#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 0.27 -5.17 0.00 0.11 -2.08 -3.45 132.00 121.68 2kh2 h PRO 2 Ca 0.00 -0.15 -0.43 0.00 0.11 0.00 0.00 66.00 65.53 2kh2 h PRO 2 Cb 0.00 0.01 -0.26 0.00 0.11 0.00 0.00 31.00 30.86 2kh2 h PRO 2 CO 0.00 0.70 -0.79 0.54 -0.21 0.00 0.00 178.00 178.24 2kh2 s VAL 3 N -4.21 1.01 0.12 3.15 0.11 -1.26 -5.15 120.40 114.17 2kh2 s VAL 3 Ca -0.15 -0.81 0.05 0.00 -2.93 0.00 0.00 61.98 58.14 2kh2 s VAL 3 Cb 0.04 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 2kh2 s VAL 3 CO 0.74 0.08 0.06 0.00 -3.33 0.00 0.00 175.10 172.65 2kh2 s ARG 4 N -0.83 2.72 0.01 1.54 1.04 -1.26 -5.11 118.95 117.05 2kh2 s ARG 4 Ca 0.02 -0.84 -0.18 0.00 -1.04 0.00 0.00 55.73 53.70 2kh2 s ARG 4 Cb -0.07 -2.60 0.03 0.00 -2.04 0.00 0.00 34.95 30.28 2kh2 s ARG 4 CO 0.01 0.52 0.38 -1.12 -0.04 0.00 0.00 175.30 175.05 2kh2 s SER 5 N -2.63 -0.26 0.28 -2.89 0.01 -1.26 -4.09 113.70 102.86 2kh2 s SER 5 Ca 0.28 0.10 0.04 0.00 1.31 0.00 0.00 55.95 57.68 2kh2 s SER 5 Cb -0.11 0.38 -0.06 0.00 0.21 0.00 0.00 66.02 66.44 2kh2 s SER 5 CO 0.21 -0.55 0.02 -1.48 0.41 0.00 0.00 173.24 171.85 2kh2 s LEU 6 N -1.61 2.18 -0.09 2.44 0.05 -1.15 -4.99 118.68 115.51 2kh2 s LEU 6 Ca -0.10 -1.30 0.03 0.00 0.05 0.00 0.00 54.13 52.82 2kh2 s LEU 6 Cb -0.03 -0.34 -0.01 0.00 -2.05 0.00 0.00 46.19 43.76 2kh2 s LEU 6 CO 0.02 -0.55 -0.18 0.20 -0.55 0.00 0.00 176.35 175.29 2kh2 s ASN 7 N -3.40 3.62 0.18 1.48 0.01 -1.26 -0.56 114.94 115.01 2kh2 s ASN 7 Ca 0.33 -0.38 -0.12 0.00 -0.71 0.00 0.00 52.86 51.98 2kh2 s ASN 7 Cb 0.07 -1.19 0.00 0.00 0.41 0.00 0.00 41.25 40.54 2kh2 s ASN 7 CO 0.12 0.23 0.37 0.00 -1.51 0.00 0.00 177.10 176.31 2kh2 s THR 9 N -3.95 4.07 -0.17 0.00 -4.23 -0.60 -0.35 115.64 110.42 2kh2 s THR 9 Ca 0.15 -1.27 -0.00 0.00 -1.18 0.00 0.00 61.69 59.40 2kh2 s THR 9 Cb 0.02 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.79 2kh2 s THR 9 CO 0.00 -0.11 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.06 2kh2 s LEU 10 N -3.02 2.46 -0.04 4.79 1.43 -1.26 -2.54 118.68 120.49 2kh2 s LEU 10 Ca 0.29 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 2kh2 s LEU 10 Cb -0.10 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.57 2kh2 s LEU 10 CO 0.21 0.06 -0.10 -0.13 0.23 0.00 0.00 176.35 176.61 2kh2 s ARG 11 N 0.98 1.30 0.81 1.70 0.52 -1.04 -3.61 118.95 119.61 2kh2 s ARG 11 Ca -0.02 -0.35 -0.11 0.00 -0.52 0.00 0.00 55.73 54.73 2kh2 s ARG 11 Cb -0.15 -1.15 0.18 0.00 0.52 0.00 0.00 34.95 34.36 2kh2 s ARG 11 CO -0.03 0.07 1.10 -0.40 0.02 0.00 0.00 175.30 176.06 2kh2 n ASP 12 N 3.59 0.36 0.00 0.23 5.68 -0.74 -0.40 116.55 125.27 2kh2 n ASP 12 Ca -0.21 -1.57 0.09 0.00 -0.50 0.00 0.00 54.79 52.60 2kh2 n ASP 12 Cb 0.53 -0.82 0.38 0.00 -1.14 0.00 0.00 41.12 40.07 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2kh2 n SER 13 N -3.55 0.00 -0.99 -1.12 3.41 -1.26 -2.29 113.62 107.83 2kh2 n SER 13 Ca 0.15 0.50 0.10 0.00 -0.26 0.00 0.00 58.87 59.36 2kh2 n SER 13 Cb 0.51 -0.50 0.26 0.00 -0.26 0.00 0.00 64.21 64.22 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 -1.51 2.26 -1.83 4.33 1.13 -1.26 -4.91 117.38 115.59 2kh2 n GLN 14 Ca 0.04 -1.93 -0.12 0.00 -1.94 0.00 0.00 57.00 53.05 2kh2 n GLN 14 Cb 0.21 -1.45 -0.03 0.00 0.11 0.00 0.00 30.24 29.08 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 1.10 -0.91 -3.73 -1.09 1.13 -0.97 -4.90 117.38 108.00 2kh2 n GLN 15 Ca 0.19 0.74 -0.32 0.00 -1.94 0.00 0.00 57.00 55.67 2kh2 n GLN 15 Cb 0.49 -4.85 -0.05 0.00 0.11 0.00 0.00 30.24 25.95 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 -3.89 3.59 0.21 -1.09 1.02 -1.26 -3.54 119.74 114.78 2kh2 s LYS 16 Ca 0.00 -0.13 0.11 0.00 0.02 0.00 0.00 55.97 55.97 2kh2 s LYS 16 Cb 0.00 -2.94 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 2kh2 s LYS 16 CO 0.00 0.54 -0.23 -1.12 -0.92 0.00 0.00 175.35 173.62 2kh2 s SER 17 N -2.25 3.39 -0.09 2.83 0.01 -0.05 -1.79 113.70 115.75 2kh2 s SER 17 Ca 0.36 -0.90 -0.26 0.00 1.31 0.00 0.00 55.95 56.47 2kh2 s SER 17 Cb -0.13 -0.25 -0.03 0.00 0.21 0.00 0.00 66.02 65.82 2kh2 s SER 17 CO 0.23 0.09 0.82 -0.76 0.41 0.00 0.00 173.24 174.03 2kh2 s LEU 18 N -2.82 4.28 0.15 2.44 1.43 -1.24 -2.15 118.68 120.78 2kh2 s LEU 18 Ca 0.22 1.30 0.07 0.00 -1.03 0.00 0.00 54.13 54.69 2kh2 s LEU 18 Cb -0.07 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 2kh2 s LEU 18 CO 0.10 -0.25 -0.15 0.68 0.23 0.00 0.00 176.35 176.96 2kh2 s VAL 19 N 1.35 1.55 -0.22 -1.59 -7.23 0.99 -3.10 120.40 112.15 2kh2 s VAL 19 Ca 0.41 -1.88 -0.20 0.00 -1.81 0.00 0.00 61.98 58.50 2kh2 s VAL 19 Cb -0.18 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 2kh2 s VAL 19 CO 0.18 -0.43 0.61 -0.04 -0.31 0.00 0.00 175.10 175.11 2kh2 s MET 20 N -2.93 4.17 0.00 4.82 -1.94 -1.26 -0.40 119.30 121.76 2kh2 s MET 20 Ca 0.14 0.55 0.00 0.00 -1.71 0.00 0.00 55.69 54.67 2kh2 s MET 20 Cb -0.04 -3.60 0.00 0.00 2.01 0.00 0.00 34.83 33.20 2kh2 s MET 20 CO 0.05 -0.29 0.00 0.45 -0.01 0.00 0.00 175.02 175.21 2kh2 n SER 21 N 5.26 0.00 -4.17 3.03 2.88 -0.37 -4.95 113.62 115.30 2kh2 n SER 21 Ca -0.02 0.02 