61 N 1.40 1.29 0.31 -3.19 0.00 -0.87 -0.78 107.32 105.48 2kh2 s GLY 61 Ca -0.04 -1.51 -0.27 0.00 0.00 0.00 0.00 44.72 42.89 2kh2 s GLY 61 CO -0.07 -1.59 1.01 1.08 0.00 0.00 0.00 173.10 173.53 2kh2 s LEU 62 N -2.94 4.42 0.07 0.66 1.02 0.09 0.11 118.68 122.10 2kh2 s LEU 62 Ca 0.17 2.03 -0.33 0.00 0.02 0.00 0.00 54.13 56.02 2kh2 s LEU 62 Cb -0.03 -3.86 -0.12 0.00 0.02 0.00 0.00 46.19 42.20 2kh2 s LEU 62 CO 0.05 -0.14 1.77 1.17 0.02 0.00 0.00 176.35 179.22 2kh2 n LYS 63 N 0.79 2.37 -2.64 1.70 4.81 -0.79 -1.92 118.16 122.48 2kh2 n LYS 63 Ca 0.01 0.86 -0.13 0.00 -0.87 0.00 0.00 58.31 58.18 2kh2 n LYS 63 Cb 0.48 -2.70 -0.00 0.00 0.02 0.00 0.00 35.03 32.82 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 5.24 -2.58 -4.16 1.64 0.00 -1.26 -4.95 120.64 114.57 2kh2 n GLU 64 Ca 0.19 0.52 -0.15 0.00 0.00 0.00 0.00 57.16 57.71 2kh2 n GLU 64 Cb 0.32 -5.13 -0.13 0.00 0.00 0.00 0.00 31.44 26.50 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2kh2 s LYS 65 N -5.23 0.57 -0.00 3.44 1.02 -0.81 -5.02 119.74 113.71 2kh2 s LYS 65 Ca 0.08 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.53 2kh2 s LYS 65 Cb -0.04 -0.46 0.01 0.00 -0.52 0.00 0.00 37.83 36.81 2kh2 s LYS 65 CO 0.10 0.11 0.88 0.27 -0.92 0.00 0.00 175.35 175.79 2kh2 n ASN 66 N 2.11 0.29 -4.60 2.83 2.04 -1.26 -4.26 115.26 112.41 2kh2 n ASN 66 Ca -0.18 -2.00 -0.41 0.00 -0.44 0.00 0.00 54.58 51.55 2kh2 n ASN 66 Cb 0.56 -0.13 -0.07 0.00 -2.53 0.00 0.00 39.78 37.61 2kh2 n ASN 66 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 2kh2 s LEU 67 N -0.75 4.14 0.11 -4.53 1.43 -1.26 -1.81 118.68 116.01 2kh2 s LEU 67 Ca 0.00 0.40 0.09 0.00 -1.03 0.00 0.00 54.13 53.59 2kh2 s LEU 67 Cb 0.00 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 2kh2 s LEU 67 CO 0.00 -0.42 -0.23 -0.31 0.23 0.00 0.00 176.35 175.62 2kh2 s TYR 68 N 2.49 1.97 -0.11 0.29 1.51 -0.24 -0.73 117.35 122.53 2kh2 s TYR 68 Ca 0.23 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.59 2kh2 s TYR 68 Cb -0.15 -1.08 -0.02 0.00 -0.11 0.00 0.00 41.96 40.59 2kh2 s TYR 68 CO 0.11 0.24 1.25 -0.51 -1.11 0.00 0.00 175.55 175.53 2kh2 s LEU 69 N -1.89 4.23 0.03 -1.29 1.43 0.04 -0.59 118.68 120.64 2kh2 s LEU 69 Ca 0.09 1.77 0.05 0.00 -1.03 0.00 0.00 54.13 55.01 2kh2 s LEU 69 Cb -0.10 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 2kh2 s LEU 69 CO 0.05 -0.69 -0.15 -0.55 0.23 0.00 0.00 176.35 175.23 2kh2 s SER 70 N 1.80 1.83 -0.20 2.29 0.15 0.66 -4.60 113.70 115.62 2kh2 s SER 70 Ca 0.56 -0.42 -0.02 0.00 0.70 0.00 0.00 55.95 56.76 2kh2 s SER 70 Cb -0.24 -0.14 -0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2kh2 s SER 70 CO 0.18 0.09 -0.09 0.00 1.20 0.00 0.00 173.24 174.62 2kh2 s VAL 72 N 1.32 0.52 -0.33 0.00 -7.23 -0.42 -4.71 120.40 109.55 2kh2 s VAL 72 Ca 0.04 -1.98 -0.18 0.00 -1.81 0.00 0.00 61.98 58.04 2kh2 s VAL 72 Cb -0.14 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 2kh2 s VAL 72 CO -0.05 -0.24 0.53 -0.76 -0.31 0.00 0.00 175.10 174.27 2kh2 s LEU 73 N -3.22 4.26 -0.17 1.32 1.43 -1.26 0.46 118.68 121.50 2kh2 s LEU 73 Ca 0.31 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 