#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 -0.38 -5.30 0.00 0.11 -2.07 -3.44 132.00 120.92 2kh2 h PRO 2 Ca 0.00 0.03 -0.64 0.00 0.11 0.00 0.00 66.00 65.49 2kh2 h PRO 2 Cb 0.00 0.09 -0.24 0.00 0.11 0.00 0.00 31.00 30.96 2kh2 h PRO 2 CO 0.00 -0.25 -0.71 0.54 -0.21 0.00 0.00 178.00 177.37 2kh2 s VAL 3 N -3.11 3.55 -0.05 3.15 0.11 -1.26 -5.11 120.40 117.69 2kh2 s VAL 3 Ca -0.06 -0.48 -0.11 0.00 -2.93 0.00 0.00 61.98 58.40 2kh2 s VAL 3 Cb 0.01 -2.53 -0.05 0.00 -1.53 0.00 0.00 36.38 32.27 2kh2 s VAL 3 CO 0.17 0.50 0.29 0.00 -3.33 0.00 0.00 175.10 172.73 2kh2 s ARG 4 N 0.37 3.70 0.12 1.54 1.70 -1.26 -5.03 118.95 120.09 2kh2 s ARG 4 Ca -0.07 0.16 -0.16 0.00 -0.47 0.00 0.00 55.73 55.19 2kh2 s ARG 4 Cb -0.15 -3.20 0.03 0.00 -0.57 0.00 0.00 34.95 31.07 2kh2 s ARG 4 CO 0.04 0.73 0.40 -1.12 -1.08 0.00 0.00 175.30 174.26 2kh2 s SER 5 N -1.09 -0.22 0.17 -2.89 0.01 -1.26 -3.13 113.70 105.29 2kh2 s SER 5 Ca 0.20 -0.33 0.01 0.00 1.31 0.00 0.00 55.95 57.14 2kh2 s SER 5 Cb -0.14 0.47 -0.04 0.00 0.21 0.00 0.00 66.02 66.51 2kh2 s SER 5 CO 0.10 -0.85 0.03 -1.48 0.41 0.00 0.00 173.24 171.45 2kh2 s LEU 6 N -2.81 1.93 -0.07 2.44 0.05 -1.17 -4.97 118.68 114.08 2kh2 s LEU 6 Ca 0.03 -1.22 0.04 0.00 0.05 0.00 0.00 54.13 53.04 2kh2 s LEU 6 Cb 0.02 0.06 -0.01 0.00 -2.05 0.00 0.00 46.19 44.21 2kh2 s LEU 6 CO -0.12 -0.64 -0.21 0.20 -0.55 0.00 0.00 176.35 175.03 2kh2 s ASN 7 N -3.16 3.41 0.20 1.48 0.01 -1.26 -0.38 114.94 115.24 2kh2 s ASN 7 Ca 0.26 -0.43 -0.17 0.00 -0.71 0.00 0.00 52.86 51.82 2kh2 s ASN 7 Cb 0.07 -1.04 0.02 0.00 0.41 0.00 0.00 41.25 40.71 2kh2 s ASN 7 CO 0.05 0.24 0.52 0.00 -1.51 0.00 0.00 177.10 176.39 2kh2 s THR 9 N -3.89 2.65 -0.09 0.00 2.01 0.03 -1.79 115.64 114.55 2kh2 s THR 9 Ca 0.10 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 2kh2 s THR 9 Cb -0.01 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 2kh2 s THR 9 CO -0.02 0.53 0.01 -0.76 -0.69 0.00 0.00 174.62 173.69 2kh2 s LEU 10 N -0.86 3.64 -0.02 4.42 1.43 -1.26 -1.34 118.68 124.70 2kh2 s LEU 10 Ca 0.12 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 2kh2 s LEU 10 Cb -0.10 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 44.27 2kh2 s LEU 10 CO 0.01 0.37 -0.09 -0.13 0.23 0.00 0.00 176.35 176.74 2kh2 s ARG 11 N -0.82 0.89 1.00 1.70 0.52 -1.13 -4.01 118.95 117.10 2kh2 s ARG 11 Ca 0.13 -0.31 -0.17 0.00 -0.52 0.00 0.00 55.73 54.85 2kh2 s ARG 11 Cb -0.11 -0.84 0.23 0.00 0.52 0.00 0.00 34.95 34.75 2kh2 s ARG 11 CO 0.02 0.14 1.35 0.16 0.02 0.00 0.00 175.30 177.00 2kh2 s ASP 12 N 0.05 2.73 0.00 0.23 -4.77 -1.07 -0.61 116.67 113.23 2kh2 s ASP 12 Ca -0.01 0.16 0.15 0.00 -3.30 0.00 0.00 52.55 49.55 2kh2 s ASP 12 Cb -0.07 -0.10 0.70 0.00 -1.09 0.00 0.00 42.92 42.36 2kh2 s ASP 12 CO 0.00 -2.96 1.47 -1.54 0.70 0.00 0.00 175.17 172.84 2kh2 n SER 13 N -3.90 0.00 -1.05 2.11 3.41 -1.24 -1.81 113.62 111.14 2kh2 n SER 13 Ca 0.17 0.36 0.11 0.00 -0.26 0.00 0.00 58.87 59.25 2kh2 n SER 13 Cb 0.59 -0.43 0.25 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.43 2.36 -1.92 4.33 1.13 -1.26 -4.92 117.38 115.67 2kh2 n GLN 14 Ca 0.05 -2.07 -0.13 0.00 -1.94 0.00 0.00 57.00 52.92 2kh2 n GLN 14 Cb 0.16 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.00 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 1.26 -0.95 -3.34 -1.09 1.13 -0.75 -4.94 117.38 108.70 2kh2 n GLN 15 Ca 0.19 0.73 -0.31 0.00 -1.94 0.00 0.00 57.00 55.67 2kh2 n GLN 15 Cb 0.55 -4.87 -0.05 0.00 0.11 0.00 0.00 30.24 25.98 2kh2 n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2kh2 s LYS 16 N -4.05 3.79 0.05 -1.09 1.02 -1.26 -4.33 119.74 113.88 2kh2 s LYS 16 Ca 0.00 0.28 0.06 0.00 0.02 0.00 0.00 55.97 56.33 2kh2 s LYS 16 Cb 0.00 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.67 2kh2 s LYS 16 CO 0.00 0.26 -0.12 -1.12 -0.92 0.00 0.00 175.35 173.46 2kh2 s SER 17 N -2.53 4.27 -0.17 2.83 0.01 0.13 -2.59 113.70 115.65 2kh2 s SER 17 