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 2kh2 n SER 21 Cb 0.50 -0.11 0.09 0.00 -0.75 0.00 0.00 64.21 63.93 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 2.30 0.91 0.29 0.46 0.00 -1.23 -4.95 105.19 102.97 2kh2 n GLY 22 Ca 0.00 -2.05 0.10 0.00 0.00 0.00 0.00 46.02 44.07 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 0.02 -0.67 1.61 0.11 -2.04 -3.02 132.00 128.00 2kh2 h PRO 23 Ca -0.26 -0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.48 2kh2 h PRO 23 Cb 1.01 -0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.71 2kh2 h PRO 23 CO 0.30 0.01 -1.02 0.66 -0.21 0.00 0.00 178.00 177.74 2kh2 n TYR 24 N -4.51 1.80 -3.82 0.65 4.01 -1.26 -5.06 117.16 108.97 2kh2 n TYR 24 Ca -0.00 -2.32 -0.13 0.00 -0.16 0.00 0.00 57.90 55.29 2kh2 n TYR 24 Cb 0.19 -0.27 -0.14 0.00 -0.31 0.00 0.00 39.34 38.82 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 -3.64 0.08 -0.03 -0.72 2.12 -1.14 -4.54 118.70 110.83 2kh2 s GLU 25 Ca 0.35 0.17 0.07 0.00 0.36 0.00 0.00 54.97 55.92 2kh2 s GLU 25 Cb 0.37 -0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.72 2kh2 s GLU 25 CO -0.02 -0.06 -0.26 -0.51 -0.54 0.00 0.00 175.26 173.88 2kh2 s LEU 26 N 0.37 2.06 0.18 2.70 1.43 -1.26 -1.24 118.68 122.93 2kh2 s LEU 26 Ca -0.03 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 52.66 2kh2 s LEU 26 Cb -0.04 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 2kh2 s LEU 26 CO -0.01 0.29 -0.14 -0.54 0.23 0.00 0.00 176.35 176.17 2kh2 s LYS 27 N -0.45 1.25 -0.15 1.70 1.02 0.47 -0.97 119.74 122.62 2kh2 s LYS 27 Ca 0.05 -1.51 0.02 0.00 0.02 0.00 0.00 55.97 54.55 2kh2 s LYS 27 Cb -0.11 -1.07 0.01 0.00 -0.52 0.00 0.00 37.83 36.14 2kh2 s LYS 27 CO 0.01 0.18 -0.19 0.00 -0.92 0.00 0.00 175.35 174.43 2kh2 s ALA 28 N -2.78 2.34 0.11 5.17 0.00 0.97 -0.01 121.76 127.57 2kh2 s ALA 28 Ca 0.19 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 2kh2 s ALA 28 Cb -0.02 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 2kh2 s ALA 28 CO 0.06 -0.07 0.19 -0.48 0.00 0.00 0.00 175.76 175.46 2kh2 s LEU 29 N 0.87 1.39 0.14 0.00 0.05 -0.91 -3.32 118.68 116.91 2kh2 s LEU 29 Ca -0.05 -0.80 -0.31 0.00 0.05 0.00 0.00 54.13 53.02 2kh2 s LEU 29 Cb -0.15 0.95 -0.09 0.00 -2.05 0.00 0.00 46.19 44.85 2kh2 s LEU 29 CO -0.02 -0.77 1.55 -1.00 -0.55 0.00 0.00 176.35 175.55 2kh2 s HIS 30 N -3.92 3.01 -0.21 3.48 3.76 -1.26 -0.87 115.29 119.28 2kh2 s HIS 30 Ca 0.11 0.65 -0.04 0.00 -0.15 0.00 0.00 55.06 55.62 2kh2 s HIS 30 Cb 0.05 -3.89 -0.01 0.00 1.11 0.00 0.00 32.58 29.84 2kh2 s HIS 30 CO -0.06 -3.29 -0.03 -1.17 -0.85 0.00 0.00 174.74 169.33 2kh2 s LEU 31 N 1.34 2.98 0.00 0.89 2.96 -1.23 -4.91 118.68 120.71 2kh2 s LEU 31 Ca 0.70 -0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 54.23 2kh2 s LEU 31 Cb -0.42 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.52 2kh2 s LEU 31 CO 0.31 0.00 0.27 0.00 -1.32 0.00 0.00 176.35 175.62 2kh2 n GLN 32 N 4.64 0.39 0.00 1.98 1.13 -1.26 -5.00 117.38 119.26 2kh2 n GLN 32 Ca -0.18 -1.22 0.00 0.00 -1.94 0.00 0.00 57.00 53.66 2kh2 n GLN 32 Cb 0.51 1.27 0.00 0.00 0.11 0.00 0.00 30.24 32.13 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kh2 n GLY 33 N -0.26 -0.03 0.80 1.08 0.00 -1.26 -3.62 105.19 101.90 2kh2 n GLY 33 Ca -0.01 -0.98 0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 2.05 -0.28 1.61 -0.06 -1.26 -3.93 117.38 115.51 2kh2 n GLN 34 Ca 0.00 -1.58 0.06 0.00 -2.00 0.00 0.00 57.00 53.48 2kh2 n GLN 34 Cb 0.00 -1.44 0.19 0.00 -4.06 0.00 0.00 30.24 24.93 2kh2 n GLN 34 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2kh2 n ASP 35 N 0.81 2.56 0.28 1.69 9.92 -1.24 -4.18 116.55 126.39 2kh2 n ASP 35 Ca 0.17 -2.12 0.15 0.00 -0.53 0.00 0.00 54.79 52.46 2kh2 n ASP 35 Cb 0.45 -0.35 0.80 0.00 -0.64 0.00 0.00 41.12 41.37 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 2kh2 h MET 36 N 2.39 0.00 -0.21 -1.24 4.05 -1.71 -2.58 114.93 115.63 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 0.74 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.54 2kh2 h MET 36 CO 0.07 0.08 0.00 0.39 0.23 0.00 0.00 176.91 177.68 2kh2 n GLU 37 N -3.53 0.87 -0.29 0.39 -0.58 -1.26 -2.81 120.64 113.42 2kh2 n GLU 37 Ca -0.02 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.82 2kh2 n GLU 37 Cb 0.21 -1.11 0.26 0.00 -0.57 0.00 0.00 31.44 30.23 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 -0.36 2.74 -1.94 3.49 6.02 -0.97 -4.97 117.38 121.39 2kh2 n GLN 38 Ca 0.00 -2.42 -0.42 0.00 -0.01 0.00 0.00 57.00 54.15 2kh2 n GLN 38 Cb 0.05 -1.46 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 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 -1.02 4.21 0.27 -1.09 -2.07 -1.12 -4.88 119.66 113.95 2kh2 s GLN 39 Ca 0.39 2.32 -0.30 0.00 -1.82 0.00 0.00 55.36 55.96 2kh2 s GLN 39 Cb 0.20 -3.46 -0.09 0.00 -1.09 0.00 0.00 33.01 28.57 2kh2 s GLN 39 CO 0.27 -0.68 1.10 0.08 -1.32 0.00 0.00 175.29 174.73 2kh2 s VAL 40 N 2.15 3.54 -0.16 3.63 1.01 -1.18 -5.03 120.40 124.36 2kh2 s VAL 40 Ca 0.72 1.52 -0.04 0.00 0.00 0.00 0.00 61.98 64.18 2kh2 s VAL 40 Cb -0.41 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 