2kh2 s LEU 73 Cb 0.07 -2.63 0.02 0.00 0.03 0.00 0.00 46.19 43.68 2kh2 s LEU 73 CO 0.08 -0.45 -0.18 -0.54 0.23 0.00 0.00 176.35 175.50 2kh2 s LYS 74 N 2.42 2.72 -1.19 1.70 1.02 0.64 -4.74 119.74 122.30 2kh2 s LYS 74 Ca 0.20 -0.76 -0.03 0.00 0.02 0.00 0.00 55.97 55.41 2kh2 s LYS 74 Cb -0.15 -2.43 -0.02 0.00 -0.52 0.00 0.00 37.83 34.72 2kh2 s LYS 74 CO 0.13 -0.24 0.88 -3.47 -0.92 0.00 0.00 175.35 171.74 2kh2 n ASP 75 N 4.67 -3.00 -1.84 2.83 -0.08 -1.26 -2.07 116.55 115.80 2kh2 n ASP 75 Ca -0.19 -0.72 -0.20 0.00 -1.51 0.00 0.00 54.79 52.17 2kh2 n ASP 75 Cb 0.50 -4.73 -0.06 0.00 2.34 0.00 0.00 41.12 39.16 2kh2 n ASP 75 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kh2 n ASP 76 N -3.10 -5.39 -3.74 1.67 2.03 -1.26 -4.97 116.55 101.79 2kh2 n ASP 76 Ca -0.23 0.34 -0.14 0.00 0.52 0.00 0.00 54.79 55.28 2kh2 n ASP 76 Cb 0.66 -4.69 -0.14 0.00 -0.72 0.00 0.00 41.12 36.22 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2kh2 s LYS 77 N -4.12 0.10 -0.02 -0.67 2.47 -0.88 -5.11 119.74 111.50 2kh2 s LYS 77 Ca 0.00 0.40 -0.30 0.00 -1.56 0.00 0.00 55.97 54.52 2kh2 s LYS 77 Cb 0.00 -0.18 -0.08 0.00 -1.46 0.00 0.00 37.83 36.11 2kh2 s LYS 77 CO 0.00 -0.18 1.98 -2.14 0.16 0.00 0.00 175.35 175.17 2kh2 s PRO 78 N 1.26 3.96 0.01 4.03 0.02 -1.26 -0.26 135.00 142.77 2kh2 s PRO 78 Ca -0.08 2.46 0.07 0.00 0.02 0.00 0.00 61.00 63.46 2kh2 s PRO 78 Cb -0.12 -4.18 -0.02 0.00 0.02 0.00 0.00 34.50 30.20 2kh2 s PRO 78 CO -0.06 -1.15 -0.20 0.99 -0.33 0.00 0.00 177.00 176.25 2kh2 s THR 79 N 5.10 1.57 0.13 0.99 2.01 0.17 -4.70 115.64 120.92 2kh2 s THR 79 Ca 0.89 -1.01 -0.14 0.00 0.31 0.00 0.00 61.69 61.74 2kh2 s THR 79 Cb -0.40 -1.34 -0.07 0.00 0.01 0.00 0.00 72.50 70.70 2kh2 s THR 79 CO 0.39 0.31 0.53 -0.22 -0.69 0.00 0.00 174.62 174.94 2kh2 s LEU 80 N -0.82 4.35 0.34 4.42 2.96 -1.26 -1.30 118.68 127.38 2kh2 s LEU 80 Ca 0.07 1.04 -0.15 0.00 -0.22 0.00 0.00 54.13 54.87 2kh2 s LEU 80 Cb -0.08 -3.19 0.04 0.00 0.50 0.00 0.00 46.19 43.45 2kh2 s LEU 80 CO 0.00 0.13 0.72 0.00 -1.32 0.00 0.00 176.35 175.88 2kh2 s GLN 81 N -1.89 2.04 -0.18 1.98 -2.07 0.41 -4.90 119.66 115.06 2kh2 s GLN 81 Ca 0.36 -1.35 -0.05 0.00 -1.82 0.00 0.00 55.36 52.50 2kh2 s GLN 81 Cb -0.15 0.59 -0.03 0.00 -1.09 0.00 0.00 33.01 32.33 2kh2 s GLN 81 CO 0.19 -0.93 0.00 -0.51 -1.32 0.00 0.00 175.29 172.72 2kh2 s LEU 82 N -3.05 3.42 0.07 2.60 2.01 -1.26 -0.25 118.68 122.23 2kh2 s LEU 82 Ca 0.16 -0.09 0.07 0.00 0.01 0.00 0.00 54.13 54.29 2kh2 s LEU 82 Cb -0.05 -1.85 -0.04 0.00 0.01 0.00 0.00 46.19 44.27 2kh2 s LEU 82 CO 0.11 0.14 -0.13 -1.61 1.01 0.00 0.00 176.35 175.87 2kh2 s GLU 83 N 0.54 2.12 -0.51 1.70 2.02 0.24 -4.91 118.70 119.91 2kh2 s GLU 83 Ca -0.01 -0.99 -0.14 0.00 0.02 0.00 0.00 54.97 53.85 2kh2 s GLU 83 Cb -0.14 -2.27 0.12 0.00 0.10 0.00 0.00 34.13 31.94 2kh2 s GLU 83 CO 0.02 0.53 0.44 -1.12 0.02 0.00 0.00 175.26 175.14 2kh2 s SER 84 N -1.88 6.03 0.34 -0.19 0.01 -1.26 -1.08 113.70 115.68 2kh2 s SER 84 Ca 0.18 -1.75 0.05 0.00 1.31 0.00 0.00 55.95 55.74 2kh2 s SER 84 Cb -0.11 -2.15 -0.01 0.00 0.21 0.00 0.00 66.02 