#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 0.02 -5.49 0.00 0.13 -2.08 -3.42 132.00 121.15 2kh2 h PRO 2 Ca 0.00 -0.01 -0.64 0.00 -0.87 0.00 0.00 66.00 64.48 2kh2 h PRO 2 Cb 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.96 2kh2 h PRO 2 CO 0.00 0.49 -0.60 0.54 -0.23 0.00 0.00 178.00 178.19 2kh2 s VAL 3 N -3.97 4.45 0.12 1.56 0.11 -1.26 -5.11 120.40 116.30 2kh2 s VAL 3 Ca -0.02 -0.17 0.06 0.00 -2.93 0.00 0.00 61.98 58.92 2kh2 s VAL 3 Cb 0.14 -2.95 -0.04 0.00 -1.53 0.00 0.00 36.38 32.00 2kh2 s VAL 3 CO 0.74 0.52 -0.04 -0.13 -3.33 0.00 0.00 175.10 172.86 2kh2 s ARG 4 N -0.05 2.33 0.23 1.54 0.52 -1.26 -5.13 118.95 117.13 2kh2 s ARG 4 Ca 0.04 -0.99 -0.10 0.00 -0.52 0.00 0.00 55.73 54.17 2kh2 s ARG 4 Cb -0.13 -2.39 -0.01 0.00 0.52 0.00 0.00 34.95 32.94 2kh2 s ARG 4 CO 0.02 0.50 0.38 -1.12 0.02 0.00 0.00 175.30 175.10 2kh2 s SER 5 N -2.43 -0.02 -0.22 0.23 0.01 -1.26 -4.38 113.70 105.61 2kh2 s SER 5 Ca 0.24 -1.03 -0.24 0.00 1.31 0.00 0.00 55.95 56.24 2kh2 s SER 5 Cb -0.11 0.52 0.06 0.00 0.21 0.00 0.00 66.02 66.71 2kh2 s SER 5 CO 0.16 -1.05 0.65 -1.48 0.41 0.00 0.00 173.24 171.94 2kh2 s LEU 6 N -3.05 -0.50 0.14 2.44 0.05 -1.24 -5.00 118.68 111.52 2kh2 s LEU 6 Ca 0.26 1.24 -0.04 0.00 0.05 0.00 0.00 54.13 55.63 2kh2 s LEU 6 Cb 0.02 2.27 -0.05 0.00 -2.05 0.00 0.00 46.19 46.37 2kh2 s LEU 6 CO 0.09 -0.27 0.36 0.20 -0.55 0.00 0.00 176.35 176.18 2kh2 s ASN 7 N 0.15 6.48 0.03 1.48 0.01 -1.26 -1.36 114.94 120.47 2kh2 s ASN 7 Ca -0.01 0.56 -0.29 0.00 -0.71 0.00 0.00 52.86 52.41 2kh2 s ASN 7 Cb -0.04 -2.08 0.10 0.00 0.41 0.00 0.00 41.25 39.64 2kh2 s ASN 7 CO 0.02 0.06 1.09 0.00 -1.51 0.00 0.00 177.10 176.76 2kh2 s THR 9 N -2.87 3.41 -0.07 0.00 2.01 0.38 -0.82 115.64 117.69 2kh2 s THR 9 Ca 0.11 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.24 2kh2 s THR 9 Cb 0.01 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 2kh2 s THR 9 CO -0.02 0.37 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.42 2kh2 s LEU 10 N -1.44 2.96 0.25 4.42 1.43 -1.26 -0.08 118.68 124.97 2kh2 s LEU 10 Ca 0.17 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2kh2 s LEU 10 Cb -0.11 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 2kh2 s LEU 10 CO 0.07 0.34 0.12 -0.13 0.23 0.00 0.00 176.35 176.98 2kh2 s ARG 11 N -0.67 1.40 0.37 1.70 0.52 -0.89 -3.79 118.95 117.60 2kh2 s ARG 11 Ca 0.10 -1.76 0.06 0.00 -0.52 0.00 0.00 55.73 53.61 2kh2 s ARG 11 Cb -0.11 -0.08 0.06 0.00 0.52 0.00 0.00 34.95 35.34 2kh2 s ARG 11 CO 0.01 -0.36 0.51 -0.40 0.02 0.00 0.00 175.30 175.08 2kh2 n ASP 12 N -0.53 1.36 -0.07 0.23 5.68 -0.60 0.73 116.55 123.34 2kh2 n ASP 12 Ca 0.01 -1.98 0.15 0.00 -0.50 0.00 0.00 54.79 52.46 2kh2 n ASP 12 Cb 0.66 -0.27 0.73 0.00 -1.14 0.00 0.00 41.12 41.10 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 -2.57 0.28 -1.23 -1.12 3.41 -1.26 -3.20 113.62 107.94 2kh2 n SER 13 Ca 0.10 -0.60 0.12 0.00 -0.26 0.00 0.00 58.87 58.23 2kh2 n SER 13 Cb 0.38 -0.12 0.27 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.00 2.58 -1.13 4.33 1.13 -1.26 -4.93 117.38 117.10 2kh2 n GLN 14 Ca 0.17 -2.41 -0.05 0.00 -1.94 0.00 0.00 57.00 52.77 2kh2 n GLN 14 Cb 0.23 -1.54 -0.02 0.00 0.11 0.00 0.00 30.24 29.03 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 1.53 -0.40 -3.44 -1.09 1.13 -1.19 -4.94 117.38 108.98 2kh2 n GLN 15 Ca 0.22 0.61 -0.38 0.00 -1.94 0.00 0.00 57.00 55.51 2kh2 n GLN 15 Cb 0.60 -4.29 -0.06 0.00 0.11 0.00 0.00 30.24 26.61 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 -2.17 4.08 0.13 -1.09 1.02 -1.26 -3.65 119.74 116.79 2kh2 s LYS 16 Ca 0.00 0.41 0.07 0.00 0.02 0.00 0.00 55.97 56.46 2kh2 s LYS 16 Cb 0.00 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 2kh2 s LYS 16 CO 0.00 0.50 -0.02 -1.12 -0.92 0.00 0.00 175.35 173.79 2kh2 s SER 17 N -0.47 4.77 -0.01 2.83 0.01 0.97 -1.56 113.70 120.24 2kh2 s SER 17 Ca 0.24 -0.33 -0.27 0.00 1.31 0.00 0.00 55.95 56.90 2kh2 s SER 17 Cb -0.16 -1.03 -0.04 0.00 0.21 0.00 0.00 66.02 65.00 2kh2 s SER 17 CO 0.12 0.13 0.85 -0.76 0.41 0.00 0.00 173.24 173.99 2kh2 s LEU 18 N -2.59 4.37 0.16 2.44 1.43 -1.25 -1.82 118.68 121.42 2kh2 s LEU 18 Ca 0.26 1.47 0.07 0.00 -1.03 0.00 0.00 54.13 54.89 2kh2 s LEU 18 Cb -0.10 -3.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 2kh2 s LEU 18 CO 0.17 -0.16 -0.14 0.68 0.23 0.00 0.00 176.35 177.13 2kh2 s VAL 19 N 0.73 1.52 -0.51 -1.59 -7.23 0.46 -3.87 120.40 109.91 2kh2 s VAL 19 Ca 0.45 -1.96 -0.28 0.00 -1.81 0.00 0.00 61.98 58.37 2kh2 s VAL 19 Cb -0.20 -1.80 0.01 0.00 0.56 0.00 0.00 36.38 34.95 2kh2 s VAL 19 CO 0.24 -0.51 1.45 -0.04 -0.31 0.00 0.00 175.10 175.94 2kh2 s MET 20 N -3.16 3.35 -0.14 4.82 -1.94 -1.26 -2.19 119.30 118.77 2kh2 s MET 20 Ca 0.16 0.65 -0.26 0.00 -1.71 0.00 0.00 55.69 54.52 2kh2 s MET 20 Cb -0.03 -4.11 -0.25 0.00 2.01 0.00 0.00 34.83 32.45 2kh2 s MET 20 CO 0.04 -1.86 0.66 1.03 -0.01 0.00 0.00 175.02 174.88 2kh2 h SER 21 N 11.24 0.06 0.00 3.03 0.87 -1.79 -3.49 113.55 123.48 2kh2 h SER 21 Ca -0.27 -0.89 0.00 0.00 -1.23 0.00 0.00 61.79 59.40 2kh2 h SER 21 Cb 1.10 