#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 0.52 -6.12 0.00 0.11 -2.06 -3.44 132.00 121.00 2kh2 h PRO 2 Ca 0.00 -0.44 -0.68 0.00 0.11 0.00 0.00 66.00 64.98 2kh2 h PRO 2 Cb 0.00 0.10 -0.24 0.00 0.11 0.00 0.00 31.00 30.97 2kh2 h PRO 2 CO 0.00 1.08 -0.77 0.54 -0.21 0.00 0.00 178.00 178.64 2kh2 s VAL 3 N -3.59 3.06 -0.07 3.15 0.11 -1.26 -5.07 120.40 116.74 2kh2 s VAL 3 Ca -0.13 -0.71 -0.25 0.00 -2.93 0.00 0.00 61.98 57.96 2kh2 s VAL 3 Cb 0.05 -2.21 -0.03 0.00 -1.53 0.00 0.00 36.38 32.66 2kh2 s VAL 3 CO 0.83 0.58 0.78 -0.13 -3.33 0.00 0.00 175.10 173.83 2kh2 s ARG 4 N -0.52 4.44 -0.03 1.54 0.52 -1.26 -4.98 118.95 118.66 2kh2 s ARG 4 Ca 0.07 1.01 -0.00 0.00 -0.52 0.00 0.00 55.73 56.29 2kh2 s ARG 4 Cb -0.12 -3.47 0.03 0.00 0.52 0.00 0.00 34.95 31.91 2kh2 s ARG 4 CO 0.02 -0.02 0.02 -1.12 0.02 0.00 0.00 175.30 174.22 2kh2 s SER 5 N 0.90 0.30 0.33 0.23 0.01 -1.26 -0.92 113.70 113.29 2kh2 s SER 5 Ca 0.41 0.02 0.09 0.00 1.31 0.00 0.00 55.95 57.77 2kh2 s SER 5 Cb -0.18 -0.13 -0.06 0.00 0.21 0.00 0.00 66.02 65.85 2kh2 s SER 5 CO 0.19 -0.13 -0.09 -1.48 0.41 0.00 0.00 173.24 172.14 2kh2 s LEU 6 N 1.15 2.69 -0.06 2.44 0.05 -0.17 -4.94 118.68 119.84 2kh2 s LEU 6 Ca -0.08 -1.20 0.06 0.00 0.05 0.00 0.00 54.13 52.96 2kh2 s LEU 6 Cb -0.13 -0.93 -0.01 0.00 -2.05 0.00 0.00 46.19 43.07 2kh2 s LEU 6 CO -0.03 -0.23 -0.25 0.20 -0.55 0.00 0.00 176.35 175.49 2kh2 s ASN 7 N -3.58 3.07 0.19 1.48 0.01 -1.26 -0.02 114.94 114.82 2kh2 s ASN 7 Ca 0.32 -0.51 -0.17 0.00 -0.71 0.00 0.00 52.86 51.79 2kh2 s ASN 7 Cb 0.03 -0.83 0.02 0.00 0.41 0.00 0.00 41.25 40.88 2kh2 s ASN 7 CO 0.16 0.25 0.50 0.00 -1.51 0.00 0.00 177.10 176.49 2kh2 s THR 9 N -3.88 3.06 -0.22 0.00 2.01 0.26 -0.72 115.64 116.16 2kh2 s THR 9 Ca 0.10 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.29 2kh2 s THR 9 Cb -0.00 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 2kh2 s THR 9 CO -0.03 0.51 0.39 -0.76 -0.69 0.00 0.00 174.62 174.04 2kh2 s LEU 10 N 0.54 4.12 -0.04 4.42 1.43 -1.26 -2.33 118.68 125.56 2kh2 s LEU 10 Ca -0.08 0.44 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 2kh2 s LEU 10 Cb -0.16 -2.48 -0.00 0.00 0.03 0.00 0.00 46.19 43.58 2kh2 s LEU 10 CO 0.04 -0.11 -0.17 -0.13 0.23 0.00 0.00 176.35 176.21 2kh2 s ARG 11 N 1.54 1.66 0.87 1.70 1.81 -1.22 -4.31 118.95 121.02 2kh2 s ARG 11 Ca 0.18 -0.59 -0.15 0.00 -1.72 0.00 0.00 55.73 53.45 2kh2 s ARG 11 Cb -0.15 -1.47 0.20 0.00 -0.45 0.00 0.00 34.95 33.08 2kh2 s ARG 11 CO 0.08 0.25 1.17 -0.40 -0.68 0.00 0.00 175.30 175.72 2kh2 n ASP 12 N 3.08 0.00 0.05 0.23 5.75 -1.24 -0.34 116.55 124.08 2kh2 n ASP 12 Ca -0.18 -1.41 0.07 0.00 -0.01 0.00 0.00 54.79 53.26 2kh2 n ASP 12 Cb 0.53 -0.90 0.30 0.00 -1.03 0.00 0.00 41.12 40.03 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2kh2 n SER 13 N -3.80 0.23 -1.18 -1.12 3.41 -1.25 -0.88 113.62 109.04 2kh2 n SER 13 Ca 0.15 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.46 2kh2 n SER 13 Cb 0.51 -0.62 0.22 0.00 -0.26 0.00 0.00 64.21 64.06 2kh2 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kh2 n GLN 14 N -1.78 2.54 -2.99 4.33 1.13 -1.26 -4.95 117.38 114.40 2kh2 n GLN 14 Ca 0.01 -2.33 -0.21 0.00 -1.94 0.00 0.00 57.00 52.53 2kh2 n GLN 14 Cb 0.11 -1.52 0.04 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 1.52 -4.74 -2.69 -1.09 1.13 -0.05 -4.99 117.38 106.47 2kh2 n GLN 15 Ca 0.20 0.87 -0.31 0.00 -1.94 0.00 0.00 57.00 55.82 2kh2 n GLN 15 Cb 0.61 -5.65 -0.03 0.00 0.11 0.00 0.00 30.24 25.28 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 -5.66 3.84 -0.04 -1.09 1.02 -1.26 -4.50 119.74 112.06 2kh2 s LYS 16 Ca 0.29 0.65 0.06 0.00 0.02 0.00 0.00 55.97 56.99 2kh2 s LYS 16 Cb -0.13 -2.30 -0.02 0.00 -0.52 0.00 0.00 37.83 34.86 2kh2 s LYS 16 CO 0.36 -0.12 -0.19 -1.12 -0.92 0.00 0.00 175.35 173.36 2kh2 s SER 17 N -3.12 3.61 -0.17 2.83 0.01 0.14 -3.62 113.70 113.39 2kh2 s SER 17 Ca 0.54 -0.32 -0.26 0.00 1.31 0.00 0.00 55.95 57.23 2kh2 s SER 17 Cb -0.10 -0.63 -0.01 0.00 0.21 0.00 0.00 66.02 65.49 2kh2 s SER 17 CO 0.31 0.33 0.86 -0.76 0.41 0.00 0.00 173.24 174.40 2kh2 s LEU 18 N -0.69 4.18 0.11 2.44 1.43 -1.26 -2.16 118.68 122.73 2kh2 s LEU 18 Ca 0.11 1.22 0.09 0.00 -1.03 0.00 0.00 54.13 54.52 2kh2 s LEU 18 Cb -0.10 -3.29 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 2kh2 s LEU 18 CO -0.00 -0.42 -0.22 0.68 0.23 0.00 0.00 176.35 176.62 2kh2 s VAL 19 N 2.19 1.82 -0.56 -1.59 -7.23 0.13 -1.06 120.40 114.10 2kh2 s VAL 19 Ca 0.40 -1.62 -0.28 0.00 -1.81 0.00 0.00 61.98 58.66 2kh2 s VAL 19 Cb -0.17 -1.66 0.02 0.00 0.56 0.00 0.00 36.38 35.14 2kh2 s VAL 19 CO 0.13 -0.06 1.27 -0.04 -0.31 0.00 0.00 175.10 176.09 2kh2 s MET 20 N -2.03 3.46 0.00 4.82 -1.94 -1.26 -0.90 119.30 121.45 2kh2 s MET 20 Ca 0.09 0.36 0.00 0.00 -1.71 0.00 0.00 55.69 54.43 2kh2 s MET 20 Cb -0.10 -4.05 0.00 0.00 2.01 0.00 0.00 34.83 32.70 2kh2 s MET 20 CO 0.05 -1.75 0.00 0.45 -0.01 0.00 0.00 175.02 173.77 2kh2 n SER 21 N 8.80 0.00 -3.10 3.03 2.88 0.46 -4.95 113.62 120.74 2kh2 n SER 21 Ca 0.10 