63.96 2kh2 s SER 84 CO 0.10 -0.78 0.50 0.68 0.41 0.00 0.00 173.24 174.15 2kh2 s VAL 85 N 1.54 4.30 -0.14 3.43 -7.23 -0.75 -5.02 120.40 116.52 2kh2 s VAL 85 Ca 0.04 -0.86 -0.34 0.00 -1.81 0.00 0.00 61.98 59.01 2kh2 s VAL 85 Cb -0.28 -3.52 -0.11 0.00 0.56 0.00 0.00 36.38 33.03 2kh2 s VAL 85 CO 0.02 -0.24 1.96 -0.67 -0.31 0.00 0.00 175.10 175.86 2kh2 n ASP 86 N -1.71 3.23 0.00 4.85 4.64 -1.26 -4.82 116.55 121.49 2kh2 n ASP 86 Ca -0.01 0.82 0.05 0.00 -1.38 0.00 0.00 54.79 54.27 2kh2 n ASP 86 Cb 0.58 -1.37 0.24 0.00 -1.04 0.00 0.00 41.12 39.53 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 7.07 0.00 -0.01 -0.67 -0.04 -1.26 -1.53 135.00 138.56 2kh2 n PRO 87 Ca 0.26 0.31 0.06 0.00 -0.04 0.00 0.00 63.50 64.08 2kh2 n PRO 87 Cb 0.30 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.16 2kh2 n PRO 87 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2kh2 n LYS 88 N -1.50 0.43 0.00 0.54 2.85 -1.26 -4.47 118.16 114.74 2kh2 n LYS 88 Ca 0.03 -0.11 0.11 0.00 -1.05 0.00 0.00 58.31 57.29 2kh2 n LYS 88 Cb 0.13 -1.29 0.07 0.00 -0.65 0.00 0.00 35.03 33.30 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 -1.94 2.66 -4.13 -5.58 3.02 -1.04 -4.94 115.26 103.31 2kh2 n ASN 89 Ca -0.03 -1.83 -0.17 0.00 -0.03 0.00 0.00 54.58 52.52 2kh2 n ASN 89 Cb 0.33 0.09 -0.12 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.92 1.05 0.51 3.10 1.51 -0.58 -4.50 117.35 116.51 2kh2 s TYR 90 Ca 0.24 -0.45 -0.08 0.00 -1.01 0.00 0.00 57.07 55.77 2kh2 s TYR 90 Cb 0.18 -0.60 0.11 0.00 -0.11 0.00 0.00 41.96 41.54 2kh2 s TYR 90 CO 0.32 0.01 0.69 -0.35 -1.11 0.00 0.00 175.55 175.11 2kh2 n PRO 91 N 1.43 -0.59 -3.96 -1.71 -0.04 -1.26 -4.75 135.00 124.12 2kh2 n PRO 91 Ca -0.21 -1.13 -0.10 0.00 -0.04 0.00 0.00 63.50 62.02 2kh2 n PRO 91 Cb 0.54 -0.69 -0.06 0.00 -0.04 0.00 0.00 33.50 33.26 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 -4.47 1.32 0.02 0.54 -2.85 -1.26 -5.07 119.74 107.98 2kh2 s LYS 92 Ca 0.40 -1.19 -0.25 0.00 -1.00 0.00 0.00 55.97 53.93 2kh2 s LYS 92 Cb -0.01 0.42 -0.18 0.00 -2.06 0.00 0.00 37.83 36.00 2kh2 s LYS 92 CO 0.28 -0.52 1.44 -0.22 0.10 0.00 0.00 175.35 176.43 2kh2 h LYS 93 N 2.40 -0.03 -3.72 1.78 3.11 -1.94 -3.36 116.57 114.81 2kh2 h LYS 93 Ca -0.30 0.00 -0.78 0.00 -2.81 0.00 0.00 60.65 56.77 2kh2 h LYS 93 Cb 1.24 0.01 -0.28 0.00 -1.00 0.00 0.00 32.23 32.20 2kh2 h LYS 93 CO 0.43 0.27 0.12 0.21 -2.81 0.00 0.00 179.45 177.66 2kh2 s LYS 94 N -5.00 3.62 0.95 1.90 2.47 -1.26 -2.94 119.74 119.47 2kh2 s LYS 94 Ca -0.15 -2.68 -0.15 0.00 -1.56 0.00 0.00 55.97 51.43 2kh2 s LYS 94 Cb 0.03 -4.36 0.17 0.00 -1.46 0.00 0.00 37.83 32.21 2kh2 s LYS 94 CO 0.66 -1.27 1.22 -1.64 0.16 0.00 0.00 175.35 174.48 2kh2 s MET 95 N -0.26 0.76 0.58 4.03 -1.94 -1.26 -5.03 119.30 116.19 2kh2 s MET 95 Ca 0.21 -0.08 -0.18 0.00 -1.71 0.00 0.00 55.69 53.93 2kh2 s MET 95 Cb -0.11 -1.83 -0.04 0.00 2.01 0.00 0.00 34.83 34.86 2kh2 s MET 95 CO -0.08 -2.39 1.10 -1.21 -0.01 0.00 0.00 175.02 172.43 2kh2 s GLU 96 N -5.61 3.21 0.53 2.03 8.01 -1.26 -4.90 118.70 120.71 2kh2 s GLU 96 Ca 0.69 1.46 0.20 0.00 0.01 0.00 0.00 