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2kh2 h SER 21 CO 1.15 1.16 0.00 0.61 -0.53 0.00 0.00 176.83 179.22 2kh2 n GLY 22 N 1.59 5.50 0.12 5.77 0.00 -1.22 -4.95 105.19 112.00 2kh2 n GLY 22 Ca -0.15 -1.14 -0.02 0.00 0.00 0.00 0.00 46.02 44.70 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 0.00 1.61 0.13 -2.03 -3.38 132.00 128.33 2kh2 h PRO 23 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kh2 h PRO 23 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kh2 h PRO 23 CO 0.00 0.69 -0.04 0.66 -0.23 0.00 0.00 178.00 179.08 2kh2 n TYR 24 N -3.60 0.00 -2.02 1.56 4.01 -1.26 -5.10 117.16 110.75 2kh2 n TYR 24 Ca -0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.39 2kh2 n TYR 24 Cb 0.70 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.76 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 -0.15 3.06 0.00 -0.72 2.12 -1.26 -4.82 118.70 116.94 2kh2 s GLU 25 Ca 0.00 1.57 0.03 0.00 0.36 0.00 0.00 54.97 56.93 2kh2 s GLU 25 Cb 0.00 -1.97 -0.01 0.00 0.26 0.00 0.00 34.13 32.41 2kh2 s GLU 25 CO 0.00 -1.07 -0.09 -0.51 -0.54 0.00 0.00 175.26 173.05 2kh2 s LEU 26 N -4.26 2.04 0.04 2.70 1.43 -1.26 -2.26 118.68 117.11 2kh2 s LEU 26 Ca 0.71 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 2kh2 s LEU 26 Cb -0.24 -0.43 -0.03 0.00 0.03 0.00 0.00 46.19 45.53 2kh2 s LEU 26 CO 0.33 0.08 -0.05 -0.54 0.23 0.00 0.00 176.35 176.40 2kh2 s LYS 27 N -0.36 0.46 -0.12 1.70 1.02 -0.93 -3.27 119.74 118.24 2kh2 s LYS 27 Ca 0.02 -0.79 0.01 0.00 0.02 0.00 0.00 55.97 55.24 2kh2 s LYS 27 Cb -0.04 -0.04 -0.01 0.00 -0.52 0.00 0.00 37.83 37.22 2kh2 s LYS 27 CO -0.00 -0.02 -0.17 0.00 -0.92 0.00 0.00 175.35 174.23 2kh2 s ALA 28 N -1.89 2.43 0.11 5.17 0.00 -0.78 -0.41 121.76 126.39 2kh2 s ALA 28 Ca -0.09 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 50.81 2kh2 s ALA 28 Cb -0.07 -1.06 0.02 0.00 0.00 0.00 0.00 23.12 22.00 2kh2 s ALA 28 CO -0.02 0.22 0.29 -0.48 0.00 0.00 0.00 175.76 175.78 2kh2 s LEU 29 N 0.41 0.92 -0.56 0.00 0.05 -0.76 -3.15 118.68 115.60 2kh2 s LEU 29 Ca -0.13 -0.51 -0.27 0.00 0.05 0.00 0.00 54.13 53.28 2kh2 s LEU 29 Cb -0.17 1.43 -0.03 0.00 -2.05 0.00 0.00 46.19 45.37 2kh2 s LEU 29 CO 0.06 -0.80 1.92 -1.00 -0.55 0.00 0.00 176.35 175.98 2kh2 s HIS 30 N -3.84 1.61 -0.40 3.48 3.76 -1.26 -0.02 115.29 118.62 2kh2 s HIS 30 Ca 0.05 0.86 -0.03 0.00 -0.15 0.00 0.00 55.06 55.79 2kh2 s HIS 30 Cb 0.03 -4.03 0.11 0.00 1.11 0.00 0.00 32.58 29.80 2kh2 s HIS 30 CO -0.11 -2.43 0.19 -1.17 -0.85 0.00 0.00 174.74 170.38 2kh2 s LEU 31 N 9.15 5.17 0.00 0.89 2.96 -1.24 -4.84 118.68 130.77 2kh2 s LEU 31 Ca 0.73 -1.96 0.12 0.00 -0.22 0.00 0.00 54.13 52.80 2kh2 s LEU 31 Cb -0.15 -1.83 0.20 0.00 0.50 0.00 0.00 46.19 44.91 2kh2 s LEU 31 CO 0.23 -0.53 1.03 1.67 -1.32 0.00 0.00 176.35 177.43 2kh2 n GLN 32 N 4.61 0.00 0.00 1.98 0.00 -1.26 -4.83 117.38 117.88 2kh2 n GLN 32 Ca -0.03 -1.35 0.00 0.00 -0.00 0.00 0.00 57.00 55.62 2kh2 n GLN 32 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 30.24 30.62 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2kh2 n GLY 33 N 0.23 4.95 0.26 1.69 0.00 -1.26 -5.00 105.19 106.05 2kh2 n GLY 33 Ca -0.02 -1.85 0.10 0.00 0.00 0.00 0.00 46.02 44.25 2kh2 n GLY 33 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2kh2 h GLN 34 N 0.00 0.00 -1.78 1.61 5.75 -2.02 -2.94 115.11 115.74 2kh2 h GLN 34 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2kh2 h GLN 34 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2kh2 h GLN 34 CO 0.00 0.11 0.00 -0.25 -2.65 0.00 0.00 178.83 176.04 2kh2 n ASP 35 N -3.94 4.00 0.20 -0.69 9.92 -1.26 -4.16 116.55 120.61 2kh2 n ASP 35 Ca -0.02 -2.06 0.14 0.00 -0.53 0.00 0.00 54.79 52.32 2kh2 n ASP 35 Cb 0.21 -0.82 0.60 0.00 -0.64 0.00 0.00 41.12 40.47 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 2kh2 h MET 36 N 1.15 0.00 -0.01 -1.24 4.05 -1.90 -1.55 114.93 115.43 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 0.85 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.65 2kh2 h MET 36 CO 0.00 0.00 -0.22 0.39 0.23 0.00 0.00 176.91 177.31 2kh2 n GLU 37 N -2.62 1.12 -1.69 0.39 -0.58 -1.26 -4.37 120.64 111.63 2kh2 n GLU 37 Ca 0.01 -0.71 -0.32 0.00 -0.42 0.00 0.00 57.16 55.72 2kh2 n GLU 37 Cb 0.25 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.60 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 -0.31 2.86 -4.56 3.49 6.02 -0.58 -4.89 117.38 119.40 2kh2 n GLN 38 Ca 0.13 -2.84 -0.26 0.00 -0.01 0.00 0.00 57.00 54.02 2kh2 n GLN 38 Cb 0.37 -2.24 -0.09 0.00 1.02 0.00 0.00 30.24 29.31 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 -2.30 1.92 0.34 -1.09 -2.07 -1.26 -4.75 119.66 110.45 2kh2 s GLN 39 Ca 0.56 -2.16 0.05 0.00 -1.82 0.00 0.00 55.36 51.99 2kh2 s GLN 39 Cb 0.37 -0.96 -0.07 0.00 -1.09 0.00 0.00 33.01 31.26 2kh2 s GLN 39 CO -0.25 -0.35 0.02 0.14 -1.32 0.00 0.00 175.29 173.53 2kh2 s VAL 40 N -3.12 1.51 -0.08 3.63 -7.23 -1.25 -4.93 120.40 108.93 2kh2 s VAL 40 Ca 0.24 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 2kh2 s VAL 40 Cb 0.04 -2.78 0.02 0.00 0.56 0.00 0.00 36.38 34.23 2kh2 s VAL 40 CO 0.12 -0.07 