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.53 2kh2 n SER 21 Cb 0.49 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.01 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 2.59 0.21 0.33 0.46 0.00 -1.21 -4.90 105.19 102.67 2kh2 n GLY 22 Ca 0.00 -1.91 0.15 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.65 1.61 0.13 -2.04 -2.95 132.00 128.11 2kh2 h PRO 23 Ca -0.16 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.65 2kh2 h PRO 23 Cb 0.56 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.28 2kh2 h PRO 23 CO 0.16 0.00 -1.09 0.66 -0.23 0.00 0.00 178.00 177.49 2kh2 n TYR 24 N -4.44 1.47 -3.93 1.56 4.01 -1.26 -5.08 117.16 109.48 2kh2 n TYR 24 Ca 0.04 -2.35 -0.12 0.00 -0.16 0.00 0.00 57.90 55.31 2kh2 n TYR 24 Cb 0.38 -0.27 -0.13 0.00 -0.31 0.00 0.00 39.34 39.00 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 -3.61 0.13 -0.03 -0.72 2.12 -1.12 -4.52 118.70 110.96 2kh2 s GLU 25 Ca 0.30 -0.16 0.06 0.00 0.36 0.00 0.00 54.97 55.53 2kh2 s GLU 25 Cb 0.37 -0.04 -0.01 0.00 0.26 0.00 0.00 34.13 34.70 2kh2 s GLU 25 CO -0.02 0.01 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.98 2kh2 s LEU 26 N -0.34 2.02 0.09 2.70 1.43 -1.26 -0.40 118.68 122.92 2kh2 s LEU 26 Ca -0.03 -0.41 0.10 0.00 -1.03 0.00 0.00 54.13 52.75 2kh2 s LEU 26 Cb -0.02 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 2kh2 s LEU 26 CO -0.00 0.24 -0.26 -0.54 0.23 0.00 0.00 176.35 176.02 2kh2 s LYS 27 N -0.32 1.52 -0.29 1.70 1.02 -0.08 -3.55 119.74 119.73 2kh2 s LYS 27 Ca 0.03 -1.20 -0.01 0.00 0.02 0.00 0.00 55.97 54.81 2kh2 s LYS 27 Cb -0.10 -1.84 0.05 0.00 -0.52 0.00 0.00 37.83 35.42 2kh2 s LYS 27 CO 0.01 0.45 -0.01 0.00 -0.92 0.00 0.00 175.35 174.88 2kh2 s ALA 28 N -0.95 2.79 0.22 5.17 0.00 -0.22 -0.70 121.76 128.08 2kh2 s ALA 28 Ca 0.12 -1.73 -0.00 0.00 0.00 0.00 0.00 51.96 50.34 2kh2 s ALA 28 Cb -0.10 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 2kh2 s ALA 28 CO 0.04 -1.23 0.11 -0.48 0.00 0.00 0.00 175.76 174.20 2kh2 s LEU 29 N 1.25 1.36 0.22 0.00 0.05 -0.92 -3.26 118.68 117.38 2kh2 s LEU 29 Ca -0.05 -1.38 -0.30 0.00 0.05 0.00 0.00 54.13 52.45 2kh2 s LEU 29 Cb -0.20 0.24 -0.08 0.00 -2.05 0.00 0.00 46.19 44.10 2kh2 s LEU 29 CO -0.02 -0.79 1.13 -1.00 -0.55 0.00 0.00 176.35 175.13 2kh2 s HIS 30 N -4.00 3.52 -0.23 3.48 3.76 -1.26 0.29 115.29 120.84 2kh2 s HIS 30 Ca 0.38 1.58 -0.03 0.00 -0.15 0.00 0.00 55.06 56.83 2kh2 s HIS 30 Cb 0.07 -3.34 0.08 0.00 1.11 0.00 0.00 32.58 30.50 2kh2 s HIS 30 CO 0.12 -0.80 0.08 -1.17 -0.85 0.00 0.00 174.74 172.12 2kh2 s LEU 31 N -0.74 1.08 -0.26 0.89 2.96 -1.26 -4.89 118.68 116.47 2kh2 s LEU 31 Ca 0.49 -1.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 2kh2 s LEU 31 Cb -0.32 -0.53 0.10 0.00 0.50 0.00 0.00 46.19 45.95 2kh2 s LEU 31 CO 0.38 -0.36 0.16 -1.10 -1.32 0.00 0.00 176.35 174.11 2kh2 s GLN 32 N 1.92 0.19 0.00 1.98 -1.52 -1.26 -4.94 119.66 116.03 2kh2 s GLN 32 Ca 0.04 -0.31 0.00 0.00 -1.95 0.00 0.00 55.36 53.13 2kh2 s GLN 32 Cb -0.17 -1.19 0.00 0.00 -0.22 0.00 0.00 33.01 31.44 2kh2 s GLN 32 CO -0.17 -0.93 0.00 0.41 -0.25 0.00 0.00 175.29 174.35 2kh2 n GLY 33 N 5.27 0.24 0.25 3.09 0.00 -1.26 -4.87 105.19 107.92 2kh2 n GLY 33 Ca -0.05 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 44.74 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 1.32 -0.24 1.61 -0.06 -1.26 -3.37 117.38 115.38 2kh2 n GLN 34 Ca 0.00 -0.49 0.09 0.00 -2.00 0.00 0.00 57.00 54.60 2kh2 n GLN 34 Cb 0.00 -1.29 0.24 0.00 -4.06 0.00 0.00 30.24 25.13 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 -0.26 2.70 0.04 1.69 9.92 -1.26 -4.30 116.55 125.08 2kh2 n ASP 35 Ca 0.13 -1.97 0.07 0.00 -0.53 0.00 0.00 54.79 52.48 2kh2 n ASP 35 Cb 0.17 -0.32 0.49 0.00 -0.64 0.00 0.00 41.12 40.82 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 3.04 0.39 0.00 -1.24 4.05 -1.92 -1.72 114.93 117.53 2kh2 h MET 36 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2kh2 h MET 36 Cb 0.69 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.40 2kh2 h MET 36 CO 0.00 0.26 0.00 0.39 0.23 0.00 0.00 176.91 177.79 2kh2 n GLU 37 N -4.48 0.50 0.00 0.39 -0.58 -1.26 -2.37 120.64 112.83 2kh2 n GLU 37 Ca 0.03 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.90 2kh2 n GLU 37 Cb 0.14 -1.49 0.36 0.00 -0.57 0.00 0.00 31.44 29.88 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 -0.99 0.56 -1.65 3.49 6.02 -0.65 -4.92 117.38 119.24 2kh2 n GLN 38 Ca 0.12 -0.32 -0.30 0.00 -0.01 0.00 0.00 57.00 56.49 2kh2 n GLN 38 Cb 0.05 -1.49 0.07 0.00 1.02 0.00 0.00 30.24 29.89 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 -2.66 2.40 -0.02 -1.09 -2.07 -1.00 -4.38 119.66 110.85 2kh2 s GLN 39 Ca 0.20 0.62 0.02 0.00 -1.82 0.00 0.00 55.36 54.38 2kh2 s GLN 39 Cb 0.19 -1.96 -0.03 0.00 -1.09 0.00 0.00 33.01 30.12 2kh2 s GLN 39 CO 0.57 -1.39 -0.05 0.08 -1.32 0.00 0.00 175.29 173.18 2kh2 s VAL 40 N -3.21 3.78 -0.17 3.63 1.01 -0.22 -4.94 120.40 120.28 2kh2 s VAL 40 Ca 0.60 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 2kh2 s VAL 40 Cb -0.13 