2kh2 s VAL 40 CO 0.32 0.35 -0.03 -0.69 0.00 0.00 0.00 175.10 175.05 2kh2 s VAL 41 N -1.04 3.94 -0.12 2.92 1.01 -1.26 -4.53 120.40 121.32 2kh2 s VAL 41 Ca 0.45 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 2kh2 s VAL 41 Cb -0.32 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2kh2 s VAL 41 CO 0.40 0.49 0.05 -0.36 0.00 0.00 0.00 175.10 175.69 2kh2 s PHE 42 N 0.36 3.31 -0.24 5.22 0.08 0.53 -1.34 117.98 125.90 2kh2 s PHE 42 Ca -0.04 0.26 -0.21 0.00 0.12 0.00 0.00 56.93 57.07 2kh2 s PHE 42 Cb -0.14 -1.89 -0.02 0.00 -0.57 0.00 0.00 43.02 40.39 2kh2 s PHE 42 CO 0.03 0.48 0.64 -1.12 -0.10 0.00 0.00 175.22 175.15 2kh2 s SER 43 N -0.66 6.62 -0.53 1.36 0.01 0.03 -1.40 113.70 119.13 2kh2 s SER 43 Ca 0.11 0.76 -0.18 0.00 1.31 0.00 0.00 55.95 57.96 2kh2 s SER 43 Cb -0.12 -2.35 0.08 0.00 0.21 0.00 0.00 66.02 63.85 2kh2 s SER 43 CO 0.02 -0.35 0.60 -0.04 0.41 0.00 0.00 173.24 173.88 2kh2 s MET 44 N 2.37 3.05 -0.09 12.44 -1.94 0.28 -3.33 119.30 132.09 2kh2 s MET 44 Ca 0.27 -1.21 -0.17 0.00 -1.71 0.00 0.00 55.69 52.87 2kh2 s MET 44 Cb -0.16 -4.18 -0.05 0.00 2.01 0.00 0.00 34.83 32.45 2kh2 s MET 44 CO 0.09 -1.31 0.45 -1.12 -0.01 0.00 0.00 175.02 173.12 2kh2 s SER 45 N 3.09 6.71 -0.62 3.03 0.01 -1.15 -2.96 113.70 121.81 2kh2 s SER 45 Ca 0.10 0.84 -0.22 0.00 1.31 0.00 0.00 55.95 57.98 2kh2 s SER 45 Cb -0.23 -2.27 0.06 0.00 0.21 0.00 0.00 66.02 63.79 2kh2 s SER 45 CO 0.08 0.09 0.91 -0.36 0.41 0.00 0.00 173.24 174.37 2kh2 s PHE 46 N 0.18 2.76 0.68 2.43 0.08 -1.26 -0.59 117.98 122.26 2kh2 s PHE 46 Ca 0.25 -0.46 0.01 0.00 0.12 0.00 0.00 56.93 56.85 2kh2 s PHE 46 Cb -0.15 -4.15 0.11 0.00 -0.57 0.00 0.00 43.02 38.25 2kh2 s PHE 46 CO 0.11 -1.50 0.93 0.14 -0.10 0.00 0.00 175.22 174.80 2kh2 s VAL 47 N 3.81 2.21 -0.27 -0.44 -7.23 -1.15 -4.87 120.40 112.47 2kh2 s VAL 47 Ca 0.23 -0.66 -0.09 0.00 -1.81 0.00 0.00 61.98 59.65 2kh2 s VAL 47 Cb -0.17 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 2kh2 s VAL 47 CO 0.12 0.00 0.11 -1.58 -0.31 0.00 0.00 175.10 173.44 2kh2 s GLN 48 N -5.02 3.66 0.00 4.82 2.00 -1.24 -4.76 119.66 119.11 2kh2 s GLN 48 Ca 0.64 -0.49 0.00 0.00 -2.00 0.00 0.00 55.36 53.51 2kh2 s GLN 48 Cb -0.06 -3.45 0.00 0.00 0.80 0.00 0.00 33.01 30.30 2kh2 s GLN 48 CO 0.43 -0.23 0.00 0.41 -0.50 0.00 0.00 175.29 175.39 2kh2 n GLY 49 N 4.97 1.55 3.46 2.59 0.00 -1.26 -4.98 105.19 111.52 2kh2 n GLY 49 Ca -0.15 0.32 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 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 3.24 3.65 -0.07 1.61 2.56 -1.26 -5.00 118.70 123.44 2kh2 s GLU 50 Ca 0.00 -1.81 -0.05 0.00 0.00 0.00 0.00 54.97 53.12 2kh2 s GLU 50 Cb 0.00 -4.97 -0.04 0.00 2.00 0.00 0.00 34.13 31.12 2kh2 s GLU 50 CO 0.00 -1.81 0.14 -2.00 -0.56 0.00 0.00 175.26 171.04 2kh2 s GLU 51 N 2.74 3.38 0.00 4.30 2.12 -1.26 -3.96 118.70 126.03 2kh2 s GLU 51 Ca 0.35 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.43 2kh2 s GLU 51 Cb -0.04 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.24 2kh2 s GLU 51 CO -0.08 0.73 0.00 -1.13 -0.54 0.00 0.00 175.26 174.23 2kh2 n SER 52 N 1.53 0.00 0.12 -1.70 3.41 0.06 -4.97 113.62 112.08 2kh2 n SER 52 Ca -0.16 -0.58 0.02 0.00 -0.26 0.00 0.00 58.87 57.89 2kh2 n SER 52 Cb 0.54 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.49 2kh2 n SER 52 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2kh2 h ASN 53 N 0.00 0.00 0.00 4.04 -1.24 -2.01 -3.33 115.58 113.04 2kh2 h ASN 53 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kh2 h ASN 53 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2kh2 h ASN 53 CO 0.00 0.50 0.00 -0.90 -1.29 0.00 0.00 177.43 175.74 2kh2 n ASP 54 N -3.16 1.73 -3.63 1.15 5.75 -1.26 -4.92 116.55 112.21 2kh2 n ASP 54 Ca -0.00 -1.74 -0.22 0.00 -0.01 0.00 0.00 54.79 52.82 2kh2 n ASP 54 Cb 0.75 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.67 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 -0.74 0.02 -0.23 0.11 2.20 -1.25 -0.99 119.74 118.85 2kh2 s LYS 55 Ca 0.00 0.16 0.01 0.00 -0.36 0.00 0.00 55.97 55.78 2kh2 s LYS 55 Cb 0.00 -1.17 0.03 0.00 -1.51 0.00 0.00 37.83 35.18 2kh2 s LYS 55 CO 0.00 -0.51 -0.12 0.42 -0.36 0.00 0.00 175.35 174.77 2kh2 s ILE 56 N 2.18 2.38 -0.20 5.43 -1.09 -0.14 -0.76 121.20 129.00 2kh2 s ILE 56 Ca 0.04 -1.17 -0.29 0.00 -2.23 0.00 0.00 60.65 56.99 2kh2 s ILE 56 Cb -0.14 -2.20 -0.02 0.00 -1.58 0.00 0.00 42.46 38.52 2kh2 s ILE 56 CO -0.07 0.25 1.43 -2.16 -1.23 0.00 0.00 174.94 173.17 2kh2 s PRO 57 N 1.25 4.01 0.10 2.79 0.04 -1.25 -0.31 135.00 141.62 2kh2 s PRO 57 Ca -0.01 1.62 0.02 0.00 0.04 0.00 0.00 61.00 62.67 2kh2 s PRO 57 Cb -0.16 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 2kh2 s PRO 57 CO -0.08 -1.02 -0.07 0.14 0.04 0.00 0.00 177.00 176.02 2kh2 s VAL 58 N 4.32 0.75 0.06 -0.36 -7.23 0.59 -2.91 120.40 115.62 2kh2 s VAL 58 Ca 0.63 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.87 2kh2 s VAL 58 Cb -0.23 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 2kh2 s VAL 58 CO 0.23 -0.85 0.18 0.00 -0.31 0.00 0.00 175.10 174.36 2kh2 s ALA 59 N -3.53 3.92 -0.23 1.32 0.00 0.25 -1.31 121.76 122.17 2kh2 s ALA 59 Ca 0.12 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2kh2 s ALA 59 Cb 0.05 -1.75 0.06 0.00 0.00 0.00 0.00 23.12 21.48 2kh2 s ALA 59 CO -0.04 0.81 -0.05 -0.51 0.00 0.00 0.00 175.76 175.97 2kh2 s LEU 60 N -2.48 2.46 0.10 0.00 1.43 -1.26 -2.95 118.68 115.99 2kh2 s LEU 60 Ca 0.34 -1.