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.06 2kh2 s VAL 41 N -3.07 1.06 -0.10 1.32 1.01 -1.26 -4.55 120.40 114.80 2kh2 s VAL 41 Ca 0.35 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.80 2kh2 s VAL 41 Cb 0.08 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 2kh2 s VAL 41 CO 0.15 0.35 0.35 -0.36 0.00 0.00 0.00 175.10 175.59 2kh2 s PHE 42 N 1.09 3.56 -0.10 5.22 0.40 0.00 -2.79 117.98 125.37 2kh2 s PHE 42 Ca -0.07 0.76 -0.27 0.00 -0.60 0.00 0.00 56.93 56.75 2kh2 s PHE 42 Cb -0.14 -2.33 -0.02 0.00 0.51 0.00 0.00 43.02 41.04 2kh2 s PHE 42 CO -0.01 0.39 0.90 -1.12 0.70 0.00 0.00 175.22 176.07 2kh2 s SER 43 N -0.08 7.14 -0.50 1.36 0.01 0.05 -2.53 113.70 119.13 2kh2 s SER 43 Ca 0.20 1.39 -0.23 0.00 1.31 0.00 0.00 55.95 58.62 2kh2 s SER 43 Cb -0.14 -2.50 0.04 0.00 0.21 0.00 0.00 66.02 63.62 2kh2 s SER 43 CO 0.08 -0.35 0.85 -0.04 0.41 0.00 0.00 173.24 174.19 2kh2 s MET 44 N 1.69 3.36 -0.43 12.44 -1.94 -0.47 -3.30 119.30 130.64 2kh2 s MET 44 Ca 0.44 -0.23 -0.14 0.00 -1.71 0.00 0.00 55.69 54.05 2kh2 s MET 44 Cb -0.18 -4.00 0.05 0.00 2.01 0.00 0.00 34.83 32.71 2kh2 s MET 44 CO 0.18 -1.30 0.32 -1.12 -0.01 0.00 0.00 175.02 173.09 2kh2 s SER 45 N 2.51 6.00 -1.17 3.03 0.01 -0.64 -3.61 113.70 119.84 2kh2 s SER 45 Ca 0.29 -1.20 -0.21 0.00 1.31 0.00 0.00 55.95 56.14 2kh2 s SER 45 Cb -0.13 -2.12 -0.00 0.00 0.21 0.00 0.00 66.02 63.97 2kh2 s SER 45 CO 0.20 -0.54 1.79 -0.36 0.41 0.00 0.00 173.24 174.74 2kh2 s PHE 46 N 1.61 2.33 0.96 2.43 0.40 -1.26 -1.69 117.98 122.75 2kh2 s PHE 46 Ca 0.04 -0.49 -0.15 0.00 -0.60 0.00 0.00 56.93 55.72 2kh2 s PHE 46 Cb -0.22 -4.39 0.18 0.00 0.51 0.00 0.00 43.02 39.09 2kh2 s PHE 46 CO 0.07 -1.61 1.24 0.14 0.70 0.00 0.00 175.22 175.76 2kh2 s VAL 47 N 7.46 1.95 -0.23 -0.44 -7.23 -1.26 -4.88 120.40 115.77 2kh2 s VAL 47 Ca 0.60 0.00 -0.08 0.00 -1.81 0.00 0.00 61.98 60.68 2kh2 s VAL 47 Cb 0.00 -2.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 2kh2 s VAL 47 CO 0.06 0.00 0.10 -1.58 -0.31 0.00 0.00 175.10 173.37 2kh2 s GLN 48 N -5.68 3.87 0.00 4.82 2.00 -0.73 -4.74 119.66 119.20 2kh2 s GLN 48 Ca 0.70 -0.38 0.00 0.00 -2.00 0.00 0.00 55.36 53.68 2kh2 s GLN 48 Cb -0.08 -3.38 0.00 0.00 0.80 0.00 0.00 33.01 30.36 2kh2 s GLN 48 CO 0.53 -0.00 0.00 0.41 -0.50 0.00 0.00 175.29 175.72 2kh2 n GLY 49 N 4.41 1.64 3.56 2.59 0.00 -1.26 -4.86 105.19 111.26 2kh2 n GLY 49 Ca -0.16 0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 2kh2 n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kh2 s GLU 50 N 4.99 2.72 -0.04 1.61 2.12 -1.26 -4.94 118.70 123.89 2kh2 s GLU 50 Ca 0.00 0.90 0.06 0.00 0.36 0.00 0.00 54.97 56.30 2kh2 s GLU 50 Cb 0.00 -4.37 -0.01 0.00 0.26 0.00 0.00 34.13 30.01 2kh2 s GLU 50 CO 0.00 -2.60 -0.22 -2.00 -0.54 0.00 0.00 175.26 169.89 2kh2 s GLU 51 N 6.88 2.13 0.00 4.30 2.12 -1.26 -3.72 118.70 129.16 2kh2 s GLU 51 Ca 0.74 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 55.26 2kh2 s GLU 51 Cb -0.15 -1.89 0.00 0.00 0.26 0.00 0.00 34.13 32.34 2kh2 s GLU 51 CO 0.24 0.39 0.00 -1.13 -0.54 0.00 0.00 175.26 174.22 2kh2 n SER 52 N 2.84 1.25 -0.02 -1.70 3.41 0.94 -4.99 113.62 115.35 2kh2 n SER 52 Ca -0.17 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.49 2kh2 n SER 52 Cb 0.52 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.35 2kh2 n SER 52 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2kh2 n ASN 53 N 0.00 1.51 0.00 4.04 4.13 -1.26 -4.62 115.26 119.06 2kh2 n ASN 53 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2kh2 n ASN 53 Cb 0.00 1.53 0.00 0.00 -1.54 0.00 0.00 39.78 39.77 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2kh2 n ASP 54 N -2.13 1.54 -4.07 6.41 5.75 -1.26 -4.96 116.55 117.83 2kh2 n ASP 54 Ca -0.07 -0.27 -0.32 0.00 -0.01 0.00 0.00 54.79 54.13 2kh2 n ASP 54 Cb 0.51 0.84 -0.15 0.00 -1.03 0.00 0.00 41.12 41.28 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 -1.15 2.38 -0.00 0.11 2.20 -1.26 -1.20 119.74 120.82 2kh2 s LYS 55 Ca 0.00 -1.21 0.03 0.00 -0.36 0.00 0.00 55.97 54.43 2kh2 s LYS 55 Cb 0.00 -2.79 -0.01 0.00 -1.51 0.00 0.00 37.83 33.52 2kh2 s LYS 55 CO 0.00 -0.49 -0.08 0.42 -0.36 0.00 0.00 175.35 174.84 2kh2 s ILE 56 N 1.16 0.64 0.83 5.43 -1.09 -0.49 -0.04 121.20 127.63 2kh2 s ILE 56 Ca -0.06 -0.40 -0.14 0.00 -2.23 0.00 0.00 60.65 57.82 2kh2 s ILE 56 Cb -0.18 -0.55 0.00 0.00 -1.58 0.00 0.00 42.46 40.15 2kh2 s ILE 56 CO -0.07 0.15 0.55 -0.81 -1.23 0.00 0.00 174.94 173.53 2kh2 n PRO 57 N 2.78 0.05 -2.78 2.79 -0.04 -1.24 0.17 135.00 136.73 2kh2 n PRO 57 Ca -0.14 0.07 -0.09 0.00 -0.04 0.00 0.00 63.50 63.30 2kh2 n PRO 57 Cb 0.57 -1.91 0.04 0.00 -0.04 0.00 0.00 33.50 32.17 2kh2 n PRO 57 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2kh2 n VAL 58 N -2.98 -0.04 -1.65 0.52 3.14 0.58 -4.60 118.33 113.29 2kh2 n VAL 58 Ca 0.09 -1.66 -0.34 0.00 -2.96 0.00 0.00 64.34 59.47 2kh2 n VAL 58 Cb 0.51 1.28 -0.03 0.00 -1.06 0.00 0.00 33.84 34.54 2kh2 n VAL 58 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kh2 s ALA 59 N 0.57 1.61 -0.24 1.55 0.00 -0.68 -4.22 121.76 120.35 2kh2 s ALA 59 Ca 0.32 -0.21 -0.20 0.00 0.00 0.00 