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2kh2 s VAL 40 CO 0.54 0.45 0.06 -0.69 0.00 0.00 0.00 175.10 175.45 2kh2 s VAL 41 N -0.96 4.74 -0.12 2.92 1.01 -1.26 -4.73 120.40 122.00 2kh2 s VAL 41 Ca 0.16 -0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 2kh2 s VAL 41 Cb -0.11 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2kh2 s VAL 41 CO 0.06 0.48 0.15 -0.36 0.00 0.00 0.00 175.10 175.43 2kh2 s PHE 42 N 0.23 3.60 -0.23 5.22 0.40 0.11 -1.68 117.98 125.63 2kh2 s PHE 42 Ca 0.04 0.54 -0.12 0.00 -0.60 0.00 0.00 56.93 56.79 2kh2 s PHE 42 Cb -0.12 -1.96 -0.05 0.00 0.51 0.00 0.00 43.02 41.40 2kh2 s PHE 42 CO 0.00 0.73 0.21 -1.12 0.70 0.00 0.00 175.22 175.74 2kh2 s SER 43 N -1.00 6.20 -0.32 1.36 0.01 0.54 -1.17 113.70 119.32 2kh2 s SER 43 Ca 0.15 0.21 -0.10 0.00 1.31 0.00 0.00 55.95 57.52 2kh2 s SER 43 Cb -0.12 -2.13 -0.00 0.00 0.21 0.00 0.00 66.02 63.97 2kh2 s SER 43 CO 0.04 0.05 0.17 -0.04 0.41 0.00 0.00 173.24 173.87 2kh2 s MET 44 N 1.01 3.28 -0.12 12.44 -1.94 0.97 -2.41 119.30 132.53 2kh2 s MET 44 Ca 0.10 -0.76 -0.07 0.00 -1.71 0.00 0.00 55.69 53.25 2kh2 s MET 44 Cb -0.13 -3.61 -0.04 0.00 2.01 0.00 0.00 34.83 33.06 2kh2 s MET 44 CO 0.04 -0.46 0.13 -1.12 -0.01 0.00 0.00 175.02 173.61 2kh2 s SER 45 N 1.62 6.29 -0.87 3.03 0.01 -1.15 -1.00 113.70 121.62 2kh2 s SER 45 Ca 0.04 0.43 -0.24 0.00 1.31 0.00 0.00 55.95 57.49 2kh2 s SER 45 Cb -0.17 -2.03 0.06 0.00 0.21 0.00 0.00 66.02 64.08 2kh2 s SER 45 CO 0.07 0.39 1.28 -0.36 0.41 0.00 0.00 173.24 175.03 2kh2 s PHE 46 N -0.90 2.56 0.00 2.43 0.40 -0.09 -1.54 117.98 120.83 2kh2 s PHE 46 Ca 0.14 -0.63 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 2kh2 s PHE 46 Cb -0.12 -4.56 0.00 0.00 0.51 0.00 0.00 43.02 38.85 2kh2 s PHE 46 CO 0.03 -1.88 0.00 1.33 0.70 0.00 0.00 175.22 175.40 2kh2 n VAL 47 N 6.39 0.00 -3.94 -0.44 0.24 -1.21 -4.70 118.33 114.68 2kh2 n VAL 47 Ca 0.17 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.17 2kh2 n VAL 47 Cb 0.49 -2.00 -0.15 0.00 -1.47 0.00 0.00 33.84 30.71 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 -1.81 1.54 0.00 7.34 2.00 -1.12 -4.94 119.66 122.66 2kh2 s GLN 48 Ca 0.00 -1.14 0.00 0.00 -2.00 0.00 0.00 55.36 52.22 2kh2 s GLN 48 Cb 0.00 -2.63 0.00 0.00 0.80 0.00 0.00 33.01 31.18 2kh2 s GLN 48 CO 0.00 -0.69 0.00 0.41 -0.50 0.00 0.00 175.29 174.51 2kh2 n GLY 49 N 4.62 3.50 3.40 2.59 0.00 -1.26 -4.94 105.19 113.11 2kh2 n GLY 49 Ca -0.09 -0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.34 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 3.95 3.07 -0.87 1.61 2.56 -1.26 -4.99 118.70 122.77 2kh2 s GLU 50 Ca 0.00 -1.15 -0.13 0.00 0.00 0.00 0.00 54.97 53.69 2kh2 s GLU 50 Cb 0.00 -4.22 0.23 0.00 2.00 0.00 0.00 34.13 32.13 2kh2 s GLU 50 CO 0.00 -1.52 0.82 -1.21 -0.56 0.00 0.00 175.26 172.79 2kh2 s GLU 51 N 2.89 3.69 0.00 4.30 2.02 -1.26 -4.01 118.70 126.32 2kh2 s GLU 51 Ca 0.14 -2.57 0.00 0.00 0.02 0.00 0.00 54.97 52.56 2kh2 s GLU 51 Cb -0.22 -4.45 0.00 0.00 0.10 0.00 0.00 34.13 29.56 2kh2 s GLU 51 CO 0.08 -1.28 0.00 -1.13 0.02 0.00 0.00 175.26 172.95 2kh2 n SER 52 N 3.79 0.00 0.12 -0.19 3.41 -0.31 -5.00 113.62 115.44 2kh2 n SER 52 Ca 0.15 -0.19 0.12 0.00 -0.26 0.00 0.00 58.87 58.69 2kh2 n SER 52 Cb 0.46 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.47 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 -2.01 -3.40 115.58 118.42 2kh2 h ASN 53 Ca 0.00 -0.03 -0.10 0.00 1.21 0.00 0.00 56.30 57.38 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 -1.35 -0.90 -1.29 0.00 0.00 177.43 173.90 2kh2 n ASP 54 N -2.68 2.96 -4.55 5.81 5.75 -1.26 -4.97 116.55 117.61 2kh2 n ASP 54 Ca 0.01 -0.01 -0.41 0.00 -0.01 0.00 0.00 54.79 54.37 2kh2 n ASP 54 Cb 0.53 -0.11 -0.09 0.00 -1.03 0.00 0.00 41.12 40.42 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2kh2 s LYS 55 N -2.12 3.60 -0.16 0.11 2.20 -1.26 -2.62 119.74 119.49 2kh2 s LYS 55 Ca -0.08 -0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.24 2kh2 s LYS 55 Cb 0.02 -3.80 0.01 0.00 -1.51 0.00 0.00 37.83 32.55 2kh2 s LYS 55 CO 0.14 -0.56 -0.17 0.42 -0.36 0.00 0.00 175.35 174.82 2kh2 s ILE 56 N 2.17 2.44 -0.30 5.43 -1.09 0.07 -1.16 121.20 128.75 2kh2 s ILE 56 Ca 0.15 -0.84 -0.28 0.00 -2.23 0.00 0.00 60.65 57.45 2kh2 s ILE 56 Cb -0.16 -2.02 0.01 0.00 -1.58 0.00 0.00 42.46 38.71 2kh2 s ILE 56 CO 0.12 0.52 1.03 -2.16 -1.23 0.00 0.00 174.94 173.22 2kh2 s PRO 57 N 0.99 4.09 0.12 2.79 0.04 -1.26 -0.62 135.00 141.15 2kh2 s PRO 57 Ca -0.02 1.06 -0.00 0.00 0.04 0.00 0.00 61.00 62.08 2kh2 s PRO 57 Cb -0.15 -3.