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.30 2kh2 s LEU 60 Cb -0.13 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 2kh2 s LEU 60 CO 0.27 -0.23 0.01 -0.83 0.23 0.00 0.00 176.35 175.79 2kh2 s GLY 61 N 1.42 0.80 0.17 -3.19 0.00 -1.21 -0.38 107.32 104.94 2kh2 s GLY 61 Ca -0.05 -1.38 -0.30 0.00 0.00 0.00 0.00 44.72 42.99 2kh2 s GLY 61 CO -0.06 -1.37 1.15 1.08 0.00 0.00 0.00 173.10 173.90 2kh2 s LEU 62 N -3.01 4.46 0.27 0.66 1.02 0.57 -0.79 118.68 121.85 2kh2 s LEU 62 Ca 0.17 2.15 -0.31 0.00 0.02 0.00 0.00 54.13 56.16 2kh2 s LEU 62 Cb 0.07 -3.60 -0.12 0.00 0.02 0.00 0.00 46.19 42.56 2kh2 s LEU 62 CO -0.03 -0.31 1.57 1.17 0.02 0.00 0.00 176.35 178.77 2kh2 n LYS 63 N 2.56 2.56 -3.49 1.70 4.81 -0.45 -2.31 118.16 123.54 2kh2 n LYS 63 Ca 0.04 0.91 -0.25 0.00 -0.87 0.00 0.00 58.31 58.14 2kh2 n LYS 63 Cb 0.45 -2.68 0.01 0.00 0.02 0.00 0.00 35.03 32.83 2kh2 n LYS 63 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2kh2 n GLU 64 N 2.35 -3.98 -3.83 1.64 0.28 -1.26 -4.96 120.64 110.87 2kh2 n GLU 64 Ca 0.10 0.55 -0.11 0.00 -0.16 0.00 0.00 57.16 57.54 2kh2 n GLU 64 Cb 0.35 -5.31 -0.08 0.00 1.43 0.00 0.00 31.44 27.83 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2kh2 s LYS 65 N -6.16 0.69 -0.10 3.44 1.02 -0.98 -5.04 119.74 112.62 2kh2 s LYS 65 Ca 0.47 -0.58 0.08 0.00 0.02 0.00 0.00 55.97 55.96 2kh2 s LYS 65 Cb -0.24 0.29 0.41 0.00 -0.52 0.00 0.00 37.83 37.77 2kh2 s LYS 65 CO 0.57 -0.20 1.17 0.27 -0.92 0.00 0.00 175.35 176.24 2kh2 n ASN 66 N 0.75 3.23 -4.59 2.83 6.94 -1.26 -4.52 115.26 118.64 2kh2 n ASN 66 Ca -0.19 -2.40 -0.40 0.00 -0.02 0.00 0.00 54.58 51.56 2kh2 n ASN 66 Cb 0.59 -0.54 -0.08 0.00 -2.36 0.00 0.00 39.78 37.38 2kh2 n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2kh2 s LEU 67 N -1.35 4.17 0.10 -4.53 1.43 -1.26 -2.52 118.68 114.71 2kh2 s LEU 67 Ca 0.28 0.21 0.09 0.00 -1.03 0.00 0.00 54.13 53.67 2kh2 s LEU 67 Cb 0.20 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 2kh2 s LEU 67 CO 0.10 -0.31 -0.24 -0.31 0.23 0.00 0.00 176.35 175.81 2kh2 s TYR 68 N 2.22 2.06 -0.16 0.29 1.51 -0.41 -0.32 117.35 122.55 2kh2 s TYR 68 Ca 0.17 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.54 2kh2 s TYR 68 Cb -0.16 -1.15 -0.01 0.00 -0.11 0.00 0.00 41.96 40.53 2kh2 s TYR 68 CO 0.11 0.23 1.24 -0.51 -1.11 0.00 0.00 175.55 175.50 2kh2 s LEU 69 N -1.75 4.18 -0.01 -1.29 1.43 0.49 -0.96 118.68 120.77 2kh2 s LEU 69 Ca 0.10 1.68 0.08 0.00 -1.03 0.00 0.00 54.13 54.95 2kh2 s LEU 69 Cb -0.10 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 2kh2 s LEU 69 CO 0.04 -0.73 -0.24 -0.55 0.23 0.00 0.00 176.35 175.09 2kh2 s SER 70 N 1.86 2.86 -0.26 2.29 0.15 0.65 -4.51 113.70 116.74 2kh2 s SER 70 Ca 0.54 -0.46 -0.05 0.00 0.70 0.00 0.00 55.95 56.68 2kh2 s SER 70 Cb -0.21 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 2kh2 s SER 70 CO 0.15 0.29 0.01 0.00 1.20 0.00 0.00 173.24 174.88 2kh2 s VAL 72 N 1.47 0.48 -0.28 0.00 -7.23 -0.39 -4.72 120.40 109.74 2kh2 s VAL 72 Ca 0.04 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.07 2kh2 s VAL 72 Cb -0.16 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 2kh2 s VAL 72 CO -0.01 0.00 0.33 -0.76 -0.31 0.00 0.00 175.10 174.35 2kh2 s LEU 73 N -3.31 4.08 -0.20 1.32 1.43 -1.26 0.49 118.68 121.23 2kh2 s LEU 73 Ca 0.38 0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 53.64 2kh2 s LEU 73 Cb 0.07 -2.34 0.05 0.00 0.03 0.00 0.00 46.19 44.00 2kh2 s LEU 73 CO 0.14 -0.17 -0.05 -0.54 0.23 0.00 0.00 176.35 175.96 2kh2 s LYS 74 N 1.99 1.53 -0.90 1.70 1.02 0.65 -4.76 119.74 120.97 2kh2 s LYS 74 Ca 0.13 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.36 2kh2 s LYS 74 Cb -0.16 -2.31 -0.01 0.00 -0.52 0.00 0.00 37.83 34.83 2kh2 s LYS 74 CO 0.10 -0.52 0.76 -3.47 -0.92 0.00 0.00 175.35 171.30 2kh2 n ASP 75 N 4.78 -2.80 -1.19 2.83 4.64 -1.26 -2.58 116.55 120.97 2kh2 n ASP 75 Ca -0.12 -0.49 -0.15 0.00 -1.38 0.00 0.00 54.79 52.65 2kh2 n ASP 75 Cb 0.46 -4.08 -0.06 0.00 -1.04 0.00 0.00 41.12 36.40 2kh2 n ASP 75 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2kh2 n ASP 76 N -2.68 -5.06 -3.94 1.67 9.92 -1.26 -4.95 116.55 110.25 2kh2 n ASP 76 Ca -0.19 0.36 -0.22 0.00 -0.53 0.00 0.00 54.79 54.21 2kh2 n ASP 76 Cb 0.62 -4.15 -0.16 0.00 -0.64 0.00 0.00 41.12 36.79 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 -3.19 1.16 -0.01 -1.24 2.47 -1.06 -5.11 119.74 112.76 2kh2 s LYS 77 Ca 0.00 -0.22 -0.30 0.00 -1.56 0.00 0.00 55.97 53.89 2kh2 s LYS 77 Cb 0.00 -1.07 -0.06 0.00 -1.46 0.00 0.00 37.83 35.24 2kh2 s LYS 77 CO 0.00 -0.05 1.64 -2.14 0.16 0.00 0.00 175.35 174.96 2kh2 s PRO 78 N 0.87 4.19 0.11 4.03 0.02 -1.26 -0.25 135.00 142.71 2kh2 s PRO 78 Ca -0.11 2.22 0.05 0.00 0.02 0.00 0.00 61.00 63.18 2kh2 s PRO 78 Cb -0.15 -3.86 -0.04 0.00 0.02 0.00 0.00 34.50 30.48 2kh2 s PRO 78 CO 0.01 -0.79 -0.13 0.99 -0.33 0.00 0.00 177.00 176.74 2kh2 s THR 79 N 3.54 1.21 0.01 0.99 2.01 0.18 -4.71 115.64 118.88 2kh2 s THR 79 Ca 0.73 -1.62 -0.14 0.00 0.31 0.00 0.00 61.69 60.98 2kh2 s THR 79 Cb -0.35 -1.40 -0.06 0.00 0.01 0.00 0.00 72.50 70.70 2kh2 s THR 79 CO 0.30 -0.40 0.40 -0.22 -0.69 0.00 0.00 174.62 174.01 2kh2 s LEU 80 N -2.30 4.45 0.19 4.42 2.96 -1.26 -1.26 118.68 125.87 2kh2 s LEU 80 Ca 0.06 0.93 -0.08 0.00 -0.22 0.00 0.00 54.13 54.81 2kh2 s LEU 80 Cb -0.06 -2.65 -0.01 0.00 0.50 0.00 0.00 46.19 43.97 2kh2 s LEU 80 CO 0.02 0.30 0.29 0.00 -1.32 0.00 0.00 176.35 175.65 2kh2 s GLN 81 N -1.23 1.24 -0.31 1.98 -2.07 0.92 -4.90 119.66 115.29 2kh2 s GLN 81 Ca 0.25 -1.28 -0.09 0.00 -1.82 0.00 0.00 55.36 52.43 2kh2 s GLN 81 Cb -0.16 0.38 0.00 0.00 -1.09 0.00 0.00 33.01 32.14 2kh2 s GLN 81 CO 0.14 -0.46 0.13 -0.51 -1.32 0.00 0.00 175.29 173.27 2kh2 s LEU 82 N -3.01 4.07 -0.11 2.60 2.01 -1.26 -0.25 118.68 122.72 2kh2 s LEU 82 Ca 0.22 -0.66 -0.06 0.00 0.01 0.00 0.00 54.13 53.64 2kh2 s LEU 82 Cb 0.03 -1.95 -0.04 0.00 0.01 0.00 0.00 46.19 44.24 2kh2 s LEU 82 CO 0.04 -0.22 0.10 -1.61 1.01 0.00 0.00 176.35 175.67 2kh2 s GLU 83 N 1.56 3.35 -0.74 1.70 2.02 -0.13 -4.90 118.70 121.55 2kh2 s GLU 83 Ca 0.03 -0.21 -0.09 0.00 0.02 0.00 0.00 54.97 54.72 2kh2 s GLU 83 Cb -0.17 -3.09 0.19 0.00 0.10 0.00 0.00 34.13 31.16 2kh2 s GLU 83 CO 0.05 0.74 0.63 -1.12 0.02 0.00 0.00 175.26 175.57 2kh2 s SER 84 N -0.92 6.12 0.53 -0.19 0.01 -1.26 -1.29 113.70 116.70 2kh2 s SER 84 Ca 0.14 -2.75 -0.00 0.00 1.31 0.00 0.00 55.95 54.65 2kh2 s SER 84 Cb -0.12 -2.06 0.02 0.00 0.21 0.00 0.00 66.02 64.07 2kh2 s SER 84 CO 0.03 -0.49 0.77 0.68 0.41 0.00 0.00 173.24 174.64 2kh2 s VAL 85 N 0.08 3.23 -0.27 3.43 -7.23 -1.05 -4.99 120.40 113.60 2kh2 s VAL 85 Ca 0.17 -0.50 -0.31 0.00 -1.81 0.00 0.00 61.98 59.53 2kh2 s VAL 85 Cb -0.15 -3.22 -0.08 0.00 0.56 0.00 0.00 36.38 33.49 2kh2 s VAL 85 CO -0.06 -0.17 2.21 -0.67 -0.31 0.00 0.00 175.10 176.10 2kh2 n ASP 86 N -2.32 2.77 0.27 4.85 4.64 -1.26 -4.85 116.55 120.66 2kh2 n ASP 86 Ca 0.05 0.29 0.11 0.00 -1.38 0.00 0.00 54.79 53.85 2kh2 n ASP 86 Cb 0.59 -1.43 0.73 0.00 -1.04 0.00 0.00 41.12 39.97 2kh2 n ASP 86 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2kh2 h PRO 87 N 13.97 0.00 0.00 -0.67 0.13 -1.92 -1.60 132.00 141.91 2kh2 h PRO 87 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2kh2 h PRO 87 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kh2 h PRO 87 CO 0.99 0.02 -0.09 0.36 -0.23 0.00 0.00 178.00 179.04 2kh2 n LYS 88 N -4.24 0.10 -0.03 0.86 2.85 -1.26 -3.37 118.16 113.07 2kh2 n LYS 88 Ca -0.03 0.07 0.01 0.00 -1.05 0.00 0.00 58.31 57.32 2kh2 n LYS 88 Cb 0.10 -1.61 0.03 0.00 -0.65 0.00 0.00 35.03 32.91 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 -1.78 1.91 -4.05 -5.58 3.02 -0.68 -5.01 115.26 103.09 2kh2 n ASN 89 Ca 0.06 -1.71 -0.17 0.00 -0.03 0.00 0.00 54.58 52.72 2kh2 n ASN 89 Cb 0.37 -0.04 -0.14 0.00 -0.61 0.00 0.00 39.78 39.37 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 -0.75 0.84 0.68 3.10 1.51 -0.75 -4.43 117.35 117.55 2kh2 s TYR 90 Ca 0.05 -0.27 -0.09 0.00 -1.01 0.00 0.00 57.07 55.75 2kh2 s TYR 90 Cb 0.03 -0.52 0.15 0.00 -0.11 0.00 0.00 41.96 41.51 2kh2 s TYR 90 CO 0.04 -0.01 0.92 -0.35 -1.11 0.00 0.00 175.55 175.04 2kh2 n PRO 91 N 2.34 -0.70 -3.91 -1.71 -0.04 -1.26 -4.75 135.00 124.96 2kh2 n PRO 91 Ca -0.16 -1.65 -0.09 0.00 -0.04 0.00 0.00 63.50 61.56 2kh2 n PRO 91 Cb 0.56 -0.88 -0.07 0.00 -0.04 0.00 0.00 33.50 33.07 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 -4.96 0.96 0.13 0.54 -2.85 -1.26 -5.07 119.74 107.23 2kh2 s LYS 92 Ca 0.54 -1.07 -0.15 0.00 -1.00 0.00 0.00 55.97 54.29 2kh2 s LYS 92 Cb -0.02 0.35 -0.02 0.00 -2.06 0.00 0.00 37.83 36.08 2kh2 s LYS 92 CO 0.37 -0.32 1.59 -0.22 0.10 0.00 0.00 175.35 176.87 2kh2 h LYS 93 N 2.69 0.70 -3.79 1.78 3.64 -1.97 -3.35 116.57 116.26 2kh2 h LYS 93 Ca -0.33 -0.21 -0.75 0.00 -1.27 0.00 0.00 60.65 58.09 2kh2 h LYS 93 Cb 1.21 -0.07 -0.29 0.00 -0.41 0.00 0.00 32.23 32.67 2kh2 h LYS 93 CO 0.54 0.77 -0.10 0.21 -2.27 0.00 0.00 179.45 178.60 2kh2 s LYS 94 N -5.07 3.17 0.68 1.90 2.47 -1.26 -3.66 119.74 117.97 2kh2 s LYS 94 Ca -0.13 -2.42 -0.06 0.00 -1.56 0.00 0.00 55.97 51.81 2kh2 s LYS 94 Cb 0.10 -4.17 0.05 0.00 -1.46 0.00 0.00 37.83 32.36 2kh2 s LYS 94 CO 0.79 -1.25 0.98 -1.64 0.16 0.00 0.00 175.35 174.39 2kh2 s MET 95 N 0.21 2.29 0.58 4.03 -1.94 -1.26 -5.04 119.30 118.17 2kh2 s MET 95 Ca 0.16 -0.30 -0.19 0.00 -1.71 0.00 0.00 55.69 53.66 2kh2 s MET 95 Cb -0.15 -2.22 -0.04 0.00 2.01 0.00 0.00 34.83 34.43 2kh2 s MET 95 CO -0.06 -1.13 1.18 -1.21 -0.01 0.00 0.00 175.02 173.79 2kh2 s GLU 96 N -5.17 3.09 0.61 2.03 8.01 -1.26 -4.87 118.70 121.14 2kh2 s GLU 96 Ca 0.59 1.75 0.35 0.00 0.01 0.00 0.00 54.97 57.67 2kh2 s GLU 96 Cb -0.11 -1.95 2.00 0.00 -4.31 0.00 0.00 34.13 29.76 2kh2 s GLU 96 CO 0.44 -1.10 2.28 -0.22 0.01 0.00 0.00 175.26 176.67 2kh2 h LYS 97 N 0.96 0.00 0.00 1.61 3.64 -1.96 0.11 116.57 120.93 2kh2 h LYS 97 