Ca 0.48 -0.32 -0.28 0.00 1.31 0.00 0.00 55.95 57.13 2kh2 s SER 17 Cb -0.11 -0.84 -0.00 0.00 0.21 0.00 0.00 66.02 65.28 2kh2 s SER 17 CO 0.23 0.24 0.98 -0.76 0.41 0.00 0.00 173.24 174.34 2kh2 s LEU 18 N -1.69 4.17 0.13 2.44 1.43 -1.26 -1.82 118.68 122.09 2kh2 s LEU 18 Ca 0.18 1.39 0.07 0.00 -1.03 0.00 0.00 54.13 54.73 2kh2 s LEU 18 Cb -0.11 -3.47 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 2kh2 s LEU 18 CO 0.09 -0.52 -0.16 0.68 0.23 0.00 0.00 176.35 176.67 2kh2 s VAL 19 N 2.52 1.46 -0.25 -1.59 -7.23 0.13 -1.99 120.40 113.45 2kh2 s VAL 19 Ca 0.44 -1.72 -0.18 0.00 -1.81 0.00 0.00 61.98 58.71 2kh2 s VAL 19 Cb -0.17 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 2kh2 s VAL 19 CO 0.12 -0.35 0.52 -0.04 -0.31 0.00 0.00 175.10 175.05 2kh2 s MET 20 N -2.57 4.09 0.00 4.82 -1.94 -1.26 -0.09 119.30 122.34 2kh2 s MET 20 Ca 0.10 0.35 0.00 0.00 -1.71 0.00 0.00 55.69 54.43 2kh2 s MET 20 Cb -0.06 -3.64 0.00 0.00 2.01 0.00 0.00 34.83 33.14 2kh2 s MET 20 CO 0.04 -0.33 0.00 0.45 -0.01 0.00 0.00 175.02 175.17 2kh2 n SER 21 N 5.47 0.00 -4.91 3.03 2.88 -0.19 -4.94 113.62 114.96 2kh2 n SER 21 Ca -0.04 0.37 -0.23 0.00 -1.33 0.00 0.00 58.87 57.64 2kh2 n SER 21 Cb 0.50 -0.39 -0.01 0.00 -0.75 0.00 0.00 64.21 63.56 2kh2 n SER 21 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2kh2 s GLY 22 N -1.82 2.19 0.59 0.46 0.00 -1.21 -4.96 107.32 102.57 2kh2 s GLY 22 Ca 0.00 -1.64 0.28 0.00 0.00 0.00 0.00 44.72 43.36 2kh2 s GLY 22 CO 0.00 -1.81 2.12 -0.56 0.00 0.00 0.00 173.10 172.84 2kh2 h PRO 23 N 0.77 0.00 -0.14 2.90 0.13 -2.04 -2.12 132.00 131.51 2kh2 h PRO 23 Ca -0.37 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.62 2kh2 h PRO 23 Cb 1.29 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.25 2kh2 h PRO 23 CO 0.55 0.00 -0.69 0.66 -0.23 0.00 0.00 178.00 178.29 2kh2 n TYR 24 N -3.83 0.48 -3.80 1.56 4.01 -1.26 -5.01 117.16 109.31 2kh2 n TYR 24 Ca 0.01 -1.44 -0.14 0.00 -0.16 0.00 0.00 57.90 56.17 2kh2 n TYR 24 Cb 0.30 -0.24 -0.15 0.00 -0.31 0.00 0.00 39.34 38.93 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 -2.66 -0.01 -0.07 -0.72 2.12 -0.80 -4.52 118.70 112.04 2kh2 s GLU 25 Ca 0.39 0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.90 2kh2 s GLU 25 Cb 0.38 -0.17 -0.02 0.00 0.26 0.00 0.00 34.13 34.58 2kh2 s GLU 25 CO -0.07 -0.12 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.84 2kh2 s LEU 26 N 0.76 2.48 0.15 2.70 1.43 -1.26 -1.02 118.68 123.92 2kh2 s LEU 26 Ca -0.06 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 2kh2 s LEU 26 Cb -0.09 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 2kh2 s LEU 26 CO -0.02 0.27 -0.08 -0.54 0.23 0.00 0.00 176.35 176.20 2kh2 s LYS 27 N -0.28 1.04 -0.07 1.70 1.02 0.87 -0.60 119.74 123.42 2kh2 s LYS 27 Ca 0.01 -1.45 0.03 0.00 0.02 0.00 0.00 55.97 54.58 2kh2 s LYS 27 Cb -0.13 -0.53 0.01 0.00 -0.52 0.00 0.00 37.83 36.66 2kh2 s LYS 27 CO 0.03 0.03 -0.15 0.00 -0.92 0.00 0.00 175.35 174.34 2kh2 s ALA 28 N -3.41 1.50 0.18 5.17 0.00 -0.25 0.21 121.76 125.17 2kh2 s ALA 28 Ca 0.17 -0.57 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 2kh2 s ALA 28 Cb 0.03 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.55 2kh2 s ALA 28 CO 0.00 0.17 0.43 -0.48 0.00 0.00 0.00 175.76 175.88 2kh2 s LEU 29 N 0.54 0.42 0.00 0.00 0.05 -0.76 -2.73 118.68 116.21 2kh2 s LEU 29 Ca -0.15 -0.62 -0.30 0.00 0.05 0.00 0.00 54.13 53.11 2kh2 s LEU 29 Cb -0.16 1.78 -0.07 0.00 -2.05 0.00 0.00 46.19 45.69 2kh2 s LEU 29 CO 0.05 -0.99 1.74 -1.00 -0.55 0.00 0.00 176.35 175.61 2kh2 s HIS 30 N -3.90 1.88 -0.53 3.48 3.76 -1.26 0.21 115.29 118.92 2kh2 s HIS 30 Ca 0.12 0.03 0.04 0.00 -0.15 0.00 0.00 55.06 55.09 2kh2 s HIS 30 Cb 0.01 -4.02 0.15 0.00 1.11 0.00 0.00 32.58 29.82 2kh2 s HIS 30 CO -0.02 -4.36 0.33 -1.17 -0.85 0.00 0.00 174.74 168.67 2kh2 s LEU 31 N 3.83 3.48 0.00 0.89 2.96 -1.26 -4.90 118.68 123.68 2kh2 s LEU 31 Ca 0.78 -3.14 0.00 