0.00 51.96 51.87 2kh2 s ALA 59 Cb 0.23 -4.37 -0.02 0.00 0.00 0.00 0.00 23.12 18.95 2kh2 s ALA 59 CO -0.24 -4.54 0.60 -0.51 0.00 0.00 0.00 175.76 171.07 2kh2 s LEU 60 N 11.95 4.09 0.16 0.00 1.43 -1.26 -1.62 118.68 133.42 2kh2 s LEU 60 Ca 0.91 0.70 -0.06 0.00 -1.03 0.00 0.00 54.13 54.66 2kh2 s LEU 60 Cb -0.16 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.23 2kh2 s LEU 60 CO 0.23 -0.31 0.20 -0.83 0.23 0.00 0.00 176.35 175.86 2kh2 s GLY 61 N 1.39 0.75 -0.03 -3.19 0.00 -1.21 -2.26 107.32 102.77 2kh2 s GLY 61 Ca 0.26 -1.16 -0.30 0.00 0.00 0.00 0.00 44.72 43.52 2kh2 s GLY 61 CO 0.09 -1.06 1.05 1.08 0.00 0.00 0.00 173.10 174.26 2kh2 s LEU 62 N -3.02 4.33 0.50 0.66 1.02 -0.68 -0.77 118.68 120.72 2kh2 s LEU 62 Ca 0.22 1.70 -0.23 0.00 0.02 0.00 0.00 54.13 55.84 2kh2 s LEU 62 Cb 0.05 -3.57 -0.06 0.00 0.02 0.00 0.00 46.19 42.63 2kh2 s LEU 62 CO 0.02 -0.39 1.37 2.29 0.02 0.00 0.00 176.35 179.67 2kh2 n LYS 63 N 4.36 1.89 -1.20 1.70 2.85 -1.12 -2.23 118.16 124.42 2kh2 n LYS 63 Ca 0.08 0.68 -0.09 0.00 -1.05 0.00 0.00 58.31 57.94 2kh2 n LYS 63 Cb 0.49 -2.57 -0.04 0.00 -0.65 0.00 0.00 35.03 32.26 2kh2 n LYS 63 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2kh2 n GLU 64 N -0.64 -1.73 -4.31 -1.58 0.28 -1.26 -4.94 120.64 106.46 2kh2 n GLU 64 Ca 0.08 0.75 -0.16 0.00 -0.16 0.00 0.00 57.16 57.67 2kh2 n GLU 64 Cb 0.43 -5.07 -0.10 0.00 1.43 0.00 0.00 31.44 28.13 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 -2.63 1.30 0.00 3.44 1.02 -0.95 -5.04 119.74 116.88 2kh2 s LYS 65 Ca 0.00 -1.66 0.21 0.00 0.02 0.00 0.00 55.97 54.55 2kh2 s LYS 65 Cb 0.00 -0.53 0.61 0.00 -0.52 0.00 0.00 37.83 37.39 2kh2 s LYS 65 CO 0.00 -0.12 1.50 0.27 -0.92 0.00 0.00 175.35 176.09 2kh2 n ASN 66 N -0.39 3.67 -4.69 2.83 6.94 -1.26 -4.69 115.26 117.68 2kh2 n ASN 66 Ca -0.05 -2.00 -0.41 0.00 -0.02 0.00 0.00 54.58 52.10 2kh2 n ASN 66 Cb 0.64 -0.46 -0.04 0.00 -2.36 0.00 0.00 39.78 37.56 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 -1.00 4.23 0.17 -4.53 1.43 -1.26 -2.96 118.68 114.76 2kh2 s LEU 67 Ca 0.46 1.17 0.07 0.00 -1.03 0.00 0.00 54.13 54.80 2kh2 s LEU 67 Cb 0.24 -3.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 2kh2 s LEU 67 CO 0.31 -0.29 -0.13 -0.31 0.23 0.00 0.00 176.35 176.16 2kh2 s TYR 68 N 1.64 1.54 -0.40 0.29 2.02 -0.21 -1.68 117.35 120.56 2kh2 s TYR 68 Ca 0.38 -0.62 -0.29 0.00 -0.37 0.00 0.00 57.07 56.17 2kh2 s TYR 68 Cb -0.17 -0.75 0.02 0.00 -0.40 0.00 0.00 41.96 40.67 2kh2 s TYR 68 CO 0.15 0.25 1.11 -0.51 -1.57 0.00 0.00 175.55 174.98 2kh2 s LEU 69 N -3.11 3.78 -0.10 -1.29 1.43 -0.96 -0.89 118.68 117.53 2kh2 s LEU 69 Ca 0.18 0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 54.04 2kh2 s LEU 69 Cb -0.01 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 2kh2 s LEU 69 CO 0.04 -1.07 -0.06 -0.55 0.23 0.00 0.00 176.35 174.94 2kh2 s SER 70 N 2.09 4.68 -0.35 2.29 0.15 0.96 -4.51 113.70 119.01 2kh2 s SER 70 Ca 0.47 -0.07 -0.09 0.00 0.70 0.00 0.00 55.95 56.95 2kh2 s SER 70 Cb -0.10 -1.43 0.02 0.00 -1.71 0.00 0.00 66.02 62.81 2kh2 s SER 70 CO 0.24 0.28 0.17 0.00 1.20 0.00 0.00 173.24 175.13 2kh2 s VAL 72 N 1.53 0.93 -0.32 0.00 -7.23 -0.61 -4.68 120.40 110.01 2kh2 s VAL 72 Ca 0.02 -1.94 -0.18 0.00 -1.81 0.00 0.00 61.98 58.07 2kh2 s VAL 72 Cb -0.19 -1.70 -0.01 0.00 0.56 0.00 0.00 36.38 35.04 2kh2 s VAL 72 CO 0.05 -0.77 0.50 -0.76 -0.31 0.00 0.00 175.10 173.81 2kh2 s LEU 73 N -3.00 4.23 -0.10 1.32 1.43 -1.26 0.36 118.68 121.65 2kh2 s LEU 73 Ca 0.13 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 2kh2 s LEU 73 Cb 0.03 -2.60 0.01 0.00 0.03 0.00 0.00 46.19 43.66 2kh2 s LEU 73 CO -0.02 -0.40 -0.17 -0.54 0.23 0.00 0.00 176.35 175.46 2kh2 s LYS 74 N 2.35 2.30 -1.28 1.70 1.02 0.32 -4.76 119.74 121.38 2kh2 s LYS 74 Ca 0.19 -0.60 -0.00 0.00 0.02 0.00 0.00 55.97 55.58 2kh2 s LYS 74 Cb -0.15 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 2kh2 s LYS 74 CO 0.12 0.01 0.76 -3.47 -0.92 0.00 0.00 175.35 171.85 2kh2 n ASP 75 N 3.97 -1.35 -1.95 2.83 -0.08 -1.26 -1.59 116.55 117.12 2kh2 n ASP 75 Ca -0.20 -0.78 -0.19 0.00 -1.51 0.00 0.00 54.79 52.11 2kh2 n ASP 75 Cb 0.52 -4.29 -0.05 0.00 2.34 0.00 0.00 41.12 39.64 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 -3.07 -5.23 -3.76 1.67 9.92 -1.26 -4.96 116.55 109.86 2kh2 n ASP 76 Ca -0.30 0.26 -0.14 0.00 -0.53 0.00 0.00 54.79 54.09 2kh2 n ASP 76 Cb 0.68 -4.52 -0.14 0.00 -0.64 0.00 0.00 41.12 36.50 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2kh2 s LYS 77 N -4.28 0.09 0.05 -1.24 2.47 -0.62 -5.12 119.74 111.09 2kh2 s LYS 77 Ca 0.00 0.34 -0.30 0.00 -1.56 0.00 0.00 55.97 54.45 2kh2 s LYS 77 Cb 0.00 -0.16 -0.09 0.00 -1.46 0.00 0.00 37.83 36.12 2kh2 s LYS 77 CO 0.00 -0.15 1.80 -2.14 0.16 0.00 0.00 175.35 175.02 2kh2 s PRO 78 N 1.06 4.16 0.11 4.03 0.02 -1.26 -0.52 135.00 142.61 2kh2 s PRO 78 Ca -0.08 2.47 0.07 0.00 0.02 0.00 0.00 61.00 63.48 2kh2 s PRO 78 Cb -0.11 -3.86 -0.04 0.00 0.02 0.00 0.00 34.50 30.52 2kh2 s PRO 78 CO -0.05 -0.86 -0.18 0.95 -0.33 0.00 0.00 177.00 176.53 2kh2 s THR 79 N 3.53 1.57 -0.17 0.99 -4.23 0.16 -4.79 115.64 112.70 2kh2 s THR 79 Ca 0.81 -1.62 -0.07 0.00 -1.18 0.00 0.00 61.69 59.63 2kh2 s THR 79 Cb -0.41 -1.