54.97 57.32 2kh2 s GLU 96 Cb -0.09 -2.00 1.39 0.00 -4.31 0.00 0.00 34.13 29.12 2kh2 s GLU 96 CO 0.53 -0.94 2.15 -0.22 0.01 0.00 0.00 175.26 176.79 2kh2 h LYS 97 N 0.74 0.00 0.00 1.61 1.63 -1.95 0.57 116.57 119.17 2kh2 h LYS 97 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 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 0.56 0.03 0.00 2.89 -3.45 0.00 0.00 179.45 179.49 2kh2 n ARG 98 N -4.27 0.17 -0.05 1.90 1.85 -1.26 -2.88 116.66 112.12 2kh2 n ARG 98 Ca -0.03 0.04 0.04 0.00 -1.00 0.00 0.00 57.85 56.90 2kh2 n ARG 98 Cb 0.12 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 30.09 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 -1.41 0.13 -3.61 2.89 3.72 0.16 -1.43 117.46 117.91 2kh2 n PHE 99 Ca 0.09 -0.18 -0.38 0.00 -0.05 0.00 0.00 57.45 56.93 2kh2 n PHE 99 Cb 0.27 -0.01 -0.11 0.00 -0.94 0.00 0.00 39.48 38.69 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 -0.81 5.28 0.11 -4.37 1.01 -0.98 -4.33 120.40 116.31 2kh2 s VAL 100 Ca 0.13 0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.36 2kh2 s VAL 100 Cb 0.08 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2kh2 s VAL 100 CO 0.11 0.27 -0.21 -0.36 0.00 0.00 0.00 175.10 174.91 2kh2 s PHE 101 N 1.62 2.47 -0.41 5.22 0.08 0.13 -1.95 117.98 125.13 2kh2 s PHE 101 Ca 0.07 -0.30 -0.11 0.00 0.12 0.00 0.00 56.93 56.71 2kh2 s PHE 101 Cb -0.15 -1.33 0.05 0.00 -0.57 0.00 0.00 43.02 41.02 2kh2 s PHE 101 CO 0.09 0.35 0.26 -0.80 -0.10 0.00 0.00 175.22 175.03 2kh2 s ASN 102 N -2.03 5.78 -0.70 1.36 0.02 0.21 -0.73 114.94 118.84 2kh2 s ASN 102 Ca 0.16 -1.21 -0.27 0.00 -1.02 0.00 0.00 52.86 50.52 2kh2 s ASN 102 Cb -0.10 -2.04 0.02 0.00 0.02 0.00 0.00 41.25 39.14 2kh2 s ASN 102 CO 0.08 -0.48 1.42 -0.75 0.02 0.00 0.00 177.10 177.39 2kh2 s LYS 103 N 1.53 3.06 0.20 -0.60 2.20 0.67 -1.31 119.74 125.49 2kh2 s LYS 103 Ca 0.03 -0.02 -0.14 0.00 -0.36 0.00 0.00 55.97 55.47 2kh2 s LYS 103 Cb -0.21 -4.23 -0.07 0.00 -1.51 0.00 0.00 37.83 31.81 2kh2 s LYS 103 CO 0.05 -2.28 0.60 0.42 -0.36 0.00 0.00 175.35 173.79 2kh2 s ILE 104 N 6.53 4.80 -0.58 5.43 1.01 0.12 -1.74 121.20 136.77 2kh2 s ILE 104 Ca 0.43 0.84 0.05 0.00 0.00 0.00 0.00 60.65 61.97 2kh2 s ILE 104 Cb -0.09 -3.71 0.17 0.00 0.01 0.00 0.00 42.46 38.84 2kh2 s ILE 104 CO 0.17 0.11 0.44 -1.84 0.00 0.00 0.00 174.94 173.82 2kh2 n GLU 105 N 0.43 1.17 0.28 2.79 0.28 -0.79 -0.58 120.64 124.22 2kh2 n GLU 105 Ca -0.02 -3.94 -0.12 0.00 -0.16 0.00 0.00 57.16 52.91 2kh2 n GLU 105 Cb 0.52 -2.02 -0.06 0.00 1.43 0.00 0.00 31.44 31.31 2kh2 n GLU 105 CO 0.00 0.00 0.00 -0.84 -0.16 0.00 0.00 177.13 176.13 2kh2 h ILE 106 N 4.39 0.00 0.00 3.84 3.07 -1.90 -3.47 117.51 123.45 2kh2 h ILE 106 Ca 0.20 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.61 2kh2 h ILE 106 Cb 0.81 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.36 2kh2 h ILE 106 CO 0.58 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.22 2kh2 n ASN 107 N -4.24 0.00 -0.16 2.16 0.23 -1.26 -4.98 115.26 107.01 2kh2 n ASN 107 Ca -0.09 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.02 2kh2 n ASN 107 Cb 0.31 