0.00 -0.22 0.00 0.00 54.13 51.55 2kh2 s LEU 31 Cb -0.38 -1.25 0.00 0.00 0.50 0.00 0.00 46.19 45.06 2kh2 s LEU 31 CO 0.34 -0.19 0.00 0.00 -1.32 0.00 0.00 176.35 175.18 2kh2 n GLN 32 N 2.88 3.60 0.00 1.98 3.00 -1.26 -4.38 117.38 123.20 2kh2 n GLN 32 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 2kh2 n GLN 32 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.60 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 5.00 4.08 0.00 1.08 0.00 -1.26 -2.05 105.19 112.04 2kh2 n GLY 33 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 14.00 1.53 -0.16 1.61 -0.06 -1.26 -4.63 117.38 128.41 2kh2 n GLN 34 Ca 0.00 -1.04 0.10 0.00 -2.00 0.00 0.00 57.00 54.06 2kh2 n GLN 34 Cb 0.00 -0.88 0.28 0.00 -4.06 0.00 0.00 30.24 25.58 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 -0.29 2.45 -0.09 1.69 9.92 -0.87 -4.33 116.55 125.03 2kh2 n ASP 35 Ca 0.00 -1.88 0.11 0.00 -0.53 0.00 0.00 54.79 52.49 2kh2 n ASP 35 Cb 0.25 -0.21 0.48 0.00 -0.64 0.00 0.00 41.12 41.00 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 0.44 0.00 -1.24 4.05 -1.75 -1.56 114.93 117.91 2kh2 h MET 36 Ca 0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2kh2 h MET 36 Cb 0.68 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 2kh2 h MET 36 CO 0.00 0.29 0.00 0.39 0.23 0.00 0.00 176.91 177.82 2kh2 n GLU 37 N -4.47 0.67 -0.04 0.39 -0.58 -1.26 -2.37 120.64 112.98 2kh2 n GLU 37 Ca 0.10 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.96 2kh2 n GLU 37 Cb 0.34 -1.11 0.41 0.00 -0.57 0.00 0.00 31.44 30.51 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 -0.61 1.82 -1.26 3.49 6.02 -0.59 -4.93 117.38 121.32 2kh2 n GLN 38 Ca 0.04 -1.20 -0.29 0.00 -0.01 0.00 0.00 57.00 55.53 2kh2 n GLN 38 Cb 0.02 -1.45 0.16 0.00 1.02 0.00 0.00 30.24 29.99 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 -1.90 0.68 -0.08 -1.09 -2.07 -1.00 -4.80 119.66 109.40 2kh2 s GLN 39 Ca 0.35 0.50 -0.03 0.00 -1.82 0.00 0.00 55.36 54.36 2kh2 s GLN 39 Cb 0.20 -1.77 -0.04 0.00 -1.09 0.00 0.00 33.01 30.31 2kh2 s GLN 39 CO 0.31 -2.55 0.06 0.08 -1.32 0.00 0.00 175.29 171.87 2kh2 s VAL 40 N -3.03 4.80 -0.17 3.63 1.01 -0.84 -5.01 120.40 120.78 2kh2 s VAL 40 Ca 0.65 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.45 2kh2 s VAL 40 Cb -0.18 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2kh2 s VAL 40 CO 0.57 0.56 0.00 -0.69 0.00 0.00 0.00 175.10 175.54 2kh2 s VAL 41 N -0.99 4.17 -0.11 2.92 1.01 -1.26 -4.70 120.40 121.44 2kh2 s VAL 41 Ca 0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 2kh2 s VAL 41 Cb -0.12 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2kh2 s VAL 41 CO 0.05 0.47 0.02 -0.36 0.00 0.00 0.00 175.10 175.28 2kh2 s PHE 42 N 0.50 3.22 -0.22 5.22 0.08 -0.74 -1.20 117.98 124.83 2kh2 s PHE 42 Ca -0.01 0.19 -0.16 0.00 0.12 0.00 0.00 56.93 57.07 2kh2 s PHE 42 Cb -0.14 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 2kh2 s PHE 42 CO 0.02 0.43 0.40 -1.12 -0.10 0.00 0.00 175.22 174.85 2kh2 s SER 43 N -0.67 6.39 -0.70 1.36 0.01 0.80 -1.96 113.70 118.93 2kh2 s SER 43 Ca 0.11 0.46 -0.18 0.00 1.31 0.00 0.00 55.95 57.65 2kh2 s SER 43 Cb -0.12 -2.23 0.14 0.00 0.21 0.00 0.00 66.02 64.02 2kh2 s SER 43 CO 0.02 -0.11 0.78 -0.04 0.41 0.00 0.00 173.24 174.30 2kh2 s MET 44 N 1.55 3.27 -0.00 12.44 -1.94 0.49 -2.78 119.30 132.31 2kh2 s MET 44 Ca 0.18 -1.69 -0.30 0.00 -1.71 0.00 0.00 55.69 52.16 2kh2 s MET 44 Cb -0.15 -4.42 -0.04 0.00 2.01 0.00 0.00 34.83 32.23 2kh2 s MET 44 CO 0.08 -1.51 1.10 -1.12 -0.01 0.00 0.00 175.02 173.57 2kh2 s SER 45 N 3.29 7.19 -0.89 3.03 0.01 -1.06 -3.04 113.70 122.22 2kh2 s SER 45 Ca 0.16 1.80 -0.22 0.00 1.31 0.00 0.00 55.95 59.00 2kh2 s SER 45 Cb -0.18 -2.57 0.08 0.00 0.21 0.00 0.00 66.02 63.56 2kh2 s SER 45 CO -0.00 -0.42 1.23 -0.36 0.41 0.00 0.00 173.24 174.10 2kh2 s PHE 46 N 1.40 2.73 0.64 2.43 0.40 -1.18 -0.66 117.98 123.75 2kh2 s PHE 46 Ca 0.55 -0.89 -0.11 0.00 -0.60 