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 2kh2 s THR 79 CO 0.36 -0.21 0.06 -0.22 -0.54 0.00 0.00 174.62 174.07 2kh2 s LEU 80 N -2.15 3.82 0.11 4.79 2.96 -1.26 -1.58 118.68 125.36 2kh2 s LEU 80 Ca 0.08 0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 54.06 2kh2 s LEU 80 Cb -0.08 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 2kh2 s LEU 80 CO 0.04 0.21 0.09 0.00 -1.32 0.00 0.00 176.35 175.38 2kh2 s GLN 81 N 0.12 0.86 -0.65 1.98 -2.07 -0.26 -4.98 119.66 114.66 2kh2 s GLN 81 Ca 0.05 -1.26 -0.16 0.00 -1.82 0.00 0.00 55.36 52.17 2kh2 s GLN 81 Cb -0.12 0.27 0.15 0.00 -1.09 0.00 0.00 33.01 32.22 2kh2 s GLN 81 CO 0.01 -0.25 0.65 -0.51 -1.32 0.00 0.00 175.29 173.88 2kh2 s LEU 82 N -2.97 6.12 -0.03 2.60 2.01 -1.26 -0.03 118.68 125.13 2kh2 s LEU 82 Ca 0.15 -1.98 -0.26 0.00 0.01 0.00 0.00 54.13 52.05 2kh2 s LEU 82 Cb 0.07 -2.24 -0.04 0.00 0.01 0.00 0.00 46.19 43.99 2kh2 s LEU 82 CO -0.04 -0.85 0.82 -0.70 1.01 0.00 0.00 176.35 176.60 2kh2 s GLU 83 N 1.49 4.50 -0.43 1.70 2.12 -0.07 -4.78 118.70 123.22 2kh2 s GLU 83 Ca 0.11 1.12 -0.11 0.00 0.36 0.00 0.00 54.97 56.44 2kh2 s GLU 83 Cb -0.22 -3.44 0.07 0.00 0.26 0.00 0.00 34.13 30.80 2kh2 s GLU 83 CO -0.00 0.04 0.30 -1.12 -0.54 0.00 0.00 175.26 173.94 2kh2 s SER 84 N 0.80 5.82 0.54 -1.70 0.01 -1.26 -1.04 113.70 116.87 2kh2 s SER 84 Ca 0.44 -1.41 0.06 0.00 1.31 0.00 0.00 55.95 56.35 2kh2 s SER 84 Cb -0.19 -2.06 0.04 0.00 0.21 0.00 0.00 66.02 64.02 2kh2 s SER 84 CO 0.23 -0.56 0.46 0.68 0.41 0.00 0.00 173.24 174.45 2kh2 s VAL 85 N 1.51 1.77 -0.30 3.43 -7.23 -1.16 -5.02 120.40 113.41 2kh2 s VAL 85 Ca 0.03 -1.41 -0.38 0.00 -1.81 0.00 0.00 61.98 58.41 2kh2 s VAL 85 Cb -0.23 -2.19 -0.14 0.00 0.56 0.00 0.00 36.38 34.39 2kh2 s VAL 85 CO 0.04 0.00 1.97 -0.67 -0.31 0.00 0.00 175.10 176.13 2kh2 n ASP 86 N -1.82 2.32 0.15 4.85 4.64 -1.26 -4.85 116.55 120.57 2kh2 n ASP 86 Ca 0.01 0.76 0.13 0.00 -1.38 0.00 0.00 54.79 54.31 2kh2 n ASP 86 Cb 0.64 -1.21 0.51 0.00 -1.04 0.00 0.00 41.12 40.02 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 9.76 0.00 -0.00 -0.67 0.13 -1.92 -2.05 132.00 137.24 2kh2 h PRO 87 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2kh2 h PRO 87 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2kh2 h PRO 87 CO 0.99 0.00 -0.91 0.36 -0.23 0.00 0.00 178.00 178.22 2kh2 n LYS 88 N -2.34 0.25 -0.07 0.86 2.85 -1.26 -4.24 118.16 114.20 2kh2 n LYS 88 Ca 0.02 -0.17 -0.05 0.00 -1.05 0.00 0.00 58.31 57.07 2kh2 n LYS 88 Cb 0.25 -1.49 -0.16 0.00 -0.65 0.00 0.00 35.03 32.98 2kh2 n LYS 88 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2kh2 n ASN 89 N -1.25 0.08 -4.74 -5.58 2.85 -0.99 -4.97 115.26 100.66 2kh2 n ASN 89 Ca 0.05 0.04 -0.25 0.00 -0.11 0.00 0.00 54.58 54.31 2kh2 n ASN 89 Cb 0.35 1.14 -0.06 0.00 1.24 0.00 0.00 39.78 42.45 2kh2 n ASN 89 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 2kh2 s TYR 90 N -2.76 2.98 0.80 1.20 1.51 -0.81 -4.50 117.35 115.77 2kh2 s TYR 90 Ca -0.09 -0.11 -0.07 0.00 -1.01 0.00 0.00 57.07 55.79 2kh2 s TYR 90 Cb 0.08 -1.40 0.14 0.00 -0.11 0.00 0.00 41.96 40.67 2kh2 s TYR 90 CO 0.85 0.53 1.11 -1.25 -1.11 0.00 0.00 175.55 175.68 2kh2 s PRO 91 N -3.32 1.46 0.04 -1.71 0.04 -1.26 -4.82 135.00 125.43 2kh2 s PRO 91 Ca 0.30 -0.68 -0.02 0.00 0.04 0.00 0.00 61.00 60.65 2kh2 s PRO 91 Cb -0.09 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 2kh2 s PRO 91 CO 0.22 -1.71 -0.01 -1.59 0.04 0.00 0.00 177.00 173.95 2kh2 s LYS 92 N -5.41 0.53 0.17 4.56 -2.85 -1.26 -5.06 119.74 110.42 2kh2 s LYS 92 Ca 0.67 -0.97 -0.09 0.00 -1.00 0.00 0.00 55.97 54.58 2kh2 s LYS 92 Cb -0.06 0.19 0.05 0.00 -2.06 0.00 0.00 37.83 35.95 2kh2 s LYS 92 CO 0.47 -0.10 1.59 -0.22 0.10 0.00 0.00 175.35 177.19 2kh2 h LYS 93 N 3.64 1.00 -4.40 1.78 3.64 -1.98 -3.38 116.57 116.87 2kh2 h LYS 93 Ca -0.33 -0.39 -0.72 0.00 -1.27 0.00 0.00 60.65 57.94 2kh2 h LYS 93 Cb 1.17 -0.05 -0.29 0.00 -0.41 0.00 0.00 32.23 32.64 2kh2 h LYS 93 CO 0.56 1.07 -0.45 0.21 -2.27 0.00 0.00 179.45 178.57 2kh2 s LYS 94 N -4.78 2.48 0.32 1.90 2.47 -1.26 -1.77 119.74 119.10 2kh2 s LYS 94 Ca -0.11 -1.62 0.07 0.00 -1.56 0.00 0.00 55.97 52.75 2kh2 s LYS 94 Cb 0.13 -3.80 -0.03 0.00 -1.46 0.00 0.00 37.83 32.67 2kh2 s LYS 94 CO 0.86 -1.05 0.28 -1.64 0.16 0.00 0.00 175.35 173.96 2kh2 s MET 95 N 1.36 2.77 0.78 4.03 -1.94 -1.26 -5.04 119.30 120.00 2kh2 s MET 95 Ca 0.04 -1.25 -0.15 0.00 -1.71 0.00 0.00 55.69 52.63 2kh2 s MET 95 Cb -0.24 -2.50 -0.01 0.00 2.01 0.00 0.00 34.83 34.09 2kh2 s MET 95 CO 0.00 0.15 0.60 0.39 -0.01 0.00 0.00 175.02 176.15 2kh2 n GLU 96 N -1.34 0.19 0.26 2.03 4.71 -1.26 -4.83 120.64 120.40 2kh2 n GLU 96 Ca -0.03 0.11 0.11 0.00 -0.01 0.00 0.00 57.16 57.35 2kh2 n GLU 96 Cb 0.59 -1.92 0.71 0.00 -1.01 0.00 0.00 31.44 29.81 2kh2 n GLU 96 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 2kh2 h LYS 97 N -0.65 0.00 0.00 3.49 1.63 -1.98 0.17 116.57 119.23 2kh2 h LYS 97 Ca -0.45 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 2kh2 h LYS 97 Cb 1.