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.64 2kh2 s PRO 57 CO -0.04 -0.82 0.01 0.14 0.04 0.00 0.00 177.00 176.34 2kh2 s VAL 58 N 3.46 0.31 0.06 -0.36 -7.23 -0.20 -3.33 120.40 113.11 2kh2 s VAL 58 Ca 0.43 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 2kh2 s VAL 58 Cb -0.13 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 2kh2 s VAL 58 CO 0.13 -0.62 0.18 0.00 -0.31 0.00 0.00 175.10 174.48 2kh2 s ALA 59 N -3.90 3.91 -0.33 1.32 0.00 -0.59 -0.27 121.76 121.90 2kh2 s ALA 59 Ca 0.19 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.32 2kh2 s ALA 59 Cb 0.07 -1.75 0.09 0.00 0.00 0.00 0.00 23.12 21.54 2kh2 s ALA 59 CO -0.01 0.80 0.03 -0.51 0.00 0.00 0.00 175.76 176.08 2kh2 s LEU 60 N -2.42 4.43 0.29 0.00 1.43 -1.26 -2.95 118.68 118.20 2kh2 s LEU 60 Ca 0.33 -2.03 0.07 0.00 -1.03 0.00 0.00 54.13 51.48 2kh2 s LEU 60 Cb -0.13 -1.57 -0.06 0.00 0.03 0.00 0.00 46.19 44.47 2kh2 s LEU 60 CO 0.26 -0.36 -0.07 -0.83 0.23 0.00 0.00 176.35 175.58 2kh2 s GLY 61 N 0.98 1.90 0.27 -3.19 0.00 -1.01 -1.69 107.32 104.58 2kh2 s GLY 61 Ca 0.08 -1.94 -0.21 0.00 0.00 0.00 0.00 44.72 42.66 2kh2 s GLY 61 CO -0.09 -1.88 0.79 1.08 0.00 0.00 0.00 173.10 173.01 2kh2 s LEU 62 N -3.48 4.29 -0.26 0.66 1.02 -0.77 -0.34 118.68 119.81 2kh2 s LEU 62 Ca 0.30 1.53 -0.37 0.00 0.02 0.00 0.00 54.13 55.61 2kh2 s LEU 62 Cb 0.03 -3.79 -0.13 0.00 0.02 0.00 0.00 46.19 42.32 2kh2 s LEU 62 CO 0.13 -0.04 1.95 1.17 0.02 0.00 0.00 176.35 179.58 2kh2 n LYS 63 N 0.51 1.36 -4.18 1.70 4.81 -0.67 -1.67 118.16 120.01 2kh2 n LYS 63 Ca -0.00 0.46 -0.35 0.00 -0.87 0.00 0.00 58.31 57.55 2kh2 n LYS 63 Cb 0.51 -2.36 -0.02 0.00 0.02 0.00 0.00 35.03 33.18 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 6.74 -3.37 -4.11 1.64 0.00 -1.26 -4.96 120.64 115.32 2kh2 n GLU 64 Ca 0.31 0.39 -0.15 0.00 0.00 0.00 0.00 57.16 57.71 2kh2 n GLU 64 Cb 0.20 -5.09 -0.12 0.00 0.00 0.00 0.00 31.44 26.44 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 -6.88 0.64 -0.07 3.44 1.02 -0.67 -5.02 119.74 112.18 2kh2 s LYS 65 Ca 0.68 -0.80 0.05 0.00 0.02 0.00 0.00 55.97 55.92 2kh2 s LYS 65 Cb -0.37 -0.50 0.27 0.00 -0.52 0.00 0.00 37.83 36.71 2kh2 s LYS 65 CO 0.92 0.10 0.92 0.27 -0.92 0.00 0.00 175.35 176.64 2kh2 n ASN 66 N 1.47 2.49 -4.54 2.83 6.94 -1.26 -4.38 115.26 118.81 2kh2 n ASN 66 Ca -0.22 -2.29 -0.38 0.00 -0.02 0.00 0.00 54.58 51.67 2kh2 n ASN 66 Cb 0.55 -0.54 -0.11 0.00 -2.36 0.00 0.00 39.78 37.31 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 -0.90 4.05 0.15 -4.53 1.43 -1.26 -1.03 118.68 116.58 2kh2 s LEU 67 Ca 0.18 -0.16 0.09 0.00 -1.03 0.00 0.00 54.13 53.21 2kh2 s LEU 67 Cb 0.13 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2kh2 s LEU 67 CO 0.05 -0.10 -0.21 -0.31 0.23 0.00 0.00 176.35 176.01 2kh2 s TYR 68 N 1.72 1.98 -0.21 0.29 1.51 -0.08 -1.84 117.35 120.72 2kh2 s TYR 68 Ca 0.07 -0.42 -0.29 0.00 -1.01 0.00 0.00 57.07 55.42 2kh2 s TYR 68 Cb -0.16 -1.02 -0.01 0.00 -0.11 0.00 0.00 41.96 40.66 2kh2 s TYR 68 CO 0.09 0.34 1.31 -0.51 -1.11 0.00 0.00 175.55 175.67 2kh2 s LEU 69 N -2.38 4.07 -0.11 -1.29 1.43 -0.68 -0.65 118.68 119.07 2kh2 s LEU 69 Ca 0.14 1.54 -0.01 0.00 -1.03 0.00 0.00 54.13 54.77 2kh2 s LEU 69 Cb -0.08 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 2kh2 s LEU 69 CO 0.07 -0.90 -0.07 -0.55 0.23 0.00 0.00 176.35 175.13 2kh2 s SER 70 N 2.41 4.61 -0.40 2.29 0.15 0.76 -4.54 113.70 118.98 2kh2 s SER 70 Ca 0.57 -0.10 -0.10 0.00 0.70 0.00 0.00 55.95 57.01 2kh2 s SER 70 Cb -0.20 -1.44 0.05 0.00 -1.71 0.00 0.00 66.02 62.72 2kh2 s SER 70 CO 0.19 0.27 0.24 0.00 1.20 0.00 0.00 173.24 175.13 2kh2 s VAL 72 N 1.49 0.85 -0.25 0.00 -7.23 -0.62 -4.66 120.40 109.97 2kh2 s VAL 72 Ca 0.02 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.10 2kh2 s VAL 72 Cb -0.21 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2kh2 s VAL 72 CO 0.04 -0.48 0.11 -0.22 -0.31 0.00 0.00 175.10 174.25 2kh2 s LEU 73 N -3.21 3.70 -0.01 1.32 2.96 -1.26 0.65 118.68 122.83 2kh2 s LEU 73 Ca 0.24 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 2kh2 s LEU 73 Cb 0.05 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.75 2kh2 s LEU 73 CO 0.05 -0.01 -0.00 -0.54 -1.32 0.00 0.00 176.35 174.53 2kh2 s LYS 74 N 1.48 0.08 -1.33 1.98 1.02 0.11 -4.85 119.74 118.23 2kh2 s LYS 74 Ca 0.06 0.02 -0.06 0.00 0.02 0.00 0.00 55.97 56.01 2kh2 s LYS 74 Cb -0.15 -0.16 0.02 0.00 -0.52 0.00 0.00 37.83 37.01 2kh2 s LYS 74 CO 0.06 -0.04 1.07 -3.47 -0.92 0.00 0.00 175.35 172.05 2kh2 n ASP 75 N 3.42 -4.56 -0.94 2.83 -0.08 -1.26 -1.72 116.55 114.24 2kh2 n ASP 75 Ca -0.17 -0.61 -0.12 0.00 -1.51 0.00 0.00 54.79 52.37 2kh2 n ASP 75 Cb 0.57 -4.85 -0.05 0.00 2.34 0.00 0.00 41.12 39.13 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 -3.03 -5.28 -3.82 1.67 10.43 -1.26 -4.97 116.55 110.28 2kh2 n ASP 76 Ca -0.10 0.30 -0.13 0.00 2.57 0.00 0.00 54.79 57.44 2kh2 n ASP 76 Cb 0.60 -3.86 -0.14 0.00 1.84 0.00 0.00 41.12 39.56 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 2kh2 s LYS 77 N -2.94 0.03 -0.03 -1.24 2.47 -0.70 -5.12 119.74 112.21 2kh2 s LYS 77 Ca 0.00 0.12 -0.30 0.00 -1.56 0.00 0.00 55.97 54.23 2kh2 s LYS 77 Cb 0.00 -0.06 -0.05 0.00 -1.46 0.00 0.00 37.83 36.26 2kh2 s LYS 77 CO 0.00 -0.06 1.52 -2.14 0.16 0.00 0.00 175.35 174.83 2kh2 s PRO 78 N 0.39 4.23 0.12 4.03 0.02 -1.26 -0.72 135.00 141.81 2kh2 s PRO 78 Ca -0.03 2.06 0.06 0.00 0.02 0.00 0.00 61.00 63.12 2kh2 s PRO 78 Cb -0.04 -3.76 -0.04 0.00 0.02 0.00 0.00 34.50 30.68 2kh2 s PRO 78 CO -0.01 -0.72 -0.15 0.99 -0.33 0.00 0.00 177.00 176.78 2kh2 s THR 79 N 3.20 1.40 -0.03 0.99 2.01 0.21 -4.65 115.64 118.76 2kh2 s THR 79 Ca 0.68 -1.68 -0.03 0.00 0.31 0.00 0.00 61.69 60.97 2kh2 s THR 79 Cb -0.32 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 2kh2 s THR 79 CO 0.27 -0.35 0.17 -0.22 -0.69 0.00 0.00 174.62 173.80 2kh2 s LEU 80 N -2.34 4.35 0.27 4.42 2.96 -1.26 -1.59 118.68 125.49 2kh2 s LEU 80 Ca 0.08 0.36 -0.15 0.00 -0.22 0.00 0.00 54.13 54.19 2kh2 s LEU 80 Cb -0.06 -2.52 0.01 0.00 0.50 0.00 0.00 46.19 44.12 2kh2 s LEU 80 CO 0.03 0.28 0.59 0.00 -1.32 0.00 0.00 176.35 175.94 2kh2 s GLN 81 N -1.80 1.71 -0.39 1.98 -2.07 -0.38 -4.89 119.66 113.82 2kh2 s GLN 81 Ca 0.25 -1.20 -0.14 0.00 -1.82 0.00 0.00 55.36 52.46 2kh2 s GLN 81 Cb -0.12 0.53 0.01 0.00 -1.09 0.00 0.00 33.01 32.33 2kh2 s GLN 81 CO 0.16 -0.75 0.28 -0.51 -1.32 0.00 0.00 175.29 173.15 2kh2 s LEU 82 N -3.00 4.90 -0.16 2.60 2.01 -1.26 -0.17 118.68 123.60 2kh2 s LEU 82 Ca 0.18 -0.75 -0.05 0.00 0.01 0.00 0.00 54.13 53.52 2kh2 s LEU 82 Cb -0.03 -2.15 -0.04 0.00 0.01 0.00 0.00 46.19 43.99 2kh2 s LEU 82 CO 0.09 -0.38 0.02 -0.70 1.01 0.00 0.00 176.35 176.40 2kh2 s GLU 83 N 1.69 3.71 -0.22 1.70 2.12 0.17 -4.89 118.70 122.97 2kh2 s GLU 83 Ca 0.05 -0.40 -0.18 0.00 0.36 0.00 0.00 54.97 54.80 2kh2 s GLU 83 Cb -0.18 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.12 2kh2 s GLU 83 CO 0.10 0.35 0.49 -1.12 -0.54 0.00 0.00 175.26 174.54 2kh2 s SER 84 N 0.12 6.48 0.36 -1.70 0.01 -1.26 -0.90 113.70 116.81 2kh2 s SER 84 Ca 0.03 0.57 0.08 0.00 1.31 0.00 0.00 55.95 57.94 2kh2 s SER 84 Cb -0.13 -2.27 -0.07 0.00 0.21 0.00 0.00 66.02 63.76 2kh2 s SER 84 CO 0.01 -0.20 -0.06 0.68 0.41 0.00 0.00 173.24 174.09 2kh2 s VAL 85 N 1.83 2.09 -0.19 3.43 -7.23 -0.20 -5.02 120.40 115.11 2kh2 s VAL 85 Ca 0.22 -2.14 -0.31 0.00 -1.81 0.00 0.00 61.98 57.94 2kh2 s VAL 85 Cb -0.15 -2.73 -0.08 0.00 0.56 0.00 0.00 36.38 33.98 2kh2 s VAL 85 CO 0.09 -0.15 2.13 -0.67 -0.31 0.00 0.00 175.10 176.19 2kh2 n ASP 86 N -0.82 3.15 0.08 4.85 4.64 -1.26 -4.79 116.55 122.40 2kh2 n ASP 86 Ca -0.05 0.47 0.08 0.00 -1.38 0.00 0.00 54.79 53.91 2kh2 n ASP 86 Cb 0.64 -1.45 0.37 0.00 -1.04 0.00 0.00 41.12 39.64 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 8.11 0.09 0.01 -0.67 -0.04 -1.26 -1.93 135.00 139.31 2kh2 n PRO 87 Ca 0.30 0.47 0.11 0.00 -0.04 0.00 0.00 63.50 64.34 2kh2 n PRO 87 Cb 0.37 -1.74 -0.05 0.00 -0.04 0.00 0.00 33.50 32.04 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 -1.92 0.25 -0.08 0.54 2.85 -1.26 -4.15 118.16 114.39 2kh2 n LYS 88 Ca 0.01 -0.04 0.04 0.00 -1.05 0.00 0.00 58.31 57.27 2kh2 n LYS 88 Cb 0.11 -1.54 0.08 0.00 -0.65 0.00 0.00 35.03 33.03 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 -1.85 2.32 -3.96 -5.58 3.02 -0.81 -4.98 115.26 103.42 2kh2 n ASN 89 Ca 0.02 -1.76 -0.16 0.00 -0.03 0.00 0.00 54.58 52.65 2kh2 n ASN 89 Cb 0.42 -0.11 -0.14 0.00 -0.61 0.00 0.00 39.78 39.34 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 -0.89 0.49 0.55 3.10 1.51 -0.89 -4.43 117.35 116.80 2kh2 s TYR 90 Ca 0.14 -0.10 -0.08 0.00 -1.01 0.00 0.00 57.07 56.03 2kh2 s TYR 90 Cb 0.08 -0.31 0.12 0.00 -0.11 0.00 0.00 41.96 41.74 2kh2 s TYR 90 CO 0.11 -0.01 0.75 -0.35 -1.11 0.00 0.00 175.55 174.94 2kh2 n PRO 91 N 2.92 -0.55 -3.96 -1.71 -0.04 -1.26 -4.75 135.00 125.65 2kh2 n PRO 91 Ca -0.13 -1.32 -0.09 0.00 -0.04 0.00 0.00 63.50 61.93 2kh2 n PRO 91 Cb 0.58 -0.72 -0.05 0.00 -0.04 0.00 0.00 33.50 33.27 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 -4.56 1.54 -0.02 0.54 -2.85 -1.26 -5.09 119.74 108.04 2kh2 s LYS 92 Ca 0.44 -1.18 -0.23 0.00 -1.00 0.00 0.00 55.97 54.00 2kh2 s LYS 92 Cb -0.01 0.49 -0.15 0.00 -2.06 0.00 0.00 37.83 36.09 2kh2 s LYS 92 CO 0.30 -0.65 1.03 -0.22 0.10 0.00 0.00 175.35 175.91 2kh2 h LYS 93 N 2.23 -0.41 -4.45 1.78 3.64 -1.97 -3.38 116.57 114.02 2kh2 h LYS 93 Ca -0.26 0.03 -0.74 0.00 -1.27 0.00 0.00 60.65 58.41 2kh2 h LYS 93 Cb 1.25 0.09 -0.22 0.00 -0.41 0.00 0.00 32.23 32.95 2kh2 h LYS 93 CO 0.35 -0.07 0.50 0.21 -2.27 0.00 0.00 179.45 178.17 2kh2 s LYS 94 N -4.09 3.63 0.75 1.90 2.47 -1.26 -2.80 119.74 120.34 2kh2 s LYS 94 Ca -0.13 -2.13 -0.07 0.00 -1.56 0.00 0.00 55.97 52.08 2kh2 s LYS 94 Cb 0.01 -4.69 0.10 0.00 -1.46 0.00 0.00 37.83 31.80 2kh2 s LYS 94 CO 0.47 -1.54 1.06 -1.64 0.16 0.00 0.00 175.35 173.86 2kh2 s MET 95 N 1.42 1.77 0.58 4.03 -1.94 -1.26 -5.04 119.30 118.86 2kh2 s MET 95 Ca 0.26 -0.52 -0.19 0.00 -1.71 0.00 0.00 55.69 53.53 2kh2 s MET 95 Cb -0.07 -2.16 -0.04 0.00 2.01 0.00 0.00 34.83 34.57 2kh2 s MET 95 CO -0.09 -1.50 1.16 -1.21 -0.01 0.00 0.00 175.02 173.37 2kh2 s GLU 96 N -5.33 3.12 0.55 2.03 8.01 -1.26 -4.89 118.70 120.94 2kh2 s GLU 96 Ca 0.64 1.68 0.23 0.00 0.01 0.00 0.00 54.97 57.53 2kh2 s GLU 96 Cb -0.08 -1.97 1.53 0.00 -4.31 0.00 0.00 34.13 29.30 2kh2 s GLU 96 CO 0.46 -1.05 2.18 -0.22 0.01 0.00 0.00 175.26 176.64 2kh2 h LYS 97 N 0.93 0.00 0.00 1.61 1.63 -1.96 0.56 116.57 119.33 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 1.28 