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.98 2kh2 n ASN 107 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2kh2 n ASN 108 N 0.00 1.04 -4.82 0.53 4.13 -1.26 -4.97 115.26 109.91 2kh2 n ASN 108 Ca 0.00 -1.02 -0.29 0.00 1.68 0.00 0.00 54.58 54.96 2kh2 n ASN 108 Cb 0.00 0.72 -0.05 0.00 -1.54 0.00 0.00 39.78 38.90 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2kh2 s LYS 109 N -1.90 3.03 -0.05 3.52 -0.14 -1.26 -4.97 119.74 117.96 2kh2 s LYS 109 Ca 0.08 -0.70 0.03 0.00 -1.36 0.00 0.00 55.97 54.02 2kh2 s LYS 109 Cb 0.10 -2.77 -0.03 0.00 -1.68 0.00 0.00 37.83 33.45 2kh2 s LYS 109 CO 0.42 0.54 -0.13 -0.51 -0.76 0.00 0.00 175.35 174.91 2kh2 s LEU 110 N -2.74 2.83 0.05 3.17 1.43 0.16 -3.56 118.68 120.03 2kh2 s LEU 110 Ca 0.31 -0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.32 2kh2 s LEU 110 Cb -0.11 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 2kh2 s LEU 110 CO 0.24 0.35 -0.15 -1.61 0.23 0.00 0.00 176.35 175.40 2kh2 s GLU 111 N -0.73 2.11 -0.37 1.70 2.02 0.25 0.32 118.70 124.00 2kh2 s GLU 111 Ca 0.11 -0.97 -0.04 0.00 0.02 0.00 0.00 54.97 54.09 2kh2 s GLU 111 Cb -0.11 -2.24 0.07 0.00 0.10 0.00 0.00 34.13 31.96 2kh2 s GLU 111 CO 0.01 0.54 0.14 -0.06 0.02 0.00 0.00 175.26 175.90 2kh2 s PHE 112 N -1.00 3.39 0.06 1.61 0.08 -1.26 0.11 117.98 120.96 2kh2 s PHE 112 Ca 0.16 -1.93 -0.05 0.00 0.12 0.00 0.00 56.93 55.23 2kh2 s PHE 112 Cb -0.11 -2.69 -0.05 0.00 -0.57 0.00 0.00 43.02 39.61 2kh2 s PHE 112 CO 0.07 -0.86 0.29 -2.00 -0.10 0.00 0.00 175.22 172.63 2kh2 s GLU 113 N 1.27 3.58 -0.05 0.44 2.12 -0.43 -1.44 118.70 124.19 2kh2 s GLU 113 Ca 0.02 -0.12 -0.26 0.00 0.36 0.00 0.00 54.97 54.97 2kh2 s GLU 113 Cb -0.21 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 2kh2 s GLU 113 CO -0.01 0.59 0.79 0.45 -0.54 0.00 0.00 175.26 176.54 2kh2 s SER 114 N -2.02 7.11 0.24 -1.70 0.15 -0.14 0.66 113.70 118.00 2kh2 s SER 114 Ca 0.32 1.34 0.01 0.00 0.70 0.00 0.00 55.95 58.33 2kh2 s SER 114 Cb -0.13 -2.46 0.29 0.00 -1.71 0.00 0.00 66.02 62.01 2kh2 s SER 114 CO 0.20 -0.16 1.62 0.00 1.20 0.00 0.00 173.24 176.10 2kh2 h ALA 115 N 6.78 0.93 0.00 5.45 0.00 -1.64 -2.80 119.26 127.97 2kh2 h ALA 115 Ca -0.41 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 53.95 2kh2 h ALA 115 Cb 1.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2kh2 h ALA 115 CO 0.75 0.63 -0.56 0.37 0.00 0.00 0.00 179.25 180.45 2kh2 h GLN 116 N 0.37 0.00 -3.02 0.00 4.15 -1.77 -3.38 115.11 111.46 2kh2 h GLN 116 Ca 0.03 0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.84 2kh2 h GLN 116 Cb 0.89 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 28.17 2kh2 h GLN 116 CO 0.07 0.56 -0.71 -0.06 -1.93 0.00 0.00 178.83 176.76 2kh2 s PHE 117 N -3.40 2.41 0.38 3.99 0.08 -1.06 -5.11 117.98 115.26 2kh2 s PHE 117 Ca 0.00 -2.72 -0.28 0.00 0.12 0.00 0.00 56.93 54.05 2kh2 s PHE 117 Cb 0.11 -2.12 -0.11 0.00 -0.57 0.00 0.00 43.02 40.33 2kh2 s PHE 117 CO 0.74 -0.74 1.49 -2.30 -0.10 0.00 0.00 175.22 174.31 2kh2 n PRO 118 N 3.11 2.68 -0.94 0.24 -0.02 -1.19 -2.07 135.00 136.82 2kh2 n PRO 118 Ca 0.12 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 