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 2kh2 h LYS 97 CO 0.41 0.11 0.00 2.89 -3.45 0.00 0.00 179.45 179.42 2kh2 n ARG 98 N -3.82 0.01 -0.29 1.90 1.85 -1.26 -2.90 116.66 112.15 2kh2 n ARG 98 Ca -0.02 0.04 0.07 0.00 -1.00 0.00 0.00 57.85 56.94 2kh2 n ARG 98 Cb 0.21 -1.51 0.20 0.00 -1.05 0.00 0.00 32.46 30.31 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 -1.53 0.66 -5.11 2.89 3.72 0.04 -1.19 117.46 116.93 2kh2 n PHE 99 Ca 0.07 -0.66 -0.32 0.00 -0.05 0.00 0.00 57.45 56.48 2kh2 n PHE 99 Cb 0.32 -0.15 -0.16 0.00 -0.94 0.00 0.00 39.48 38.55 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 -1.78 2.37 0.13 -4.37 1.01 -1.14 -4.66 120.40 111.97 2kh2 s VAL 100 Ca 0.31 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.45 2kh2 s VAL 100 Cb 0.21 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2kh2 s VAL 100 CO 0.13 0.56 -0.22 -0.36 0.00 0.00 0.00 175.10 175.20 2kh2 s PHE 101 N 0.04 1.97 -0.36 5.22 0.08 -1.26 -2.05 117.98 121.61 2kh2 s PHE 101 Ca -0.08 -0.41 -0.08 0.00 0.12 0.00 0.00 56.93 56.47 2kh2 s PHE 101 Cb -0.15 -1.04 0.04 0.00 -0.57 0.00 0.00 43.02 41.30 2kh2 s PHE 101 CO 0.05 0.29 0.16 -0.80 -0.10 0.00 0.00 175.22 174.83 2kh2 s ASN 102 N -2.17 5.49 -0.40 1.36 0.02 0.24 -0.31 114.94 119.16 2kh2 s ASN 102 Ca 0.12 -1.17 -0.25 0.00 -1.02 0.00 0.00 52.86 50.53 2kh2 s ASN 102 Cb -0.09 -1.93 0.02 0.00 0.02 0.00 0.00 41.25 39.27 2kh2 s ASN 102 CO 0.06 -0.38 0.91 -0.75 0.02 0.00 0.00 177.10 176.96 2kh2 s LYS 103 N 1.44 3.73 -0.05 -0.60 2.20 0.13 -0.75 119.74 125.85 2kh2 s LYS 103 Ca 0.00 0.42 -0.02 0.00 -0.36 0.00 0.00 55.97 56.01 2kh2 s LYS 103 Cb -0.20 -3.84 -0.04 0.00 -1.51 0.00 0.00 37.83 32.24 2kh2 s LYS 103 CO 0.04 -1.03 0.08 0.42 -0.36 0.00 0.00 175.35 174.50 2kh2 s ILE 104 N 3.53 4.83 -0.18 5.43 1.01 0.17 -1.40 121.20 134.59 2kh2 s ILE 104 Ca 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.80 2kh2 s ILE 104 Cb -0.11 -3.15 0.02 0.00 0.01 0.00 0.00 42.46 39.22 2kh2 s ILE 104 CO 0.21 0.47 -0.18 -1.61 0.00 0.00 0.00 174.94 173.83 2kh2 s GLU 105 N -1.39 3.04 0.00 2.79 2.02 -0.34 -0.14 118.70 124.67 2kh2 s GLU 105 Ca 0.19 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.38 2kh2 s GLU 105 Cb -0.12 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.49 2kh2 s GLU 105 CO 0.09 -0.20 0.00 0.44 0.02 0.00 0.00 175.26 175.61 2kh2 n ILE 106 N 4.62 0.00 0.13 -1.63 -5.35 -0.90 -4.87 119.36 111.36 2kh2 n ILE 106 Ca -0.21 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.29 2kh2 n ILE 106 Cb 0.50 -0.06 0.03 0.00 -1.74 0.00 0.00 39.64 38.37 2kh2 n ILE 106 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2kh2 n ASN 107 N 0.00 1.56 0.00 7.28 6.94 -1.26 -4.88 115.26 124.90 2kh2 n ASN 107 Ca 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 54.58 53.22 2kh2 n ASN 107 Cb 0.00 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 2kh2 n ASN 107 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2kh2 n ASN 108 N 0.17 0.00 -4.95 0.53 4.05 -1.26 -5.15 115.26 108.65 2kh2 n ASN 108 Ca 0.03 0.00 -0.23 0.00 0.45 0.00 0.00 54.58 54.82 2kh2 n ASN 108 Cb 0.15 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.14 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 0.00 3.46 0.02 1.20 -0.14 -1.26 -4.88 119.74 118.14 2kh2 s LYS 109 Ca 0.00 -0.57 0.06 0.00 -1.36 0.00 0.00 55.97 54.10 2kh2 s LYS 109 Cb 0.00 -2.84 -0.03 0.00 -1.68 0.00 0.00 37.83 33.28 2kh2 s LYS 109 CO 0.00 0.38 -0.16 -0.51 -0.76 0.00 0.00 175.35 174.30 2kh2 s LEU 110 N -3.83 2.71 0.05 3.17 1.02 0.43 -2.11 118.68 120.11 2kh2 s LEU 110 Ca 0.36 -0.35 0.06 0.00 0.02 0.00 0.00 54.13 54.22 2kh2 s LEU 110 Cb -0.10 -1.58 -0.02 0.00 0.02 0.00 0.00 46.19 44.51 2kh2 s LEU 110 CO 0.30 0.27 -0.17 -1.61 0.02 0.00 0.00 176.35 175.16 2kh2 s GLU 111 N -1.33 1.14 -0.25 1.70 2.02 0.80 0.50 118.70 123.27 2kh2 s GLU 111 Ca 0.15 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.30 2kh2 s GLU 111 Cb -0.11 -1.21 0.06 0.00 0.10 0.00 0.00 34.13 32.97 2kh2 s GLU 111 CO 0.05 0.30 -0.11 -0.06 0.02 0.00 0.00 175.26 175.46 2kh2 s PHE 112 N -0.86 3.22 -0.03 1.61 0.08 -1.26 0.43 117.98 121.17 2kh2 s PHE 112 Ca 0.04 -2.27 -0.03 0.00 0.12 0.00 0.00 56.93 54.79 2kh2 s PHE 112 Cb -0.08 -1.92 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 2kh2 s PHE 112 CO 0.02 -0.87 0.17 -2.00 -0.10 0.00 0.00 175.22 172.43 2kh2 s GLU 113 N 1.12 3.41 0.23 0.44 2.12 0.07 -1.32 118.70 124.76 2kh2 s GLU 113 Ca -0.08 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 54.64 2kh2 s GLU 113 Cb -0.20 -3.09 -0.09 0.00 0.26 0.00 0.00 34.13 31.02 2kh2 s GLU 113 CO -0.05 0.69 1.03 0.45 -0.54 0.00 0.00 175.26 176.83 2kh2 s SER 114 N -1.78 7.43 0.12 -1.70 0.15 0.79 0.79 113.70 119.50 2kh2 s SER 114 Ca 0.25 2.07 0.02 0.00 0.70 0.00 0.00 55.95 58.99 2kh2 s SER 114 Cb -0.12 -2.61 -0.15 0.00 -1.71 0.00 0.00 66.02 61.42 2kh2 s SER 114 CO 0.16 -0.05 1.27 0.00 1.20 0.00 0.00 173.24 175.83 2kh2 h ALA 115 N 4.40 0.34 -0.02 5.45 0.00 -1.64 -3.17 119.26 124.62 2kh2 h ALA 115 Ca -0.45 -0.83 -0.17 0.00 0.00 0.00 0.00 54.91 53.46 2kh2 h ALA 115 Cb 