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 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 -4.20 0.02 -0.02 1.90 1.85 -1.26 -2.99 116.66 111.95 2kh2 n ARG 98 Ca -0.02 0.05 0.05 0.00 -1.00 0.00 0.00 57.85 56.93 2kh2 n ARG 98 Cb 0.12 -1.50 0.05 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 -1.49 0.05 -3.46 2.89 3.72 0.15 -1.25 117.46 118.08 2kh2 n PHE 99 Ca 0.07 -0.06 -0.40 0.00 -0.05 0.00 0.00 57.45 57.01 2kh2 n PHE 99 Cb 0.30 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.74 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 -0.84 5.22 -0.03 -4.37 1.01 -1.00 -4.08 120.40 116.30 2kh2 s VAL 100 Ca 0.13 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 2kh2 s VAL 100 Cb 0.08 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2kh2 s VAL 100 CO 0.12 0.05 0.05 -0.36 0.00 0.00 0.00 175.10 174.97 2kh2 s PHE 101 N 1.94 3.23 -0.67 5.22 0.40 0.62 -2.40 117.98 126.32 2kh2 s PHE 101 Ca 0.11 0.19 -0.15 0.00 -0.60 0.00 0.00 56.93 56.47 2kh2 s PHE 101 Cb -0.16 -1.74 0.16 0.00 0.51 0.00 0.00 43.02 41.79 2kh2 s PHE 101 CO 0.11 0.52 0.64 -0.80 0.70 0.00 0.00 175.22 176.39 2kh2 s ASN 102 N -1.49 6.43 -0.66 1.36 0.02 0.25 -1.03 114.94 119.82 2kh2 s ASN 102 Ca 0.20 -2.13 -0.26 0.00 -1.02 0.00 0.00 52.86 49.64 2kh2 s ASN 102 Cb -0.12 -2.22 0.04 0.00 0.02 0.00 0.00 41.25 38.97 2kh2 s ASN 102 CO 0.10 -0.77 1.15 -0.75 0.02 0.00 0.00 177.10 176.86 2kh2 s LYS 103 N 1.13 3.27 0.19 -0.60 2.20 0.21 -0.83 119.74 125.31 2kh2 s LYS 103 Ca 0.10 -0.25 0.04 0.00 -0.36 0.00 0.00 55.97 55.51 2kh2 s LYS 103 Cb -0.21 -4.13 -0.03 0.00 -1.51 0.00 0.00 37.83 31.94 2kh2 s LYS 103 CO -0.02 -1.89 0.27 0.42 -0.36 0.00 0.00 175.35 173.78 2kh2 s ILE 104 N 5.00 5.08 -0.42 5.43 1.01 0.12 -0.75 121.20 136.65 2kh2 s ILE 104 Ca 0.34 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 60.09 2kh2 s ILE 104 Cb -0.10 -3.67 0.14 0.00 0.01 0.00 0.00 42.46 38.84 2kh2 s ILE 104 CO 0.17 -0.19 0.25 -1.61 0.00 0.00 0.00 174.94 173.56 2kh2 s GLU 105 N -3.50 1.10 0.03 2.79 8.01 -1.08 -0.73 118.70 125.33 2kh2 s GLU 105 Ca 0.34 -1.88 -0.27 0.00 0.01 0.00 0.00 54.97 53.17 2kh2 s GLU 105 Cb -0.10 -2.02 -0.17 0.00 -4.31 0.00 0.00 34.13 27.53 2kh2 s GLU 105 CO 0.27 -1.20 1.32 -0.84 0.01 0.00 0.00 175.26 174.83 2kh2 h ILE 106 N 5.10 0.49 0.00 -1.63 3.07 -1.91 -3.48 117.51 119.15 2kh2 h ILE 106 Ca 0.04 -0.38 0.00 0.00 1.55 0.00 0.00 64.86 66.07 2kh2 h ILE 106 Cb 0.93 0.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 2kh2 h ILE 106 CO 0.42 0.06 0.00 -0.46 -1.05 0.00 0.00 178.15 177.12 2kh2 n ASN 107 N -5.26 0.00 -1.35 2.16 0.23 -1.26 -4.98 115.26 104.81 2kh2 n ASN 107 Ca -0.11 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.02 2kh2 n ASN 107 Cb 0.30 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.32 2kh2 n ASN 107 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2kh2 n ASN 108 N 0.00 4.60 -4.11 0.53 2.04 -1.26 -4.92 115.26 112.14 2kh2 n ASN 108 Ca 0.00 -2.77 -0.17 0.00 -0.44 0.00 0.00 54.58 51.20 2kh2 n ASN 108 Cb 0.00 -0.57 -0.13 0.00 -2.53 0.00 0.00 39.78 36.55 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 2kh2 s LYS 109 N -2.42 0.76 -0.01 -3.83 -0.14 -1.26 -4.99 119.74 107.84 2kh2 s LYS 109 Ca 0.46 -0.74 0.04 0.00 -1.36 0.00 0.00 55.97 54.37 2kh2 s LYS 109 Cb 0.34 -0.70 -0.03 0.00 -1.68 0.00 0.00 37.83 35.76 2kh2 s LYS 109 CO 0.15 0.16 -0.12 -0.48 -0.76 0.00 0.00 175.35 174.31 2kh2 s LEU 110 N -1.27 2.88 0.16 3.17 2.34 -0.32 -3.40 118.68 122.23 2kh2 s LEU 110 Ca -0.02 -0.22 0.11 0.00 0.06 0.00 0.00 54.13 54.05 2kh2 s LEU 110 Cb -0.08 -1.64 -0.04 0.00 -0.56 0.00 0.00 46.19 43.86 2kh2 s LEU 110 CO 0.01 0.30 -0.23 -1.61 -1.06 0.00 0.00 176.35 173.77 2kh2 s GLU 111 N -1.14 1.57 -0.36 1.48 2.02 0.10 -0.06 118.70 122.30 2kh2 s GLU 111 Ca 0.14 -1.38 -0.02 0.00 0.02 0.00 0.00 54.97 53.73 2kh2 s GLU 111 Cb -0.11 -1.94 0.09 0.00 0.10 0.00 0.00 34.13 32.27 2kh2 s GLU 111 CO 0.04 0.43 0.12 -0.06 0.02 0.00 0.00 175.26 175.82 2kh2 s PHE 112 N -1.36 3.48 0.24 1.61 0.08 -1.26 -0.71 117.98 120.07 2kh2 s PHE 112 Ca 0.18 -2.24 -0.05 0.00 0.12 0.00 0.00 56.93 54.94 2kh2 s PHE 112 Cb -0.09 -2.79 -0.05 0.00 -0.57 0.00 0.00 43.02 39.51 2kh2 s PHE 112 CO 0.09 -0.90 0.50 -2.00 -0.10 0.00 0.00 175.22 172.80 2kh2 s GLU 113 N 1.17 3.64 -0.08 0.44 2.12 -0.01 -1.94 118.70 124.04 2kh2 s GLU 113 Ca 0.04 -0.02 -0.20 0.00 0.36 0.00 0.00 54.97 55.14 2kh2 s GLU 113 Cb -0.21 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 2kh2 s GLU 113 CO -0.03 0.30 0.56 0.45 -0.54 0.00 0.00 175.26 176.00 2kh2 s SER 114 N -2.92 6.83 0.15 -1.70 0.15 0.08 0.86 113.70 117.14 2kh2 s SER 114 Ca 0.43 0.99 -0.12 0.00 0.70 0.00 0.00 55.95 57.95 2kh2 s SER 114 Cb -0.11 -2.34 0.01 0.00 -1.71 0.00 0.00 66.02 61.87 2kh2 s SER 114 CO 0.28 -0.00 1.58 0.00 1.20 0.00 0.00 173.24 176.29 2kh2 h ALA 115 N 6.47 0.65 -0.45 5.45 0.00 -1.69 -2.99 119.26 126.70 2kh2 h ALA 115 Ca -0.42 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.08 2kh2 h ALA 115 Cb 1.