0.00 0.00 56.93 55.88 2kh2 s PHE 46 Cb -0.24 -4.47 0.15 0.00 0.51 0.00 0.00 43.02 38.96 2kh2 s PHE 46 CO 0.26 -1.75 0.85 1.33 0.70 0.00 0.00 175.22 176.61 2kh2 n VAL 47 N 6.17 0.00 -3.99 -0.44 0.24 -1.21 -4.83 118.33 114.26 2kh2 n VAL 47 Ca 0.20 -0.61 -0.34 0.00 -2.04 0.00 0.00 64.34 61.55 2kh2 n VAL 47 Cb 0.49 -1.65 -0.15 0.00 -1.47 0.00 0.00 33.84 31.07 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 -4.87 2.61 0.00 7.34 2.00 -1.07 -4.87 119.66 120.80 2kh2 s GLN 48 Ca 0.49 -1.12 0.00 0.00 -2.00 0.00 0.00 55.36 52.72 2kh2 s GLN 48 Cb -0.01 -2.96 0.00 0.00 0.80 0.00 0.00 33.01 30.83 2kh2 s GLN 48 CO 0.34 -0.47 0.00 0.41 -0.50 0.00 0.00 175.29 175.07 2kh2 n GLY 49 N 4.59 3.13 3.56 2.59 0.00 -1.26 -4.95 105.19 112.85 2kh2 n GLY 49 Ca -0.16 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 3.48 3.99 -1.18 1.61 2.56 -1.26 -4.89 118.70 123.01 2kh2 s GLU 50 Ca 0.00 -2.07 -0.20 0.00 0.00 0.00 0.00 54.97 52.70 2kh2 s GLU 50 Cb 0.00 -5.45 -0.03 0.00 2.00 0.00 0.00 34.13 30.65 2kh2 s GLU 50 CO 0.00 -2.17 1.92 -1.91 -0.56 0.00 0.00 175.26 172.54 2kh2 n GLU 51 N 7.91 2.28 -2.42 4.30 2.13 -1.26 -4.24 120.64 129.34 2kh2 n GLU 51 Ca 0.46 -2.62 -0.22 0.00 0.66 0.00 0.00 57.16 55.44 2kh2 n GLU 51 Cb 0.46 -3.43 0.11 0.00 0.27 0.00 0.00 31.44 28.85 2kh2 n GLU 51 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2kh2 n SER 52 N 9.86 1.23 0.06 4.31 2.88 -0.86 -5.02 113.62 126.08 2kh2 n SER 52 Ca 0.48 -2.05 0.02 0.00 -1.33 0.00 0.00 58.87 56.00 2kh2 n SER 52 Cb 0.44 -0.62 -0.05 0.00 -0.75 0.00 0.00 64.21 63.23 2kh2 n SER 52 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2kh2 h ASN 53 N -0.60 0.00 0.00 -3.46 -0.73 -2.01 -3.39 115.58 105.39 2kh2 h ASN 53 Ca -0.31 0.00 -0.32 0.00 1.87 0.00 0.00 56.30 57.54 2kh2 h ASN 53 Cb 1.15 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.68 2kh2 h ASN 53 CO 0.33 0.47 -2.14 -0.90 -0.37 0.00 0.00 177.43 174.82 2kh2 n ASP 54 N -2.90 2.03 -4.57 1.15 5.75 -1.26 -4.92 116.55 111.83 2kh2 n ASP 54 Ca -0.07 0.05 -0.41 0.00 -0.01 0.00 0.00 54.79 54.36 2kh2 n ASP 54 Cb 0.78 -0.45 -0.07 0.00 -1.03 0.00 0.00 41.12 40.35 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2kh2 s LYS 55 N -2.39 3.74 -0.30 0.11 1.02 -1.26 -2.35 119.74 118.30 2kh2 s LYS 55 Ca -0.28 0.01 -0.05 0.00 0.02 0.00 0.00 55.97 55.67 2kh2 s LYS 55 Cb 0.09 -3.77 0.03 0.00 -0.52 0.00 0.00 37.83 33.65 2kh2 s LYS 55 CO 0.42 -0.61 0.06 0.42 -0.92 0.00 0.00 175.35 174.72 2kh2 s ILE 56 N 2.47 3.61 -0.31 2.17 -1.09 0.21 -2.03 121.20 126.24 2kh2 s ILE 56 Ca 0.21 -0.98 -0.29 0.00 -2.23 0.00 0.00 60.65 57.36 2kh2 s ILE 56 Cb -0.15 -2.95 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 2kh2 s ILE 56 CO 0.13 -0.02 1.27 -2.16 -1.23 0.00 0.00 174.94 172.94 2kh2 s PRO 57 N 1.41 3.92 0.13 2.79 0.04 -1.26 -0.76 135.00 141.27 2kh2 s PRO 57 Ca -0.00 1.19 -0.03 0.00 0.04 0.00 0.00 61.00 62.21 2kh2 s PRO 57 Cb -0.18 -3.87 -0.03 0.00 0.04 0.00 0.00 34.50 30.46 2kh2 s PRO 57 CO 0.01 -1.12 0.09 0.14 0.04 0.00 0.00 177.00 176.17 2kh2 s VAL 58 N 4.32 0.11 0.16 -0.36 -7.23 -0.56 -3.34 120.40 113.50 2kh2 s VAL 58 Ca 0.55 -1.79 0.04 0.00 -1.81 0.00 0.00 61.98 58.97 2kh2 s VAL 58 Cb -0.16 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 2kh2 s VAL 58 CO 0.23 -0.48 0.17 0.00 -0.31 0.00 0.00 175.10 174.71 2kh2 s ALA 59 N -4.02 3.66 -0.25 1.32 0.00 0.17 -0.66 121.76 121.98 2kh2 s ALA 59 Ca 0.21 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 51.02 2kh2 s ALA 59 Cb 0.07 -1.46 0.06 0.00 0.00 0.00 0.00 23.12 21.79 2kh2 s ALA 59 CO 0.00 0.52 -0.05 -0.51 0.00 0.00 0.00 175.76 175.72 2kh2 s LEU 60 N -3.10 2.94 0.16 0.00 1.43 -1.26 -2.57 118.68 116.28 2kh2 s LEU 60 Ca 0.32 -1.32 0.04 0.00 -1.03 0.00 0.00 54.13 52.13 2kh2 s LEU 60 Cb -0.10 -1.29 -0.05 0.00 0.03 0.00 0.00 46.19 44.78 2kh2 s LEU 60 CO 0.24 -0.24 -0.07 -0.83 0.23 0.00 0.00 176.35 175.69 2kh2 s GLY 61 N 1.29 1.15 0.09 -3.19 0.00 -1.12 -0.30 107.32 105.25 2kh2 s GLY 61 Ca -0.05 -1.54 -0.30 0.00 0.00 0.00 0.00 44.72 42.83 2kh2 s GLY 61 CO -0.07 -1.58 0.97 1.08 0.00 0.00 0.00 173.10 173.50 2kh2 s LEU 62 N -3.18 4.48 0.15 0.66 1.02 -0.10 -0.14 118.68 121.56 2kh2 s LEU 62 Ca 0.19 1.79 -0.34 0.00 0.02 0.00 0.00 54.13 55.79 2kh2 s LEU 62 Cb 0.04 -3.59 -0.15 0.00 0.02 0.00 0.00 46.19 42.52 2kh2 s LEU 62 CO 0.02 -0.11 1.48 1.17 0.02 0.00 0.00 176.35 178.92 2kh2 n LYS 63 N 2.97 1.81 -2.77 1.70 4.81 -0.34 -1.76 118.16 124.58 2kh2 n LYS 63 Ca 0.03 0.65 -0.16 0.00 -0.87 0.00 0.00 58.31 57.96 2kh2 n LYS 63 Cb 0.49 -2.36 -0.00 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 2.95 -2.81 -4.20 1.64 0.00 -1.26 -4.96 120.64 112.00 2kh2 n GLU 64 Ca 0.17 0.58 -0.12 0.00 0.00 0.00 0.00 57.16 57.79 2kh2 n GLU 64 Cb 0.26 -5.23 -0.10 0.00 0.00 0.00 0.00 31.44 26.37 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2kh2 s LYS 65 N -5.39 0.98 -0.19 3.44 1.02 -0.72 -5.04 119.74 113.84 2kh2 s LYS 65 Ca 0.15 -1.45 0.15 0.00 0.02 0.00 0.00 55.97 54.84 2kh2 s LYS 65 Cb -0.08 -0.14 0.76 0.00 -0.52 0.00 0.00 37.83 37.85 2kh2 s LYS 65 CO 0.18 -0.12 1.67 0.27 -0.92 0.00 0.00 175.35 176.43 2kh2 n ASN 66 N -0.14 5.26 -4.57 2.83 6.94 -1.26 -4.62 115.26 119.70 2kh2 n ASN 66 Ca -0.08 -2.75 -0.40 0.00 -0.02 0.00 0.00 54.58 51.32 2kh2 n ASN 66 Cb 0.62 -0.65 -0.09 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 -2.38 4.23 0.05 -4.53 1.43 -1.26 -2.41 118.68 113.82 2kh2 s LEU 67 Ca 0.51 0.03 0.09 0.00 -1.03 0.00 0.00 54.13 53.73 2kh2 s LEU 67 Cb 0.37 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 2kh2 s LEU 67 CO 0.18 -0.28 -0.25 -0.31 0.23 0.00 0.00 176.35 175.92 2kh2 s TYR 68 N 2.08 2.15 -0.07 0.29 1.51 -0.71 -0.93 117.35 121.67 2kh2 s TYR 68 Ca 0.14 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.50 2kh2 s TYR 68 Cb -0.16 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 2kh2 s TYR 68 CO 0.11 0.14 1.24 -0.51 -1.11 0.00 0.00 175.55 175.42 2kh2 s LEU 69 N -1.32 4.26 0.02 -1.29 1.43 0.59 -1.14 118.68 121.24 2kh2 s LEU 69 Ca 0.11 1.82 0.04 0.00 -1.03 0.00 0.00 54.13 55.07 2kh2 s LEU 69 Cb -0.10 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 2kh2 s LEU 69 CO 0.02 -0.64 -0.12 -0.55 0.23 0.00 0.00 176.35 175.29 2kh2 s SER 70 N 1.66 1.45 -0.18 2.29 0.15 0.18 -4.50 113.70 114.75 2kh2 s SER 70 Ca 0.57 -0.38 -0.02 0.00 0.70 0.00 0.00 55.95 56.82 2kh2 s SER 70 Cb -0.25 -0.10 -0.00 0.00 -1.71 0.00 0.00 66.02 63.96 2kh2 s SER 70 CO 0.21 0.04 -0.11 0.00 1.20 0.00 0.00 173.24 174.58 2kh2 s VAL 72 N 1.10 0.58 -0.25 0.00 -7.23 -0.38 -4.74 120.40 109.48 2kh2 s VAL 72 Ca 0.00 -1.97 -0.21 0.00 -1.81 0.00 0.00 61.98 57.99 2kh2 s VAL 72 Cb -0.14 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 34.61 2kh2 s VAL 72 CO -0.03 -0.42 0.67 -0.76 -0.31 0.00 0.00 175.10 174.25 2kh2 s LEU 73 N -3.17 4.07 -0.16 1.32 1.43 -1.26 0.54 118.68 121.44 2kh2 s LEU 73 Ca 0.25 0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 54.12 2kh2 s LEU 73 Cb 0.06 -2.92 0.04 0.00 0.03 0.00 0.00 46.19 43.41 2kh2 s LEU 73 CO 0.05 -0.40 -0.07 -0.54 0.23 0.00 0.00 176.35 175.62 2kh2 s LYS 74 N 2.56 1.60 -1.05 1.70 1.02 0.76 -4.77 119.74 121.56 2kh2 s LYS 74 Ca 0.28 -0.53 -0.01 0.00 0.02 0.00 0.00 55.97 55.73 2kh2 s LYS 74 Cb -0.15 -2.01 -0.01 0.00 -0.52 0.00 0.00 37.83 35.13 2kh2 s LYS 74 CO 0.08 -0.39 0.88 -3.47 -0.92 0.00 0.00 175.35 171.54 2kh2 n ASP 75 N 4.85 -2.67 -2.08 2.83 4.64 -1.26 -2.47 116.55 120.39 2kh2 n ASP 75 Ca -0.13 -0.57 -0.18 0.00 -1.38 0.00 0.00 54.79 52.54 2kh2 n ASP 75 Cb 0.48 -4.66 -0.03 0.00 -1.04 0.00 0.00 41.12 35.87 2kh2 n ASP 75 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 2kh2 n ASP 76 N -2.93 -5.04 -3.73 1.67 4.64 -1.26 -4.97 116.55 104.93 2kh2 n ASP 76 Ca -0.23 0.20 -0.14 0.00 -1.38 0.00 0.00 54.79 53.24 2kh2 n ASP 76 Cb 0.65 -4.32 -0.14 0.00 -1.04 0.00 0.00 41.12 36.26 