1.21 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2kh2 h ALA 115 CO 0.69 1.03 -0.74 0.37 0.00 0.00 0.00 179.25 180.60 2kh2 h GLN 116 N 0.06 0.14 -3.37 0.00 5.75 -1.73 -3.40 115.11 112.55 2kh2 h GLN 116 Ca -0.06 -0.12 -0.59 0.00 -0.15 0.00 0.00 58.65 57.72 2kh2 h GLN 116 Cb 1.73 0.03 -0.40 0.00 1.07 0.00 0.00 27.48 29.91 2kh2 h GLN 116 CO 0.15 0.82 -0.76 -0.06 -2.65 0.00 0.00 178.83 176.34 2kh2 s PHE 117 N -3.42 1.77 0.52 3.99 0.08 -1.20 -5.07 117.98 114.65 2kh2 s PHE 117 Ca -0.02 -1.94 -0.23 0.00 0.12 0.00 0.00 56.93 54.86 2kh2 s PHE 117 Cb 0.11 -1.74 -0.06 0.00 -0.57 0.00 0.00 43.02 40.76 2kh2 s PHE 117 CO 0.80 -0.85 1.37 -2.14 -0.10 0.00 0.00 175.22 174.30 2kh2 s PRO 118 N 1.23 3.29 0.00 0.24 0.02 -1.22 -2.15 135.00 136.41 2kh2 s PRO 118 Ca 0.12 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.40 2kh2 s PRO 118 Cb -0.20 -2.36 0.00 0.00 0.02 0.00 0.00 34.50 31.97 2kh2 s PRO 118 CO -0.16 -1.08 0.00 0.09 -0.33 0.00 0.00 177.00 175.52 2kh2 n ASN 119 N -0.81 -0.44 -4.32 2.53 5.03 -1.26 -4.96 115.26 111.03 2kh2 n ASN 119 Ca 0.09 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.13 2kh2 n ASN 119 Cb 0.44 -0.81 -0.10 0.00 -1.02 0.00 0.00 39.78 38.29 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 -2.95 3.30 0.13 3.10 0.52 -0.92 -4.27 118.94 117.85 2kh2 s TRP 120 Ca 0.00 -1.28 0.05 0.00 0.02 0.00 0.00 56.10 54.88 2kh2 s TRP 120 Cb 0.00 -2.82 -0.04 0.00 -1.15 0.00 0.00 33.47 29.46 2kh2 s TRP 120 CO 0.00 -0.78 0.08 0.71 0.02 0.00 0.00 176.95 176.97 2kh2 s TYR 121 N 1.49 3.08 -0.24 -1.98 1.51 0.91 -0.15 117.35 121.97 2kh2 s TYR 121 Ca 0.03 -0.01 -0.29 0.00 -1.01 0.00 0.00 57.07 55.78 2kh2 s TYR 121 Cb -0.22 -1.52 -0.02 0.00 -0.11 0.00 0.00 41.96 40.08 2kh2 s TYR 121 CO 0.04 0.51 1.63 0.42 -1.11 0.00 0.00 175.55 177.05 2kh2 s ILE 122 N -1.57 3.67 0.41 2.71 1.01 -0.43 -0.23 121.20 126.76 2kh2 s ILE 122 Ca 0.29 0.74 0.07 0.00 0.00 0.00 0.00 60.65 61.76 2kh2 s ILE 122 Cb -0.11 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.58 2kh2 s ILE 122 CO 0.21 -0.33 0.15 -0.44 0.00 0.00 0.00 174.94 174.53 2kh2 s SER 123 N 4.49 4.32 -0.25 3.58 0.01 0.24 -4.59 113.70 121.50 2kh2 s SER 123 Ca 0.72 -1.13 -0.11 0.00 1.31 0.00 0.00 55.95 56.74 2kh2 s SER 123 Cb -0.24 -0.47 0.09 0.00 0.21 0.00 0.00 66.02 65.61 2kh2 s SER 123 CO 0.30 -0.52 0.57 -0.89 0.41 0.00 0.00 173.24 173.11 2kh2 s THR 124 N -2.62 -0.35 1.04 1.44 2.01 -1.07 -2.51 115.64 113.58 2kh2 s THR 124 Ca 0.40 0.05 -0.12 0.00 0.31 0.00 0.00 61.69 62.33 2kh2 s THR 124 Cb 0.05 -0.85 0.21 0.00 0.01 0.00 0.00 72.50 71.92 2kh2 s THR 124 CO 0.22 0.02 1.07 -0.44 -0.69 0.00 0.00 174.62 174.80 2kh2 s SER 125 N 2.04 2.16 0.19 3.53 0.01 -1.26 -1.62 113.70 118.75 2kh2 s SER 125 Ca -0.08 1.47 0.04 0.00 1.31 0.00 0.00 55.95 58.70 2kh2 s SER 125 Cb -0.09 -2.16 0.10 0.00 0.21 0.00 0.00 66.02 64.08 2kh2 s SER 125 CO -0.17 -3.46 1.45 1.56 0.41 0.00 0.00 173.24 173.03 2kh2 h GLN 126 N -2.12 0.17 -6.89 12.44 1.08 -1.93 -3.46 115.11 114.41 2kh2 h GLN 126 Ca -0.55 -0.16 -0.56 0.00 -1.45 0.00 0.00 58.65 55.93 2kh2 h GLN 126 Cb 1.32 0.04 0.13 0.00 -0.05 0.00 0.00 27.48 28.91 2kh2 h GLN 126 CO 0.53 0.86 0.55 0.00 -0.95 0.00 0.00 178.83 179.82 2kh2 n ALA 127 N -2.45 1.52 -1.80 3.87 0.00 -1.26 -4.97 120.51 115.41 2kh2 n ALA 127 Ca -0.03 0.24 -0.33 0.00 0.00 0.00 0.00 53.44 53.33 2kh2 n ALA 127 Cb 0.74 -2.31 -0.04 0.00 0.00 0.00 0.00 19.45 17.84 2kh2 n ALA 127 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kh2 s GLU 128 N -2.35 3.93 -1.06 0.00 2.56 -1.26 -3.74 118.70 116.78 2kh2 s GLU 128 Ca 0.62 1.13 0.00 0.00 0.00 0.00 0.00 54.97 56.72 2kh2 s GLU 128 Cb -0.48 -2.13 0.00 0.00 2.00 0.00 0.00 34.13 33.52 2kh2 s GLU 128 CO 0.57 -0.29 0.00 -1.71 -0.56 0.00 0.00 175.26 173.27 2kh2 n ASN 129 N -1.18 -3.94 -4.89 -1.70 5.15 -1.19 -5.01 115.26 102.51 2kh2 n ASN 129 Ca 0.08 0.09 -0.34 0.00 -0.60 0.00 0.00 54.58 53.81 2kh2 n ASN 129 Cb 0.54 -2.92 -0.05 0.00 -0.53 0.00 0.00 39.78 36.81 2kh2 n ASN 129 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2kh2 s MET 130 N -4.03 3.61 0.98 1.20 -1.94 -1.25 -4.91 119.30 112.97 2kh2 s MET 130 Ca 0.00 -0.06 -0.16 0.00 -1.71 0.00 0.00 55.69 53.76 2kh2 s MET 130 Cb 0.00 -3.00 0.22 0.00 2.01 0.00 0.00 34.83 34.05 2kh2 s MET 130 CO 0.00 0.58 1.34 -2.14 -0.01 0.00 0.00 175.02 174.79 2kh2 s PRO 131 N -2.07 0.47 -0.11 2.03 0.02 -1.26 -1.87 135.00 132.21 2kh2 s PRO 131 Ca 0.32 -0.52 -0.04 0.00 0.02 0.00 0.00 61.00 60.79 2kh2 s PRO 131 Cb -0.13 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 2kh2 s PRO 131 CO 0.20 -2.51 0.04 0.08 -0.33 0.00 0.00 177.00 174.47 2kh2 s VAL 132 N -3.92 4.61 0.25 3.83 1.01 -1.20 -4.58 120.40 120.39 2kh2 s VAL 132 Ca 0.76 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.57 2kh2 s VAL 132 Cb -0.03 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 2kh2 s VAL 132 CO 0.53 0.58 0.30 0.72 0.00 0.00 0.00 175.10 177.24 2kh2 s PHE 133 N -0.64 0.92 -0.17 5.22 -0.71 -1.04 -4.96 117.98 116.61 2kh2 s PHE 133 Ca 0.11 -1.17 -0.17 0.00 -1.04 0.00 0.00 56.93 54.66 2kh2 s PHE 133 Cb -0.12 -0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.40 2kh2 s PHE 133 CO 0.02 -0.84 0.46 -1.17 -1.34 0.00 0.00 175.22 172.35 2kh2 s LEU 134 N -3.14 4.20 0.11 -1.99 2.96 -1.26 -0.59 118.68 118.97 2kh2 s LEU 134 Ca 0.32 0.68 0.10 0.00 -0.22 0.00 0.00 54.13 55.01 2kh2 s LEU 134 Cb 0.03 -2.