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2kh2 h ALA 115 CO 0.74 0.50 -0.11 0.37 0.00 0.00 0.00 179.25 180.75 2kh2 h GLN 116 N 0.73 0.81 -3.85 0.00 5.75 -1.80 -3.38 115.11 113.37 2kh2 h GLN 116 Ca 0.13 -0.27 -0.63 0.00 -0.15 0.00 0.00 58.65 57.72 2kh2 h GLN 116 Cb 0.59 -0.07 -0.40 0.00 1.07 0.00 0.00 27.48 28.67 2kh2 h GLN 116 CO 0.04 0.89 -0.71 -0.06 -2.65 0.00 0.00 178.83 176.33 2kh2 s PHE 117 N -4.80 2.89 0.49 3.99 0.08 -1.14 -5.11 117.98 114.39 2kh2 s PHE 117 Ca -0.10 -2.69 -0.23 0.00 0.12 0.00 0.00 56.93 54.04 2kh2 s PHE 117 Cb 0.14 -2.47 -0.06 0.00 -0.57 0.00 0.00 43.02 40.05 2kh2 s PHE 117 CO 0.83 -0.86 1.32 -2.14 -0.10 0.00 0.00 175.22 174.27 2kh2 s PRO 118 N 0.67 3.48 0.00 0.24 0.02 -1.18 -2.55 135.00 135.68 2kh2 s PRO 118 Ca 0.13 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.32 2kh2 s PRO 118 Cb -0.21 -2.43 0.00 0.00 0.02 0.00 0.00 34.50 31.88 2kh2 s PRO 118 CO -0.08 -0.89 0.00 0.09 -0.33 0.00 0.00 177.00 175.78 2kh2 n ASN 119 N -0.60 -0.93 -4.35 2.53 5.03 -1.26 -4.98 115.26 110.70 2kh2 n ASN 119 Ca 0.08 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.13 2kh2 n ASN 119 Cb 0.45 -0.80 -0.11 0.00 -1.02 0.00 0.00 39.78 38.30 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 -2.87 3.25 0.26 3.10 0.52 -1.06 -4.43 118.94 117.72 2kh2 s TRP 120 Ca 0.00 -1.09 0.08 0.00 0.02 0.00 0.00 56.10 55.11 2kh2 s TRP 120 Cb 0.00 -2.40 -0.04 0.00 -1.15 0.00 0.00 33.47 29.89 2kh2 s TRP 120 CO 0.00 -0.67 0.08 0.71 0.02 0.00 0.00 176.95 177.09 2kh2 s TYR 121 N 1.51 2.88 -0.22 -1.98 1.51 0.32 -0.74 117.35 120.63 2kh2 s TYR 121 Ca 0.01 -0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 55.61 2kh2 s TYR 121 Cb -0.19 -1.29 -0.02 0.00 -0.11 0.00 0.00 41.96 40.35 2kh2 s TYR 121 CO 0.06 0.58 1.56 0.42 -1.11 0.00 0.00 175.55 177.05 2kh2 s ILE 122 N -2.23 3.77 0.13 2.71 1.01 -0.82 -0.30 121.20 125.47 2kh2 s ILE 122 Ca 0.32 0.88 0.05 0.00 0.00 0.00 0.00 60.65 61.90 2kh2 s ILE 122 Cb -0.07 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 2kh2 s ILE 122 CO 0.22 -0.30 0.03 -0.44 0.00 0.00 0.00 174.94 174.46 2kh2 s SER 123 N 3.89 5.09 0.02 3.58 0.01 0.11 -4.34 113.70 122.07 2kh2 s SER 123 Ca 0.69 -0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.75 2kh2 s SER 123 Cb -0.24 -1.21 -0.02 0.00 0.21 0.00 0.00 66.02 64.76 2kh2 s SER 123 CO 0.28 0.13 -0.08 -0.89 0.41 0.00 0.00 173.24 173.08 2kh2 s THR 124 N -1.53 0.64 0.62 1.44 2.01 0.27 -2.09 115.64 117.00 2kh2 s THR 124 Ca 0.28 -0.73 -0.10 0.00 0.31 0.00 0.00 61.69 61.44 2kh2 s THR 124 Cb -0.11 -0.61 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 2kh2 s THR 124 CO 0.20 -0.09 1.01 -0.44 -0.69 0.00 0.00 174.62 174.61 2kh2 s SER 125 N -0.90 6.01 0.28 3.53 0.01 -1.26 -0.25 113.70 121.12 2kh2 s SER 125 Ca -0.03 1.26 0.12 0.00 1.31 0.00 0.00 55.95 58.61 2kh2 s SER 125 Cb -0.06 -2.27 0.38 0.00 0.21 0.00 0.00 66.02 64.27 2kh2 s SER 125 CO 0.00 -0.96 1.61 1.56 0.41 0.00 0.00 173.24 175.87 2kh2 h GLN 126 N -0.33 0.00 -7.20 12.44 1.08 -1.98 -3.46 115.11 115.66 2kh2 h GLN 126 Ca -0.45 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.23 2kh2 h GLN 126 Cb 1.21 0.00 0.15 0.00 -0.05 0.00 0.00 27.48 28.79 2kh2 h GLN 126 CO 0.62 0.60 0.37 0.00 -0.95 0.00 0.00 178.83 179.47 2kh2 s ALA 127 N -3.56 2.12 0.26 3.87 0.00 -1.26 -5.01 121.76 118.18 2kh2 s ALA 127 Ca -0.01 0.75 -0.21 0.00 0.00 0.00 0.00 51.96 52.49 2kh2 s ALA 127 Cb 0.12 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 2kh2 s ALA 127 CO 0.75 -1.85 0.79 -2.00 0.00 0.00 0.00 175.76 173.45 2kh2 s GLU 128 N -4.08 4.32 -0.90 0.00 2.56 -1.26 -4.07 118.70 115.27 2kh2 s GLU 128 Ca 0.71 0.98 -0.04 0.00 0.00 0.00 0.00 54.97 56.63 2kh2 s GLU 128 Cb -0.26 -2.80 0.00 0.00 2.00 0.00 0.00 34.13 33.07 2kh2 s GLU 128 CO 0.46 0.33 0.47 -1.71 -0.56 0.00 0.00 175.26 174.26 2kh2 n ASN 129 N 0.55 -4.40 -4.74 -1.70 5.15 -1.20 -5.02 115.26 103.89 2kh2 n ASN 129 Ca -0.00 -0.22 -0.36 0.00 -0.60 0.00 0.00 54.58 53.40 2kh2 n ASN 129 Cb 0.51 -3.19 -0.08 0.00 -0.53 0.00 0.00 39.78 36.49 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 -5.40 3.24 1.07 1.20 -1.94 -1.22 -4.85 119.30 111.39 2kh2 s MET 130 Ca 0.23 -0.31 -0.17 0.00 -1.71 0.00 0.00 55.69 53.74 2kh2 s MET 130 Cb -0.10 -2.97 0.23 0.00 2.01 0.00 0.00 34.83 34.00 2kh2 s MET 130 CO 0.29 0.69 1.19 -2.14 -0.01 0.00 0.00 175.02 175.03 2kh2 s PRO 131 N -0.81 -0.17 -0.04 2.03 0.02 -1.26 -1.05 135.00 133.72 2kh2 s PRO 131 Ca 0.13 -0.12 -0.03 0.00 0.02 0.00 0.00 61.00 61.00 2kh2 s PRO 131 Cb -0.12 -1.72 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 2kh2 s PRO 131 CO 0.03 -3.00 0.13 0.14 -0.33 0.00 0.00 177.00 173.96 2kh2 s VAL 132 N -3.36 5.17 0.34 3.83 -7.23 -1.23 -4.55 120.40 113.37 2kh2 s VAL 132 Ca 0.71 -0.13 -0.00 0.00 -1.81 0.00 0.00 61.98 60.74 2kh2 s VAL 132 Cb -0.09 -3.34 -0.00 0.00 0.56 0.00 0.00 36.38 33.51 2kh2 s VAL 132 CO 0.55 0.44 0.43 0.72 -0.31 0.00 0.00 175.10 176.93 2kh2 s PHE 133 N -1.17 1.21 -0.20 2.82 -0.71 -0.89 -4.88 117.98 114.16 2kh2 s PHE 133 Ca 0.21 -1.38 -0.12 0.00 -1.04 0.00 