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 2kh2 s LYS 77 N -4.47 0.09 -0.01 -0.67 2.47 -1.03 -5.12 119.74 111.00 2kh2 s LYS 77 Ca 0.00 0.41 -0.30 0.00 -1.56 0.00 0.00 55.97 54.52 2kh2 s LYS 77 Cb 0.00 -0.19 -0.08 0.00 -1.46 0.00 0.00 37.83 36.11 2kh2 s LYS 77 CO 0.00 -0.19 1.87 -2.14 0.16 0.00 0.00 175.35 175.05 2kh2 s PRO 78 N 1.34 4.12 -0.02 4.03 0.02 -1.26 -0.17 135.00 143.05 2kh2 s PRO 78 Ca -0.08 2.44 0.05 0.00 0.02 0.00 0.00 61.00 63.43 2kh2 s PRO 78 Cb -0.12 -4.11 -0.01 0.00 0.02 0.00 0.00 34.50 30.28 2kh2 s PRO 78 CO -0.06 -0.96 -0.17 0.99 -0.33 0.00 0.00 177.00 176.47 2kh2 s THR 79 N 4.46 1.35 0.23 0.99 2.01 0.19 -4.70 115.64 120.17 2kh2 s THR 79 Ca 0.84 -0.71 -0.18 0.00 0.31 0.00 0.00 61.69 61.95 2kh2 s THR 79 Cb -0.39 -1.13 -0.08 0.00 0.01 0.00 0.00 72.50 70.91 2kh2 s THR 79 CO 0.37 0.38 0.71 -0.22 -0.69 0.00 0.00 174.62 175.17 2kh2 s LEU 80 N -0.25 4.29 0.36 4.42 2.96 -1.26 -1.25 118.68 127.94 2kh2 s LEU 80 Ca 0.03 1.35 -0.17 0.00 -0.22 0.00 0.00 54.13 55.12 2kh2 s LEU 80 Cb -0.08 -3.65 0.05 0.00 0.50 0.00 0.00 46.19 43.01 2kh2 s LEU 80 CO 0.00 -0.01 0.79 0.00 -1.32 0.00 0.00 176.35 175.81 2kh2 s GLN 81 N -2.17 2.14 -0.19 1.98 1.03 0.45 -4.88 119.66 118.01 2kh2 s GLN 81 Ca 0.45 -1.35 -0.04 0.00 0.04 0.00 0.00 55.36 54.46 2kh2 s GLN 81 Cb -0.15 0.62 -0.02 0.00 0.03 0.00 0.00 33.01 33.48 2kh2 s GLN 81 CO 0.20 -1.00 -0.02 -0.51 -2.54 0.00 0.00 175.29 171.42 2kh2 s LEU 82 N -3.05 3.18 -0.13 2.60 2.01 -1.26 -0.64 118.68 121.38 2kh2 s LEU 82 Ca 0.15 -0.22 0.00 0.00 0.01 0.00 0.00 54.13 54.08 2kh2 s LEU 82 Cb -0.05 -1.79 -0.01 0.00 0.01 0.00 0.00 46.19 44.34 2kh2 s LEU 82 CO 0.10 0.08 -0.15 -1.61 1.01 0.00 0.00 176.35 175.79 2kh2 s GLU 83 N 0.88 3.34 -0.43 1.70 2.02 -0.29 -4.93 118.70 120.98 2kh2 s GLU 83 Ca 0.00 -0.71 -0.20 0.00 0.02 0.00 0.00 54.97 54.08 2kh2 s GLU 83 Cb -0.14 -2.59 0.02 0.00 0.10 0.00 0.00 34.13 31.52 2kh2 s GLU 83 CO 0.02 0.21 0.62 -1.12 0.02 0.00 0.00 175.26 175.00 2kh2 s SER 84 N 0.35 6.31 0.40 -0.19 0.01 -1.26 -1.74 113.70 117.59 2kh2 s SER 84 Ca -0.12 -0.37 0.08 0.00 1.31 0.00 0.00 55.95 56.84 2kh2 s SER 84 Cb -0.16 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2kh2 s SER 84 CO 0.06 -0.75 0.24 0.68 0.41 0.00 0.00 173.24 173.88 2kh2 s VAL 85 N 2.73 2.54 -0.22 3.43 -7.23 -1.01 -5.05 120.40 115.60 2kh2 s VAL 85 Ca 0.21 -1.59 -0.34 0.00 -1.81 0.00 0.00 61.98 58.46 2kh2 s VAL 85 Cb -0.14 -3.00 -0.10 0.00 0.56 0.00 0.00 36.38 33.69 2kh2 s VAL 85 CO 0.18 -0.03 2.06 -0.67 -0.31 0.00 0.00 175.10 176.33 2kh2 n ASP 86 N -1.32 2.91 0.29 4.85 2.03 -1.26 -4.86 116.55 119.18 2kh2 n ASP 86 Ca 0.00 0.62 0.15 0.00 0.52 0.00 0.00 54.79 56.08 2kh2 n ASP 86 Cb 0.63 -1.36 0.86 0.00 -0.72 0.00 0.00 41.12 40.53 2kh2 n ASP 86 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2kh2 h PRO 87 N 11.45 0.00 0.00 -0.67 0.13 -1.91 -2.41 132.00 138.59 2kh2 h PRO 87 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 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 0.98 0.06 -1.03 0.36 -0.23 0.00 0.00 178.00 178.14 2kh2 n LYS 88 N -3.62 0.53 -0.14 0.86 2.85 -1.26 -3.93 118.16 113.44 2kh2 n LYS 88 Ca -0.02 0.08 0.11 0.00 -1.05 0.00 0.00 58.31 57.43 2kh2 n LYS 88 Cb 0.16 -1.76 0.18 0.00 -0.65 0.00 0.00 35.03 32.96 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 -2.49 3.21 -4.01 -5.58 3.02 -0.96 -4.92 115.26 103.52 2kh2 n ASN 89 Ca 0.00 -1.94 -0.16 0.00 -0.03 0.00 0.00 54.58 52.45 2kh2 n ASN 89 Cb 0.52 -0.19 -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 -1.47 0.64 0.26 3.10 1.51 -0.95 -4.52 117.35 115.93 2kh2 s TYR 90 Ca 0.33 -0.23 -0.03 0.00 -1.01 0.00 0.00 57.07 56.13 2kh2 s TYR 90 Cb 0.20 -0.40 0.06 0.00 -0.11 0.00 0.00 41.96 41.71 2kh2 s TYR 90 CO 0.28 -0.02 0.35 -0.35 -1.11 0.00 0.00 175.55 174.70 2kh2 n PRO 91 N 2.47 -0.11 -3.96 -1.71 -0.04 -1.26 -4.79 135.00 125.60 2kh2 n PRO 91 Ca -0.16 -0.66 -0.09 0.00 -0.04 0.00 