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 2kh2 s LEU 134 CO 0.13 -0.07 -0.27 -0.83 -1.32 0.00 0.00 176.35 174.00 2kh2 s GLY 135 N 0.87 1.52 -0.21 7.98 0.00 0.68 -4.87 107.32 113.29 2kh2 s GLY 135 Ca 0.23 -1.41 0.13 0.00 0.00 0.00 0.00 44.72 43.67 2kh2 s GLY 135 CO 0.09 -1.37 1.28 0.61 0.00 0.00 0.00 173.10 173.72 2kh2 n GLY 136 N 1.14 4.91 2.34 0.20 0.00 -1.26 -0.06 105.19 112.46 2kh2 n GLY 136 Ca -0.18 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 2kh2 n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kh2 n THR 137 N -1.14 0.56 -2.04 2.61 -2.24 -1.26 -4.90 114.28 105.87 2kh2 n THR 137 Ca 0.22 -4.47 -0.42 0.00 -2.27 0.00 0.00 64.05 57.11 2kh2 n THR 137 Cb 0.78 -2.00 -0.03 0.00 -2.10 0.00 0.00 70.33 66.98 2kh2 n THR 137 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kh2 s LYS 138 N -1.58 4.23 0.00 -0.78 2.20 -1.26 -2.63 119.74 119.93 2kh2 s LYS 138 Ca 0.36 2.20 0.00 0.00 -0.36 0.00 0.00 55.97 58.17 2kh2 s LYS 138 Cb 0.14 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 2kh2 s LYS 138 CO -0.08 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.66 2kh2 n GLY 139 N 3.83 0.98 0.00 5.54 0.00 -1.26 -5.09 105.19 109.19 2kh2 n GLY 139 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.96 1.38 1.55 -0.02 0.00 -1.08 -4.93 105.19 100.13 2kh2 n GLY 140 Ca 0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 2kh2 n GLY 140 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kh2 n GLN 141 N 0.00 1.95 -1.58 1.61 3.00 -1.26 -4.84 117.38 116.25 2kh2 n GLN 141 Ca 0.00 -1.58 0.00 0.00 -0.01 0.00 0.00 57.00 55.41 2kh2 n GLN 141 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 30.24 28.56 2kh2 n GLN 141 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2kh2 n ASP 142 N -0.21 1.68 -4.04 1.08 8.00 -1.26 -4.43 116.55 117.37 2kh2 n ASP 142 Ca 0.28 -0.86 -0.31 0.00 0.71 0.00 0.00 54.79 54.61 2kh2 n ASP 142 Cb 1.04 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.98 2kh2 n ASP 142 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2kh2 s ILE 143 N -0.42 1.83 -0.05 0.53 1.01 -0.64 -4.92 121.20 118.53 2kh2 s ILE 143 Ca 0.00 -1.08 0.10 0.00 0.00 0.00 0.00 60.65 59.67 2kh2 s ILE 143 Cb 0.00 -1.83 -0.15 0.00 0.01 0.00 0.00 42.46 40.49 2kh2 s ILE 143 CO 0.00 0.24 0.14 0.35 0.00 0.00 0.00 174.94 175.67 2kh2 n THR 144 N 4.63 0.32 -3.39 2.92 -2.24 -1.26 -2.59 114.28 112.66 2kh2 n THR 144 Ca -0.16 -0.33 -0.38 0.00 -2.27 0.00 0.00 64.05 60.92 2kh2 n THR 144 Cb 0.47 -0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.42 2kh2 n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2kh2 s ASP 145 N -3.70 6.64 0.11 3.42 -4.77 -1.26 -4.34 116.67 112.78 2kh2 s ASP 145 Ca -0.04 0.76 0.07 0.00 -3.30 0.00 0.00 52.55 50.04 2kh2 s ASP 145 Cb 0.05 -2.26 -0.04 0.00 -1.09 0.00 0.00 42.92 39.59 2kh2 s ASP 145 CO 0.43 0.07 -0.16 -0.36 0.70 0.00 0.00 175.17 175.84 2kh2 s PHE 146 N 0.34 1.52 0.03 2.11 0.08 0.18 -4.02 117.98 118.23 2kh2 s PHE 146 Ca 0.23 -0.49 -0.03 0.00 0.12 0.00 0.00 56.93 56.76 2kh2 s PHE 146 Cb -0.15 -0.81 -0.04 0.00 -0.57 0.00 0.00 43.02 41.45 2kh2 s PHE 146 CO 0.09 0.17 0.23 0.95 -0.10 0.00 0.00 175.22 176.56 2kh2 s THR 147 N -1.69 5.36 -0.27 0.64 -4.23 0.22 -0.43 115.64 115.25 2kh2 s THR 147 Ca 0.07 -0.11 -0.09 0.00 -1.18 0.00 0.00 61.69 60.39 2kh2 s THR 147 Cb -0.07 -3.58 -0.03 0.00 1.34 0.00 0.00 72.50 70.16 2kh2 s THR 147 CO 0.04 0.26 0.11 -0.32 -0.54 0.00 0.00 174.62 174.17 2kh2 s MET 148 N -2.10 3.65 -0.45 3.99 1.75 -1.26 -2.09 119.30 122.80 2kh2 s MET 148 Ca 0.31 -0.49 -0.07 0.00 -1.25 0.00 0.00 55.69 54.18 2kh2 s MET 148 Cb -0.13 -3.45 0.11 0.00 2.84 0.00 0.00 34.83 34.20 2kh2 s MET 148 CO 0.21 -0.24 0.30 -0.65 -0.65 0.00 0.00 175.02 173.99 2kh2 s GLN 149 N 1.65 2.33 -0.29 4.11 1.11 0.89 -4.98 119.66 124.47 2kh2 s GLN 149 Ca 0.06 -1.77 -0.29 0.00 0.01 0.00 0.00 55.36 53.38 2kh2 s GLN 149 Cb -0.16 -3.81 -0.01 0.00 -1.01 0.00 0.00 33.01 28.03 2kh2 s GLN 149 CO 0.06 -1.14 1.44 0.12 0.01 0.00 0.00 175.29 175.78 2kh2 s PHE 150 N 1.29 2.42 0.04 0.91 5.36 -1.26 -0.47 117.98 126.28 2kh2 s PHE 150 Ca 0.06 0.72 0.00 0.00 -0.96 0.00 0.00 56.93 56.76 2kh2 s PHE 150 Cb -0.25 -4.00 -0.00 0.00 -0.34 0.00 0.00 43.02 38.43 2kh2 s PHE 150 CO -0.02 -2.20 0.00 1.33 -1.46 0.00 0.00 175.22 172.88 2kh2 n VAL 151 N 6.45 0.00 -4.56 3.12 0.24 -1.24 -4.98 118.33 117.36 2kh2 n VAL 151 Ca 0.17 -0.22 -0.26 0.00 -2.04 0.00 0.00 64.34 61.99 2kh2 n VAL 151 Cb 0.46 0.06 -0.06 0.00 -1.47 0.00 0.00 33.84 32.83 2kh2 n VAL 151 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2kh2 n SER 152 N -1.38 2.33 0.00 -1.34 3.41 -1.26 -4.64 113.62 110.73 2kh2 n SER 152 Ca -0.01 -2.92 0.00 0.00 -0.26 0.00 0.00 58.87 55.68 2kh2 n SER 152 Cb 0.06 0.57 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