0.00 56.93 54.61 2kh2 s PHE 133 Cb -0.12 -0.22 -0.05 0.00 -1.21 0.00 0.00 43.02 41.42 2kh2 s PHE 133 CO 0.12 -1.08 0.20 -1.17 -1.34 0.00 0.00 175.22 171.95 2kh2 s LEU 134 N -3.27 4.18 0.12 -1.99 2.96 -1.26 0.09 118.68 119.52 2kh2 s LEU 134 Ca 0.33 0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.56 2kh2 s LEU 134 Cb 0.00 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 2kh2 s LEU 134 CO 0.22 0.10 -0.09 -0.83 -1.32 0.00 0.00 176.35 174.43 2kh2 s GLY 135 N 0.67 0.94 -0.18 7.98 0.00 0.59 -4.83 107.32 112.49 2kh2 s GLY 135 Ca 0.11 -1.40 0.15 0.00 0.00 0.00 0.00 44.72 43.58 2kh2 s GLY 135 CO 0.02 -1.50 1.23 0.61 0.00 0.00 0.00 173.10 173.47 2kh2 n GLY 136 N -0.04 4.87 2.82 0.20 0.00 -1.26 -0.52 105.19 111.27 2kh2 n GLY 136 Ca -0.12 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 2kh2 n GLY 136 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kh2 n THR 137 N -1.21 4.53 -2.15 2.61 -1.04 -1.26 -4.98 114.28 110.79 2kh2 n THR 137 Ca 0.19 -5.75 -0.39 0.00 -2.04 0.00 0.00 64.05 56.06 2kh2 n THR 137 Cb 0.72 -2.05 -0.03 0.00 -1.82 0.00 0.00 70.33 67.16 2kh2 n THR 137 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kh2 s LYS 138 N -2.80 2.81 0.00 -2.82 2.20 -1.26 -1.88 119.74 115.98 2kh2 s LYS 138 Ca 0.34 0.51 0.00 0.00 -0.36 0.00 0.00 55.97 56.46 2kh2 s LYS 138 Cb 0.09 -4.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.08 2kh2 s LYS 138 CO 0.06 -2.53 0.00 0.41 -0.36 0.00 0.00 175.35 172.93 2kh2 n GLY 139 N 5.60 1.14 0.00 5.54 0.00 -1.26 -5.09 105.19 111.11 2kh2 n GLY 139 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.62 1.63 0.13 -0.02 0.00 -0.79 -5.01 105.19 99.51 2kh2 n GLY 140 Ca 0.00 -1.65 -0.22 0.00 0.00 0.00 0.00 46.02 44.15 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 0.41 -6.72 1.61 7.50 -1.99 -3.45 115.11 112.46 2kh2 h GLN 141 Ca 0.00 -0.69 -0.51 0.00 0.50 0.00 0.00 58.65 57.95 2kh2 h GLN 141 Cb 0.00 0.26 0.01 0.00 0.05 0.00 0.00 27.48 27.79 2kh2 h GLN 141 CO 0.00 1.33 0.46 -0.51 -1.50 0.00 0.00 178.83 178.61 2kh2 s ASP 142 N -7.26 7.31 -0.04 1.46 1.01 -1.26 -4.65 116.67 113.24 2kh2 s ASP 142 Ca -0.12 2.14 -0.30 0.00 0.71 0.00 0.00 52.55 54.98 2kh2 s ASP 142 Cb 0.03 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 2kh2 s ASP 142 CO 0.88 -0.15 1.14 -0.63 0.21 0.00 0.00 175.17 176.62 2kh2 s ILE 143 N -0.69 4.38 -0.21 0.77 1.01 0.66 -4.64 121.20 122.47 2kh2 s ILE 143 Ca 0.47 1.70 0.07 0.00 0.00 0.00 0.00 60.65 62.88 2kh2 s ILE 143 Cb -0.30 -4.09 -0.09 0.00 0.01 0.00 0.00 42.46 37.99 2kh2 s ILE 143 CO 0.37 0.03 0.24 0.35 0.00 0.00 0.00 174.94 175.93 2kh2 n THR 144 N 4.43 0.00 -3.46 2.92 -2.24 -1.26 -0.57 114.28 114.11 2kh2 n THR 144 Ca 0.10 -0.27 -0.35 0.00 -2.27 0.00 0.00 64.05 61.25 2kh2 n THR 144 Cb 0.47 0.75 -0.06 0.00 -2.10 0.00 0.00 70.33 69.40 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 -2.09 6.75 0.25 3.42 -4.77 -1.26 -4.29 116.67 114.68 2kh2 s ASP 145 Ca 0.01 0.95 0.01 0.00 -3.30 0.00 0.00 52.55 50.22 2kh2 s ASP 145 Cb 0.05 -2.24 -0.04 0.00 -1.09 0.00 0.00 42.92 39.60 2kh2 s ASP 145 CO 0.29 0.14 0.12 -0.36 0.70 0.00 0.00 175.17 176.07 2kh2 s PHE 146 N -1.42 1.45 0.18 2.11 0.08 0.91 -3.91 117.98 117.39 2kh2 s PHE 146 Ca 0.35 -1.29 0.11 0.00 0.12 0.00 0.00 56.93 56.22 2kh2 s PHE 146 Cb -0.15 -0.79 -0.04 0.00 -0.57 0.00 0.00 43.02 41.47 2kh2 s PHE 146 CO 0.18 -0.47 -0.23 0.95 -0.10 0.00 0.00 175.22 175.55 2kh2 s THR 147 N -3.83 2.42 -0.33 0.64 -4.23 0.53 -1.18 115.64 109.66 2kh2 s THR 147 Ca 0.38 -1.94 -0.08 0.00 -1.18 0.00 0.00 61.69 58.86 2kh2 s THR 147 Cb 0.07 -2.15 0.02 0.00 1.34 0.00 0.00 72.50 71.78 2kh2 s THR 147 CO 0.14 -0.07 0.13 -0.32 -0.54 0.00 0.00 174.62 173.96 2kh2 s MET 148 N -2.57 2.89 -0.45 3.99 1.75 -1.26 -3.38 119.30 120.27 2kh2 s MET 148 Ca 0.20 -1.01 -0.02 0.00 -1.25 0.00 0.00 55.69 53.61 2kh2 s MET 148 Cb -0.08 -3.52 0.12 0.00 2.84 0.00 0.00 34.83 34.19 2kh2 s MET 148 CO 0.10 -0.58 0.24 -0.65 -0.65 0.00 0.00 175.02 173.48 2kh2 s GLN 149 N 1.49 2.08 0.17 4.11 1.11 -0.98 -4.97 119.66 122.66 2kh2 s GLN 149 Ca 0.01 -1.99 -0.31 0.00 0.01 0.00 0.00 55.36 53.07 2kh2 s GLN 149 Cb -0.18 -3.58 -0.10 0.00 -1.01 0.00 0.00 33.01 28.14 2kh2 s GLN 149 CO 0.04 -1.09 1.55 -0.06 0.01 0.00 0.00 175.29 175.74 2kh2 s PHE 150 N 0.84 3.07 0.43 0.91 0.08 -1.26 -0.57 117.98 121.48 2kh2 s PHE 150 Ca 0.10 0.67 0.08 0.00 0.12 0.00 0.00 56.93 57.90 2kh2 s PHE 150 Cb -0.22 -3.90 -0.01 0.00 -0.57 0.00 0.00 43.02 38.31 2kh2 s PHE 150 CO -0.04 -3.30 0.41 0.14 -0.10 0.00 0.00 175.22 172.33 2kh2 s VAL 151 N 1.07 2.60 -1.43 -0.44 -7.23 -1.03 -4.93 120.40 109.02 2kh2 s VAL 151 Ca 0.69 -1.32 -0.12 0.00 -1.81 0.00 0.00 61.98 59.42 2kh2 s VAL 151 Cb -0.43 -2.92 0.06 0.00 0.56 0.00 0.00 36.38 33.65 2kh2 s VAL 151 CO 0.32 0.00 2.22 -1.20 -0.31 0.00 0.00 175.10 176.13 2kh2 n SER 152 N -1.61 4.86 0.00 4.85 7.64 -1.26 -4.82 113.62 123.28 2kh2 n SER 152 Ca 0.04 -2.89 0.00 0.00 1.01 0.00 0.00 58.87 57.03 2kh2 n SER 152 Cb 0.62 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83