0.00 63.50 62.55 2kh2 n PRO 91 Cb 0.57 -0.33 -0.05 0.00 -0.04 0.00 0.00 33.50 33.65 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 -3.61 1.46 0.06 0.54 -2.85 -1.26 -5.07 119.74 109.01 2kh2 s LYS 92 Ca 0.21 -1.19 -0.23 0.00 -1.00 0.00 0.00 55.97 53.76 2kh2 s LYS 92 Cb -0.01 0.46 -0.15 0.00 -2.06 0.00 0.00 37.83 36.07 2kh2 s LYS 92 CO 0.14 -0.60 1.61 -0.22 0.10 0.00 0.00 175.35 176.39 2kh2 h LYS 93 N 2.29 0.05 -3.91 1.78 3.11 -1.98 -3.36 116.57 114.55 2kh2 h LYS 93 Ca -0.27 -0.01 -0.72 0.00 -2.81 0.00 0.00 60.65 56.84 2kh2 h LYS 93 Cb 1.25 -0.01 -0.32 0.00 -1.00 0.00 0.00 32.23 32.15 2kh2 h LYS 93 CO 0.38 0.17 -0.29 0.21 -2.81 0.00 0.00 179.45 177.10 2kh2 s LYS 94 N -5.64 2.70 0.59 1.90 2.47 -1.26 -2.60 119.74 117.90 2kh2 s LYS 94 Ca -0.14 -2.24 -0.05 0.00 -1.56 0.00 0.00 55.97 51.98 2kh2 s LYS 94 Cb 0.05 -3.92 0.02 0.00 -1.46 0.00 0.00 37.83 32.52 2kh2 s LYS 94 CO 0.67 -1.20 0.89 -1.64 0.16 0.00 0.00 175.35 174.23 2kh2 s MET 95 N 0.48 2.78 0.49 4.03 -1.94 -1.26 -5.03 119.30 118.85 2kh2 s MET 95 Ca 0.13 -0.16 -0.24 0.00 -1.71 0.00 0.00 55.69 53.71 2kh2 s MET 95 Cb -0.20 -2.30 -0.07 0.00 2.01 0.00 0.00 34.83 34.27 2kh2 s MET 95 CO -0.04 -0.75 1.40 -1.21 -0.01 0.00 0.00 175.02 174.41 2kh2 s GLU 96 N -4.97 3.47 0.60 2.03 8.01 -1.26 -4.84 118.70 121.74 2kh2 s GLU 96 Ca 0.55 2.36 0.31 0.00 0.01 0.00 0.00 54.97 58.19 2kh2 s GLU 96 Cb -0.10 -2.50 1.80 0.00 -4.31 0.00 0.00 34.13 29.01 2kh2 s GLU 96 CO 0.44 -0.97 2.18 -0.22 0.01 0.00 0.00 175.26 176.69 2kh2 h LYS 97 N 1.99 0.00 0.00 1.61 3.64 -1.96 0.18 116.57 122.03 2kh2 h LYS 97 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2kh2 h LYS 97 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2kh2 h LYS 97 CO 0.60 0.00 0.00 2.89 -2.27 0.00 0.00 179.45 180.67 2kh2 n ARG 98 N -3.70 0.11 -0.01 1.90 1.85 -1.26 -2.52 116.66 113.03 2kh2 n ARG 98 Ca -0.01 0.21 0.06 0.00 -1.00 0.00 0.00 57.85 57.11 2kh2 n ARG 98 Cb 0.21 -1.66 0.06 0.00 -1.05 0.00 0.00 32.46 30.02 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 -1.87 0.03 -3.55 2.89 3.72 0.61 -1.13 117.46 118.17 2kh2 n PHE 99 Ca 0.05 -0.03 -0.37 0.00 -0.05 0.00 0.00 57.45 57.04 2kh2 n PHE 99 Cb 0.30 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.75 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 -1.01 5.29 0.10 -4.37 1.01 -1.03 -4.00 120.40 116.41 2kh2 s VAL 100 Ca 0.15 0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.57 2kh2 s VAL 100 Cb 0.10 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2kh2 s VAL 100 CO 0.15 0.29 -0.14 -0.36 0.00 0.00 0.00 175.10 175.04 2kh2 s PHE 101 N 1.34 2.64 -0.56 5.22 0.08 0.17 -1.91 117.98 124.96 2kh2 s PHE 101 Ca 0.11 -0.21 -0.16 0.00 0.12 0.00 0.00 56.93 56.80 2kh2 s PHE 101 Cb -0.14 -1.40 0.14 0.00 -0.57 0.00 0.00 43.02 41.05 2kh2 s PHE 101 CO 0.07 0.40 0.52 -0.80 -0.10 0.00 0.00 175.22 175.31 2kh2 s ASN 102 N -2.13 6.23 -0.73 1.36 0.02 0.25 -1.49 114.94 118.46 2kh2 s ASN 102 Ca 0.19 -1.87 -0.26 0.00 -1.02 0.00 0.00 52.86 49.90 2kh2 s ASN 102 Cb -0.11 -2.21 0.01 0.00 0.02 0.00 0.00 41.25 38.97 2kh2 s ASN 102 CO 0.12 -0.83 1.48 -0.75 0.02 0.00 0.00 177.10 177.14 2kh2 s LYS 103 N 1.47 3.04 0.16 -0.60 2.20 0.06 -1.83 119.74 124.24 2kh2 s LYS 103 Ca 0.04 -0.07 -0.20 0.00 -0.36 0.00 0.00 55.97 55.39 2kh2 s LYS 103 Cb -0.28 -4.36 -0.08 0.00 -1.51 0.00 0.00 37.83 31.60 2kh2 s LYS 103 CO 0.02 -2.36 0.67 0.42 -0.36 0.00 0.00 175.35 173.73 2kh2 s ILE 104 N 6.78 4.62 -0.61 5.43 1.01 0.69 -0.62 121.20 138.50 2kh2 s ILE 104 Ca 0.46 1.27 0.05 0.00 0.00 0.00 0.00 60.65 62.44 2kh2 s ILE 104 Cb -0.09 -3.90 0.18 0.00 0.01 0.00 0.00 42.46 38.67 2kh2 s ILE 104 CO 0.14 0.36 0.49 -0.62 0.00 0.00 0.00 174.94 175.31 2kh2 n GLU 105 N 1.14 1.46 0.00 2.79 1.02 -0.99 -0.64 120.64 125.42 2kh2 n GLU 105 Ca -0.05 -4.12 0.00 0.00 -0.02 0.00 0.00 57.16 52.97 2kh2 n GLU 105 Cb 0.51 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 