2kh2 n PRO 118 Cb 0.35 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 2kh2 n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2kh2 n ASN 119 N 0.51 -0.92 -4.42 2.55 5.03 -1.26 -5.00 115.26 111.75 2kh2 n ASN 119 Ca 0.01 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.10 2kh2 n ASN 119 Cb 0.39 -0.59 -0.13 0.00 -1.02 0.00 0.00 39.78 38.43 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2kh2 s TRP 120 N -3.05 3.06 0.24 3.10 0.52 -0.88 -4.49 118.94 117.44 2kh2 s TRP 120 Ca 0.00 -0.52 0.11 0.00 0.02 0.00 0.00 56.10 55.71 2kh2 s TRP 120 Cb 0.00 -2.20 -0.05 0.00 -1.15 0.00 0.00 33.47 30.07 2kh2 s TRP 120 CO 0.00 -0.38 -0.21 0.71 0.02 0.00 0.00 176.95 177.09 2kh2 s TYR 121 N 1.53 2.24 0.00 -1.98 2.02 0.68 -0.97 117.35 120.88 2kh2 s TYR 121 Ca 0.06 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 56.10 2kh2 s TYR 121 Cb -0.15 -1.03 -0.06 0.00 -0.40 0.00 0.00 41.96 40.32 2kh2 s TYR 121 CO 0.02 0.61 1.57 0.42 -1.57 0.00 0.00 175.55 176.60 2kh2 s ILE 122 N -2.23 3.44 0.14 2.71 1.01 -0.52 -0.17 121.20 125.57 2kh2 s ILE 122 Ca 0.26 0.76 0.10 0.00 0.00 0.00 0.00 60.65 61.77 2kh2 s ILE 122 Cb -0.06 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 2kh2 s ILE 122 CO 0.12 -0.02 -0.23 -0.44 0.00 0.00 0.00 174.94 174.37 2kh2 s SER 123 N 2.52 2.98 0.04 3.58 0.01 0.24 -4.48 113.70 118.60 2kh2 s SER 123 Ca 0.70 -0.78 0.05 0.00 1.31 0.00 0.00 55.95 57.23 2kh2 s SER 123 Cb -0.35 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.67 2kh2 s SER 123 CO 0.29 0.08 -0.15 0.42 0.41 0.00 0.00 173.24 174.29 2kh2 s THR 124 N -1.44 1.22 0.67 1.44 -4.23 -0.82 -2.56 115.64 109.91 2kh2 s THR 124 Ca 0.14 -1.06 -0.06 0.00 -1.18 0.00 0.00 61.69 59.53 2kh2 s THR 124 Cb -0.09 -1.10 0.05 0.00 1.34 0.00 0.00 72.50 72.70 2kh2 s THR 124 CO 0.06 0.03 0.97 -0.44 -0.54 0.00 0.00 174.62 174.70 2kh2 s SER 125 N -1.19 5.02 0.25 3.99 0.01 -1.26 -0.14 113.70 120.38 2kh2 s SER 125 Ca 0.03 0.46 0.12 0.00 1.31 0.00 0.00 55.95 57.87 2kh2 s SER 125 Cb -0.08 -1.21 0.20 0.00 0.21 0.00 0.00 66.02 65.14 2kh2 s SER 125 CO 0.01 -1.44 1.50 1.56 0.41 0.00 0.00 173.24 175.29 2kh2 h GLN 126 N -0.44 0.00 -7.04 12.44 1.08 -1.97 -3.46 115.11 115.72 2kh2 h GLN 126 Ca -0.44 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.22 2kh2 h GLN 126 Cb 1.30 0.00 0.11 0.00 -0.05 0.00 0.00 27.48 28.84 2kh2 h GLN 126 CO 0.60 0.67 0.54 0.00 -0.95 0.00 0.00 178.83 179.69 2kh2 s ALA 127 N -3.21 2.83 0.29 3.87 0.00 -1.26 -4.99 121.76 119.28 2kh2 s ALA 127 Ca 0.01 1.14 -0.28 0.00 0.00 0.00 0.00 51.96 52.83 2kh2 s ALA 127 Cb 0.11 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 2kh2 s ALA 127 CO 0.76 -1.09 0.95 -2.00 0.00 0.00 0.00 175.76 174.38 2kh2 s GLU 128 N -2.89 4.70 -1.07 0.00 2.56 -1.26 -3.83 118.70 116.91 2kh2 s GLU 128 Ca 0.70 1.41 -0.05 0.00 0.00 0.00 0.00 54.97 57.03 2kh2 s GLU 128 Cb -0.35 -3.02 0.01 0.00 2.00 0.00 0.00 34.13 32.77 2kh2 s GLU 128 CO 0.41 0.38 0.62 -1.71 -0.56 0.00 0.00 175.26 174.40 2kh2 n ASN 129 N 0.98 -5.01 -4.81 -1.70 5.15 -1.01 -5.02 115.26 103.85 2kh2 n ASN 129 Ca 