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2kh2 h LYS 97 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2kh2 h LYS 97 CO 0.56 0.01 0.00 2.89 -2.27 0.00 0.00 179.45 180.64 2kh2 n ARG 98 N -3.56 0.01 -0.01 1.90 1.85 -1.26 -2.72 116.66 112.87 2kh2 n ARG 98 Ca -0.03 0.09 0.04 0.00 -1.00 0.00 0.00 57.85 56.95 2kh2 n ARG 98 Cb 0.09 -1.52 0.04 0.00 -1.05 0.00 0.00 32.46 30.03 2kh2 n ARG 98 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2kh2 n PHE 99 N -1.55 0.04 -3.49 2.89 3.72 0.33 -0.94 117.46 118.46 2kh2 n PHE 99 Ca 0.06 -0.05 -0.39 0.00 -0.05 0.00 0.00 57.45 57.02 2kh2 n PHE 99 Cb 0.29 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.73 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 -0.76 5.24 0.07 -4.37 1.01 -1.00 -4.14 120.40 116.45 2kh2 s VAL 100 Ca 0.11 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.40 2kh2 s VAL 100 Cb 0.08 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2kh2 s VAL 100 CO 0.11 0.13 -0.17 -0.36 0.00 0.00 0.00 175.10 174.81 2kh2 s PHE 101 N 1.90 2.58 -0.37 5.22 0.08 -0.43 -2.43 117.98 124.54 2kh2 s PHE 101 Ca 0.10 -0.24 -0.11 0.00 0.12 0.00 0.00 56.93 56.81 2kh2 s PHE 101 Cb -0.16 -1.43 0.02 0.00 -0.57 0.00 0.00 43.02 40.88 2kh2 s PHE 101 CO 0.11 0.31 0.20 -0.80 -0.10 0.00 0.00 175.22 174.94 2kh2 s ASN 102 N -1.71 5.72 -0.60 1.36 -0.87 0.20 -0.30 114.94 118.74 2kh2 s ASN 102 Ca 0.16 -0.95 -0.28 0.00 -1.57 0.00 0.00 52.86 50.23 2kh2 s ASN 102 Cb -0.11 -2.02 0.02 0.00 -0.02 0.00 0.00 41.25 39.12 2kh2 s ASN 102 CO 0.08 -0.37 1.38 -0.75 -2.57 0.00 0.00 177.10 174.86 2kh2 s LYS 103 N 1.56 3.28 0.11 -0.60 2.20 0.58 -1.59 119.74 125.28 2kh2 s LYS 103 Ca 0.02 0.31 -0.20 0.00 -0.36 0.00 0.00 55.97 55.74 2kh2 s LYS 103 Cb -0.19 -4.13 -0.07 0.00 -1.51 0.00 0.00 37.83 31.93 2kh2 s LYS 103 CO 0.07 -1.97 0.62 0.42 -0.36 0.00 0.00 175.35 174.12 2kh2 s ILE 104 N 5.97 4.67 -0.66 5.43 1.01 0.16 -0.97 121.20 136.81 2kh2 s ILE 104 Ca 0.49 1.28 0.06 0.00 0.00 0.00 0.00 60.65 62.48 2kh2 s ILE 104 Cb -0.10 -3.93 0.22 0.00 0.01 0.00 0.00 42.46 38.67 2kh2 s ILE 104 CO 0.23 0.50 0.67 -0.62 0.00 0.00 0.00 174.94 175.72 2kh2 n GLU 105 N 1.55 2.29 -0.03 2.79 1.02 -0.17 -0.66 120.64 127.44 2kh2 n GLU 105 Ca -0.09 -4.60 -0.08 0.00 -0.02 0.00 0.00 57.16 52.37 2kh2 n GLU 105 Cb 0.50 -2.25 -0.02 0.00 -0.02 0.00 0.00 31.44 29.65 2kh2 n GLU 105 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 2kh2 h ILE 106 N 3.54 0.57 0.00 -3.67 3.07 -1.85 -3.47 117.51 115.71 2kh2 h ILE 106 Ca 0.18 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.59 2kh2 h ILE 106 Cb 0.69 0.57 0.00 0.00 -0.27 0.00 0.00 36.82 37.81 2kh2 h ILE 106 CO 0.79 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.43 2kh2 n ASN 107 N -5.31 0.00 0.04 2.16 0.23 -1.26 -4.99 115.26 106.13 2kh2 n ASN 107 Ca -0.02 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.14 2kh2 n ASN 107 Cb 0.22 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 37.94 2kh2 n ASN 107 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2kh2 n ASN 108 N 0.00 0.60 -4.69 0.53 4.05 -1.26 -4.89 115.26 109.61 2kh2 n ASN 108 Ca 0.00 -0.11 -0.28 0.00 0.45 0.00 0.00 54.58 54.63 2kh2 n ASN 108 Cb 0.00 0.80 -0.08 0.00 1.23 0.00 0.00 39.78 41.73 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2kh2 s LYS 109 N -3.24 2.53 -0.05 1.20 -0.14 -1.26 -4.96 119.74 113.83 2kh2 s LYS 109 Ca 0.03 -0.94 0.04 0.00 -1.36 0.00 0.00 55.97 53.74 2kh2 s LYS 109 Cb 0.14 -2.49 -0.02 0.00 -1.68 0.00 0.00 37.83 33.78 2kh2 s LYS 109 CO 0.80 0.50 -0.17 -0.51 -0.76 0.00 0.00 175.35 175.22 2kh2 s LEU 110 N -2.62 2.58 0.11 3.17 1.43 0.45 -3.55 118.68 120.25 2kh2 s LEU 110 Ca 0.27 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.18 2kh2 s LEU 110 Cb -0.11 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 2kh2 s LEU 110 CO 0.19 0.33 -0.11 -1.61 0.23 0.00 0.00 176.35 175.38 2kh2 s GLU 111 N -0.65 2.08 -0.30 1.70 2.02 0.16 0.34 118.70 124.05 2kh2 s GLU 111 Ca 0.10 -1.06 0.01 0.00 0.02 0.00 0.00 54.97 54.04 2kh2 s GLU 111 Cb -0.11 -2.27 0.07 0.00 0.10 0.00 0.00 34.13 31.91 2kh2 s GLU 111 CO 0.00 0.50 -0.01 -0.06 0.02 0.00 0.00 175.26 175.71 2kh2 s PHE 112 N -1.24 3.37 0.02 1.61 0.08 -1.26 0.37 117.98 120.93 2kh2 s PHE 112 Ca 0.21 -2.24 -0.01 0.00 0.12 0.00 0.00 56.93 55.01 2kh2 s PHE 112 Cb -0.11 -2.26 -0.04 0.00 -0.57 0.00 0.00 43.02 40.04 2kh2 s PHE 112 CO 0.13 -0.87 0.19 -2.00 -0.10 0.00 0.00 175.22 172.58 2kh2 s GLU 113 N 1.14 3.42 -0.02 0.44 2.12 -0.62 -1.89 118.70 123.28 2kh2 s GLU 113 Ca -0.03 -0.38 -0.24 0.00 0.36 0.00 0.00 54.97 54.68 2kh2 s GLU 113 Cb -0.20 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 2kh2 s GLU 113 CO -0.04 0.65 0.72 0.45 -0.54 0.00 0.00 175.26 176.50 2kh2 s SER 114 N -2.18 7.08 0.19 -1.70 0.15 0.00 0.58 113.70 117.82 2kh2 s SER 114 Ca 0.30 1.29 -0.02 0.00 0.70 0.00 0.00 55.95 58.23 2kh2 s SER 114 Cb -0.13 -2.43 0.09 0.00 -1.71 0.00 0.00 66.02 61.84 2kh2 s SER 114 CO 0.22 -0.06 1.47 0.00 1.20 0.00 0.00 173.24 176.08 2kh2 h ALA 115 N 6.28 0.65 -0.47 5.45 0.00 -1.72 -3.07 119.26 126.37 2kh2 h ALA 115 Ca -0.42 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 53.82 2kh2 h ALA 115 Cb 1.20 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2kh2 h ALA 115 CO 0.73 0.73 -0.09 0.37 0.00 0.00 0.00 179.25 181.00 2kh2 h GLN 116 N 0.32 0.85 -3.45 0.00 5.75 -1.77 -3.38 115.11 113.43 2kh2 h GLN 116 Ca -0.02 -0.28 -0.61 0.00 -0.15 0.00 0.00 58.65 57.60 2kh2 h GLN 116 Cb 1.22 -0.07 -0.40 0.00 1.07 0.00 0.00 27.48 29.29 2kh2 h GLN 116 CO 0.12 0.91 -0.74 -0.06 -2.65 0.00 0.00 178.83 176.40 2kh2 s PHE 117 N -4.84 2.14 0.52 3.99 0.08 -1.17 -5.10 117.98 113.59 2kh2 s PHE 117 Ca -0.10 -2.25 -0.23 0.00 0.12 0.00 0.00 56.93 54.48 2kh2 s PHE 117 Cb 0.14 -1.99 -0.06 0.00 -0.57 0.00 0.00 43.02 40.54 2kh2 s PHE 117 CO 0.83 -0.84 1.35 -2.14 -0.10 0.00 0.00 175.22 174.32 2kh2 s PRO 118 N 0.92 3.33 0.00 0.24 0.02 -1.18 -2.42 135.00 135.90 2kh2 s PRO 118 Ca 0.14 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.37 2kh2 s PRO 118 Cb -0.21 -2.36 0.00 0.00 0.02 0.00 0.00 34.50 31.95 2kh2 s PRO 118 CO -0.11 -1.03 0.00 0.09 -0.33 0.00 0.00 177.00 175.62 2kh2 n ASN 119 N -0.79 -1.57 -4.28 2.53 5.03 -1.26 -4.99 115.26 109.93 2kh2 n ASN 119 Ca 0.09 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.17 2kh2 n ASN 119 Cb 0.45 -0.67 -0.13 0.00 -1.02 0.00 0.00 39.78 38.41 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2kh2 s TRP 120 N -2.75 3.19 0.19 3.10 0.52 -1.02 -4.27 118.94 117.90 2kh2 s TRP 120 Ca 0.00 -1.31 0.09 0.00 0.02 0.00 0.00 56.10 54.90 2kh2 s TRP 120 Cb 0.00 -2.23 -0.04 0.00 -1.15 0.00 0.00 33.47 30.05 2kh2 s TRP 120 CO 0.00 -0.68 -0.12 0.71 0.02 0.00 0.00 176.95 176.88 2kh2 s TYR 121 N 1.42 2.57 -0.19 -1.98 1.51 0.68 -0.82 117.35 120.54 2kh2 s TYR 121 Ca -0.00 -0.25 -0.29 0.00 -1.01 0.00 0.00 57.07 55.52 2kh2 s TYR 121 Cb -0.18 -1.25 -0.04 0.00 -0.11 0.00 0.00 41.96 40.38 2kh2 s TYR 121 CO 0.02 0.52 1.74 0.42 -1.11 0.00 0.00 175.55 177.13 2kh2 s ILE 122 N -1.74 3.53 0.23 2.71 1.01 -0.79 -0.53 121.20 125.61 2kh2 s ILE 122 Ca 0.25 0.59 0.10 0.00 0.00 0.00 0.00 60.65 61.59 2kh2 s ILE 122 Cb -0.08 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 2kh2 s ILE 122 CO 0.14 -0.23 -0.09 -0.44 0.00 0.00 0.00 174.94 174.33 2kh2 s SER 123 N 4.80 4.20 -0.05 3.58 0.01 0.96 -4.42 113.70 122.78 2kh2 s SER 123 Ca 0.77 -0.70 -0.06 0.00 1.31 0.00 0.00 55.95 57.28 2kh2 s SER 123 Cb -0.28 -0.67 0.01 0.00 0.21 0.00 0.00 66.02 65.30 2kh2 s SER 123 CO 0.31 0.06 0.15 0.42 0.41 0.00 0.00 173.24 174.59 2kh2 s THR 124 N -2.07 0.01 0.81 1.44 -4.23 -0.69 -2.17 115.64 108.73 2kh2 s THR 124 Ca 0.28 -0.06 -0.12 0.00 -1.18 0.00 0.00 61.69 60.61 2kh2 s THR 124 Cb -0.07 -0.24 0.07 0.00 1.34 0.00 0.00 72.50 73.60 2kh2 s THR 124 CO 0.17 -0.04 1.12 -0.44 -0.54 0.00 0.00 174.62 174.89 2kh2 s SER 125 N -0.05 4.47 0.42 3.99 0.01 -1.26 0.39 113.70 121.67 2kh2 s SER 125 Ca -0.01 1.14 0.23 0.00 1.31 0.00 0.00 55.95 58.61 2kh2 s SER 125 Cb -0.02 -1.82 0.58 0.00 0.21 0.00 0.00 66.02 64.97 2kh2 s SER 125 CO 0.00 -1.96 1.68 1.56 0.41 0.00 0.00 173.24 174.93 2kh2 h GLN 126 N -1.09 0.00 -7.27 12.44 1.08 -1.97 -3.45 115.11 114.84 2kh2 h GLN 126 Ca -0.47 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.21 2kh2 h GLN 126 Cb 1.29 0.00 0.15 0.00 -0.05 0.00 0.00 27.48 28.87 2kh2 h GLN 126 CO 0.62 0.18 0.30 0.00 -0.95 0.00 0.00 178.83 178.97 2kh2 s ALA 127 N -3.33 1.98 0.17 3.87 0.00 -1.26 -5.02 121.76 118.17 2kh2 s ALA 127 Ca 0.04 0.48 -0.12 0.00 0.00 0.00 0.00 51.96 52.35 2kh2 s ALA 127 Cb 0.08 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.76 2kh2 s ALA 127 CO 0.66 -2.09 0.54 -2.00 0.00 0.00 0.00 175.76 172.87 2kh2 s GLU 128 N -4.63 3.91 -1.01 0.00 2.56 -1.26 -4.17 118.70 114.09 2kh2 s GLU 128 Ca 0.65 0.40 0.00 0.00 0.00 0.00 0.00 54.97 56.02 2kh2 s GLU 128 Cb -0.21 -2.85 0.00 0.00 2.00 0.00 0.00 34.13 33.07 2kh2 s GLU 128 CO 0.54 0.44 0.00 -1.71 -0.56 0.00 0.00 175.26 173.97 2kh2 n ASN 129 N 0.53 -3.84 -4.83 -1.70 5.15 -1.21 -5.01 115.26 104.36 2kh2 n ASN 129 Ca -0.04 0.09 -0.38 0.00 -0.60 0.00 0.00 54.58 53.66 2kh2 n ASN 129 Cb 0.52 -2.80 -0.06 0.00 -0.53 0.00 0.00 39.78 36.91 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 -3.95 3.90 1.07 1.20 -1.94 -1.22 -4.87 119.30 113.50 2kh2 s MET 130 Ca 0.00 0.30 -0.16 0.00 -1.71 0.00 0.00 55.69 54.13 2kh2 s MET 130 Cb 0.00 -3.25 0.23 0.00 2.01 0.00 0.00 34.83 33.82 2kh2 s MET 130 CO 0.00 0.63 1.12 -2.14 -0.01 0.00 0.00 175.02 174.62 2kh2 s PRO 131 N -0.81 -0.20 -0.13 2.03 0.02 -1.26 -0.02 135.00 134.63 2kh2 s PRO 131 Ca 0.22 0.16 -0.13 0.00 0.02 0.00 0.00 61.00 61.27 2kh2 s PRO 131 Cb -0.16 -1.70 -0.05 0.00 0.02 0.00 0.00 34.50 32.62 2kh2 s PRO 131 CO 0.11 -3.07 0.29 0.08 -0.33 0.00 0.00 177.00 174.07 2kh2 s VAL 132 N -3.09 5.29 0.27 3.83 1.01 -0.15 -4.65 120.40 122.92 2kh2 s VAL 132 Ca 0.68 0.54 0.02 0.00 0.00 0.00 0.00 61.98 63.22 2kh2 s VAL 132 Cb -0.13 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2kh2 s VAL 132 CO 0.56 0.45 0.24 0.72 0.00 0.00 0.00 175.10 177.07 2kh2 s PHE 133 N -0.00 1.40 -0.23 5.22 -0.12 -0.92 -4.87 117.98 118.46 2kh2 s PHE 133 Ca 0.17 -1.48 -0.09 0.00 -0.05 0.00 0.00 56.93 55.48 2kh2 s PHE 133 Cb -0.13 -0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 41.65 2kh2 s PHE 133 CO 0.05 -0.80 0.12 -1.17 -0.05 0.00 0.00 175.22 173.37 2kh2 s LEU 134 N -3.26 3.96 0.16 -1.99 2.96 -1.26 -0.03 118.68 119.22 2kh2 s LEU 134 Ca 0.39 0.07 0.06 0.00 -0.22 0.00 0.00 54.13 54.42 2kh2 s LEU 134 Cb 0.04 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2kh2 s LEU 134 CO 0.20 0.08 -0.12 -0.83 -1.32 0.00 0.00 176.35 174.36 2kh2 s GLY 135 N 0.93 1.18 0.00 7.98 0.00 0.31 -4.87 107.32 112.85 2kh2 s GLY 135 Ca 0.06 -1.53 0.05 0.00 0.00 0.00 0.00 44.72 43.31 2kh2 s GLY 135 CO 0.03 -1.63 1.05 0.61 0.00 0.00 0.00 173.10 173.17 2kh2 n GLY 136 N -0.20 2.29 3.17 0.20 0.00 -1.26 -0.23 105.19 109.16 2kh2 n GLY 136 Ca -0.10 -0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.31 2kh2 n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kh2 n THR 137 N 0.04 4.72 -2.12 2.61 -2.24 -1.26 -4.91 114.28 111.11 2kh2 n THR 137 Ca 0.05 -5.27 -0.42 0.00 -2.27 0.00 0.00 64.05 56.14 2kh2 n THR 137 Cb 0.30 -2.36 -0.03 0.00 -2.10 0.00 0.00 70.33 66.14 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 -0.95 4.26 -0.33 -0.78 2.20 -1.26 -2.30 119.74 120.58 2kh2 s LYS 138 Ca 0.35 2.09 0.00 0.00 -0.36 0.00 0.00 55.97 58.05 2kh2 s LYS 138 Cb -0.00 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 2kh2 s LYS 138 CO 0.01 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 2kh2 n GLY 139 N 3.74 0.42 0.00 5.54 0.00 -1.26 -5.02 105.19 108.60 2kh2 n GLY 139 Ca 0.14 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.72 2.40 0.12 -0.02 0.00 -0.97 -5.02 105.19 99.98 2kh2 n GLY 140 Ca -0.04 -1.51 -0.15 0.00 0.00 0.00 0.00 46.02 44.32 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 0.30 -6.82 1.61 7.50 -1.96 -3.45 115.11 112.30 2kh2 h GLN 141 Ca 0.00 -0.27 -0.49 0.00 0.50 0.00 0.00 58.65 58.40 2kh2 h GLN 141 Cb 0.00 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.59 2kh2 h GLN 141 CO 0.00 0.93 0.39 -0.51 -1.50 0.00 0.00 178.83 178.14 2kh2 s ASP 142 N -6.40 7.39 0.02 1.46 1.01 -1.26 -4.46 116.67 114.42 2kh2 s ASP 142 Ca -0.15 2.02 -0.30 0.00 0.71 0.00 0.00 52.55 54.83 2kh2 s ASP 142 Cb 0.03 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 2kh2 s ASP 142 CO 0.77 -0.04 1.08 -0.63 0.21 0.00 0.00 175.17 176.56 2kh2 s ILE 143 N -1.32 4.51 -0.33 0.77 1.01 0.16 -4.60 121.20 121.40 2kh2 s ILE 143 Ca 0.46 1.80 0.06 0.00 0.00 0.00 0.00 60.65 62.96 2kh2 s ILE 143 Cb -0.26 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 2kh2 s ILE 143 CO 0.32 0.13 0.30 0.35 0.00 0.00 0.00 174.94 176.04 2kh2 n THR 144 N 3.94 0.00 -3.78 2.92 -2.24 -1.26 -1.71 114.28 112.15 2kh2 n THR 144 Ca 0.07 -0.39 -0.36 0.00 -2.27 0.00 0.00 64.05 61.11 2kh2 n THR 144 Cb 0.49 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.68 2kh2 n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2kh2 s ASP 145 N -1.38 6.49 0.30 3.42 -4.77 -1.26 -4.04 116.67 115.44 2kh2 s ASP 145 Ca 0.03 0.57 0.05 0.00 -3.30 0.00 0.00 52.55 49.90 2kh2 s ASP 145 Cb 0.04 -2.10 -0.03 0.00 -1.09 0.00 0.00 42.92 39.74 2kh2 s ASP 145 CO 0.20 0.33 0.22 -0.36 0.70 0.00 0.00 175.17 176.27 2kh2 s PHE 146 N -1.16 1.61 -0.04 2.11 0.08 0.15 -4.00 117.98 116.74 2kh2 s PHE 146 Ca 0.22 -1.55 0.02 0.00 0.12 0.00 0.00 56.93 55.74 2kh2 s PHE 146 Cb -0.13 -0.72 0.01 0.00 -0.57 0.00 0.00 43.02 41.61 2kh2 s PHE 146 CO 0.11 -0.75 -0.09 0.99 -0.10 0.00 0.00 175.22 175.39 2kh2 s THR 147 N -3.62 0.79 -0.51 0.64 2.01 0.47 -0.41 115.64 115.02 2kh2 s THR 147 Ca 0.39 -0.33 -0.12 0.00 0.31 0.00 0.00 61.69 61.94 2kh2 s THR 147 Cb 0.04 -0.73 0.13 0.00 0.01 0.00 0.00 72.50 71.94 2kh2 s THR 147 CO 0.22 0.26 0.42 -0.32 -0.69 0.00 0.00 174.62 174.51 2kh2 s MET 148 N 0.45 2.71 -0.20 4.92 1.75 -1.26 -2.49 119.30 125.19 2kh2 s MET 148 Ca -0.07 -1.75 -0.15 0.00 -1.25 0.00 0.00 55.69 52.47 2kh2 s MET 148 Cb -0.11 -4.10 -0.04 0.00 2.84 0.00 0.00 34.83 33.42 2kh2 s MET 148 CO 0.01 -1.26 0.34 -0.65 -0.65 0.00 0.00 175.02 172.81 2kh2 s GLN 149 N 1.45 4.17 0.01 4.11 1.11 -1.05 -4.91 119.66 124.55 2kh2 s GLN 149 Ca 0.05 0.10 -0.30 0.00 0.01 0.00 0.00 55.36 55.21 2kh2 s GLN 149 Cb -0.28 -3.52 -0.05 0.00 -1.01 0.00 0.00 33.01 28.16 2kh2 s GLN 149 CO 0.01 0.03 1.28 -0.06 0.01 0.00 0.00 175.29 176.56 2kh2 s PHE 150 N 1.10 3.16 0.54 0.91 0.08 -1.26 -1.56 117.98 120.95 2kh2 s PHE 150 Ca 0.17 1.10 0.07 0.00 0.12 0.00 0.00 56.93 58.38 2kh2 s PHE 150 Cb -0.14 -3.52 0.05 0.00 -0.57 0.00 0.00 43.02 38.84 2kh2 s PHE 150 CO 0.07 -1.74 0.55 0.14 -0.10 0.00 0.00 175.22 174.13 2kh2 s VAL 151 N 1.86 1.93 -0.74 -0.44 -7.23 -1.07 -4.97 120.40 109.75 2kh2 s VAL 151 Ca 0.60 -1.29 -0.05 0.00 -1.81 0.00 0.00 61.98 59.43 2kh2 s VAL 151 Cb -0.29 -2.23 0.04 0.00 0.56 0.00 0.00 36.38 34.47 2kh2 s VAL 151 CO 0.26 0.00 2.74 -1.54 -0.31 0.00 0.00 175.10 176.25 2kh2 n SER 152 N -1.92 6.96 0.00 4.85 3.41 -1.26 -4.85 113.62 120.81 2kh2 n SER 152 Ca 0.05 -3.09 0.00 0.00 -0.26 0.00 0.00 58.87 55.57 2kh2 n SER 152 Cb 0.63 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68