0.00 -0.29 -0.36 0.00 -0.60 0.00 0.00 54.58 53.33 2kh2 n ASN 129 Cb 0.49 -3.75 -0.07 0.00 -0.53 0.00 0.00 39.78 35.91 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 -5.62 3.33 0.97 1.20 -1.94 -1.18 -4.85 119.30 111.22 2kh2 s MET 130 Ca 0.31 -0.23 -0.11 0.00 -1.71 0.00 0.00 55.69 53.95 2kh2 s MET 130 Cb -0.14 -3.07 0.18 0.00 2.01 0.00 0.00 34.83 33.81 2kh2 s MET 130 CO 0.38 0.73 1.10 -2.14 -0.01 0.00 0.00 175.02 175.08 2kh2 s PRO 131 N -0.91 0.60 -0.17 2.03 0.02 -1.26 -0.96 135.00 134.36 2kh2 s PRO 131 Ca 0.14 1.23 -0.08 0.00 0.02 0.00 0.00 61.00 62.31 2kh2 s PRO 131 Cb -0.12 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.66 2kh2 s PRO 131 CO 0.03 -2.81 0.10 0.08 -0.33 0.00 0.00 177.00 174.07 2kh2 s VAL 132 N -2.65 5.15 0.24 3.83 1.01 -0.79 -4.62 120.40 122.57 2kh2 s VAL 132 Ca 0.66 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.78 2kh2 s VAL 132 Cb -0.22 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2kh2 s VAL 132 CO 0.60 0.50 0.18 2.22 0.00 0.00 0.00 175.10 178.60 2kh2 n PHE 133 N 3.03 -0.43 -3.66 5.22 1.16 -1.06 -4.89 117.46 116.84 2kh2 n PHE 133 Ca -0.17 -1.93 -0.37 0.00 -1.87 0.00 0.00 57.45 53.11 2kh2 n PHE 133 Cb 0.53 0.16 -0.09 0.00 -1.61 0.00 0.00 39.48 38.47 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 4.12 0.07 5.98 2.96 -1.26 -0.59 118.68 129.95 2kh2 s LEU 134 Ca 0.25 0.12 0.09 0.00 -0.22 0.00 0.00 54.13 54.37 2kh2 s LEU 134 Cb 0.01 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 2kh2 s LEU 134 CO 0.18 0.06 -0.23 -0.83 -1.32 0.00 0.00 176.35 174.22 2kh2 s GLY 135 N 1.05 1.53 -0.08 7.98 0.00 0.76 -4.87 107.32 113.69 2kh2 s GLY 135 Ca 0.08 -1.30 0.13 0.00 0.00 0.00 0.00 44.72 43.63 2kh2 s GLY 135 CO 0.04 -1.21 1.31 0.61 0.00 0.00 0.00 173.10 173.85 2kh2 n GLY 136 N 1.40 3.41 2.98 0.20 0.00 -1.26 -0.23 105.19 111.68 2kh2 n GLY 136 Ca -0.17 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 2kh2 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kh2 s THR 137 N -1.86 3.13 0.21 2.61 2.01 -1.26 -4.87 115.64 115.61 2kh2 s THR 137 Ca 0.30 -3.70 -0.30 0.00 0.31 0.00 0.00 61.69 58.31 2kh2 s THR 137 Cb 0.21 -3.06 -0.08 0.00 0.01 0.00 0.00 72.50 69.58 2kh2 s THR 137 CO 0.11 -0.93 1.16 -0.75 -0.69 0.00 0.00 174.62 173.52 2kh2 s LYS 138 N -0.83 4.54 0.00 4.92 2.20 -1.26 -3.01 119.74 126.29 2kh2 s LYS 138 Ca 0.21 1.83 0.00 0.00 -0.36 0.00 0.00 55.97 57.66 2kh2 s LYS 138 Cb -0.15 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 2kh2 s LYS 138 CO -0.08 0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 2kh2 n GLY 139 N 1.92 0.42 0.00 5.54 0.00 -1.26 -5.03 105.19 106.78 2kh2 n GLY 139 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.99 1.71 0.12 -0.02 0.00 -1.16 -5.01 105.19 97.84 2kh2 n GLY 140 Ca 0.00 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.14 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 0.33 -7.33 1.61 7.50 -1.96 -3.46 115.11 111.80 2kh2 h GLN 141 Ca 0.00 -0.43 -0.47 0.00 0.50 0.00 0.00 58.65 58.24 2kh2 h GLN 141 Cb 0.00 0.14 0.15 0.00 0.05 0.00 0.00 27.48 27.83 2kh2 h GLN 141 CO 0.00 1.14 0.22 -0.51 -1.50 0.00 0.00 178.83 178.18 2kh2 s ASP 142 N -6.79 3.06 -0.16 1.46 1.01 -1.26 -4.70 116.67 109.29 2kh2 s ASP 142 Ca -0.14 1.40 -0.08 0.00 0.71 0.00 0.00 52.55 54.44 2kh2 s ASP 142 Cb 0.02 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.83 2kh2 s ASP 142 CO 0.81 -2.89 0.12 -0.63 0.21 0.00 0.00 175.17 172.79 2kh2 s ILE 143 N -2.92 5.29 -0.11 0.77 1.01 0.81 -4.73 121.20 121.32 2kh2 s ILE 143 Ca 0.64 0.14 0.06 0.00 0.00 0.00 0.00 60.65 61.49 2kh2 s ILE 143 Cb -0.19 -3.36 -0.08 0.00 0.01 0.00 0.00 42.46 38.84 2kh2 s ILE 143 CO 0.57 0.52 0.17 0.35 0.00 0.00 0.00 174.94 176.56 2kh2 n THR 144 N 2.87 0.00 -3.53 2.92 -2.24 -1.26 -1.95 114.28 111.09 2kh2 n THR 144 Ca -0.18 -0.22 -0.38 0.00 -2.27 0.00 0.00 64.05 61.01 2kh2 n THR 144 Cb 0.53 0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 69.30 2kh2 n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2kh2 s ASP 145 N -2.26 6.76 0.34 3.42 -4.77 -1.26 -4.22 116.67 114.68 2kh2 s ASP 145 Ca -0.01 0.91 0.05 0.00 -3.30 0.00 0.00 52.55 50.21 2kh2 s ASP 145 Cb 0.04 -2.23 -0.03 0.00 -1.09 0.00 0.00 42.92 39.61 2kh2 s ASP 145 CO 0.24 0.31 0.22 -0.36 0.70 0.00 0.00 175.17 176.29 2kh2 s PHE 146 N -1.12 1.70 0.06 2.11 0.08 0.15 -3.44 117.98 117.53 2kh2 s PHE 146 Ca 0.24 -1.53 0.06 0.00 0.12 0.00 0.00 56.93 55.82 2kh2 s PHE 146 Cb -0.16 -0.82 -0.03 0.00 -0.57 0.00 0.00 43.02 41.45 2kh2 s PHE 146 CO 0.13 -0.69 -0.17 0.95 -0.10 0.00 0.00 175.22 175.34 2kh2 s THR 147 N -3.47 1.35 -0.51 0.64 -4.23 0.47 -0.67 115.64 109.22 2kh2 s THR 147 Ca 0.36 -1.25 -0.10 0.00 -1.18 0.00 0.00 61.69 59.53 2kh2 s THR 147 Cb 0.03 -1.23 0.13 0.00 1.34 0.00 0.00 72.50 72.77 2kh2 s THR 147 CO 0.22 -0.04 0.39 -0.32 -0.54 0.00 0.00 174.62 174.33 2kh2 s MET 148 N -1.50 2.60 -0.72 3.99 1.75 -1.26 -3.22 119.30 120.94 2kh2 s MET 148 Ca 0.03 -1.86 -0.21 0.00 -1.25 0.00 0.00 55.69 52.40 2kh2 s MET 148 Cb -0.09 -3.98 0.10 0.00 2.84 0.00 0.00 34.83 33.70 2kh2 s MET 148 CO 0.02 -1.21 0.94 -0.65 -0.65 0.00 0.00 175.02 173.48 2kh2 s GLN 149 N 1.20 3.23 0.02 4.11 1.11 -0.39 -4.91 119.66 124.03 2kh2 s GLN 149 Ca 0.07 -1.22 -0.30 0.00 0.01 0.00 0.00 55.36 53.92 2kh2 s GLN 149 Cb -0.25 -4.43 -0.08 0.00 -1.01 0.00 0.00 33.01 27.24 2kh2 s GLN 149 CO -0.01 -1.73 1.92 -0.06 0.01 0.00 0.00 175.29 175.41 2kh2 s PHE 150 N 3.31 1.40 0.51 0.91 0.08 -1.26 -2.37 117.98 120.56 2kh2 s PHE 150 Ca 0.22 -0.36 0.07 0.00 0.12 0.00 0.00 56.93 56.99 2kh2 s PHE 150 Cb -0.15 -4.19 0.03 0.00 -0.57 0.00 0.00 43.02 38.13 2kh2 s PHE 150 CO 0.04 -5.30 0.49 0.14 -0.10 0.00 0.00 175.22 170.48 2kh2 s VAL 151 N 4.37 2.09 0.00 -0.44 -7.23 -1.23 -5.02 120.40 112.94 2kh2 s VAL 151 Ca 0.86 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 2kh2 s VAL 151 Cb -0.41 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.11 2kh2 s VAL 151 CO 0.40 0.00 0.80 -1.54 -0.31 0.00 0.00 175.10 174.44 2kh2 n SER 152 N -1.81 1.52 0.00 4.85 3.41 -1.26 -4.92 113.62 115.41 2kh2 n SER 152 Ca 0.04 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.02 2kh2 n SER 152 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68