2kh2 n GLU 105 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2kh2 n ILE 106 N 1.99 0.00 0.00 -3.67 -5.35 -1.24 -4.94 119.36 106.15 2kh2 n ILE 106 Ca 0.24 1.16 0.00 0.00 -0.27 0.00 0.00 62.75 63.88 2kh2 n ILE 106 Cb 0.40 -2.11 0.00 0.00 -1.74 0.00 0.00 39.64 36.19 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 -1.58 0.00 -0.53 7.28 0.23 -1.26 -4.96 115.26 114.44 2kh2 n ASN 107 Ca 0.00 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.10 2kh2 n ASN 107 Cb 0.00 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 37.80 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 2.40 -4.42 0.53 4.05 -1.26 -4.94 115.26 111.62 2kh2 n ASN 108 Ca 0.00 -1.72 -0.32 0.00 0.45 0.00 0.00 54.58 52.98 2kh2 n ASN 108 Cb 0.00 -0.11 -0.14 0.00 1.23 0.00 0.00 39.78 40.76 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 -0.95 2.58 -0.06 1.20 -0.14 -1.26 -4.89 119.74 116.21 2kh2 s LYS 109 Ca 0.18 -0.74 -0.06 0.00 -1.36 0.00 0.00 55.97 53.98 2kh2 s LYS 109 Cb 0.10 -2.35 -0.04 0.00 -1.68 0.00 0.00 37.83 33.86 2kh2 s LYS 109 CO 0.15 0.54 0.19 -0.51 -0.76 0.00 0.00 175.35 174.95 2kh2 s LEU 110 N -0.52 4.39 0.01 3.17 1.43 0.55 -3.69 118.68 124.02 2kh2 s LEU 110 Ca 0.07 0.48 0.05 0.00 -1.03 0.00 0.00 54.13 53.70 2kh2 s LEU 110 Cb -0.12 -2.35 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 2kh2 s LEU 110 CO 0.01 0.34 -0.12 -1.61 0.23 0.00 0.00 176.35 175.20 2kh2 s GLU 111 N -1.41 2.37 -0.40 1.70 2.02 0.19 -0.65 118.70 122.51 2kh2 s GLU 111 Ca 0.21 -0.82 0.03 0.00 0.02 0.00 0.00 54.97 54.41 2kh2 s GLU 111 Cb -0.13 -2.37 0.11 0.00 0.10 0.00 0.00 34.13 31.84 2kh2 s GLU 111 CO 0.11 0.58 0.14 -0.06 0.02 0.00 0.00 175.26 176.05 2kh2 s PHE 112 N -0.94 3.60 0.15 1.61 0.08 -1.26 -0.22 117.98 120.99 2kh2 s PHE 112 Ca 0.16 -2.94 -0.05 0.00 0.12 0.00 0.00 56.93 54.21 2kh2 s PHE 112 Cb -0.11 -2.97 -0.06 0.00 -0.57 0.00 0.00 43.02 39.32 2kh2 s PHE 112 CO 0.06 -0.90 0.39 -2.00 -0.10 0.00 0.00 175.22 172.67 2kh2 s GLU 113 N 0.64 3.64 -0.04 0.44 2.12 -0.76 -0.78 118.70 123.97 2kh2 s GLU 113 Ca 0.12 -0.04 -0.25 0.00 0.36 0.00 0.00 54.97 55.16 2kh2 s GLU 113 Cb -0.21 -2.83 -0.04 0.00 0.26 0.00 0.00 34.13 31.31 2kh2 s GLU 113 CO -0.06 0.46 0.75 0.45 -0.54 0.00 0.00 175.26 176.32 2kh2 s SER 114 N -2.40 7.09 0.14 -1.70 0.15 0.19 0.85 113.70 118.03 2kh2 s SER 114 Ca 0.41 1.31 -0.10 0.00 0.70 0.00 0.00 55.95 58.28 2kh2 s SER 114 Cb -0.12 -2.45 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 2kh2 s SER 114 CO 0.24 -0.11 1.44 0.00 1.20 0.00 0.00 173.24 176.01 2kh2 h ALA 115 N 6.55 0.54 -0.72 5.45 0.00 -1.59 -2.98 119.26 126.52 2kh2 h ALA 115 Ca -0.42 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 53.95 2kh2 h ALA 115 Cb 1.20 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2kh2 h ALA 115 CO 0.74 0.68 0.27 0.37 0.00 0.00 0.00 179.25 181.32 2kh2 h GLN 116 N 0.64 1.07 -3.28 0.00 5.75 -1.73 -3.37 115.11 114.19 2kh2 h GLN 116 Ca 0.02 -0.19 -0.62 0.00 -0.15 0.00 0.00 58.65 57.71 2kh2 h GLN 116 Cb 1.10 -0.18 -0.40 0.00 1.07 0.00 0.00 27.48 29.07 2kh2 h GLN 116 CO 0.11 0.88 -0.71 -0.06 -2.65 0.00 0.00 178.83 176.40 2kh2 s PHE 117 N -5.47 2.38 0.63 3.99 0.08 -1.15 -5.07 117.98 113.38 2kh2 s PHE 117 Ca -0.11 -2.57 -0.18 0.00 0.12 0.00 0.00 56.93 54.18 2kh2 s PHE 117 Cb 0.16 -2.18 -0.02 0.00 -0.57 0.00 0.00 43.02 40.41 2kh2 s PHE 117 CO 0.82 -0.80 1.27 -2.14 -0.10 0.00 0.00 175.22 174.27 2kh2 s PRO 118 N 0.39 2.69 0.00 0.24 0.02 -1.14 -2.53 135.00 134.66 2kh2 s PRO 118 Ca 0.16 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.17 2kh2 s PRO 118 Cb -0.24 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.41 2kh2 s PRO 118 CO -0.03 -1.47 0.00 0.09 -0.33 0.00 0.00 177.00 175.26 2kh2 n ASN 119 N -1.80 -0.36 -4.32 2.53 4.13 -1.26 -4.98 115.26 109.20 2kh2 n ASN 119 Ca 0.15 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.05 2kh2 n ASN 119 Cb 0.49 -0.63 -0.13 0.00 -1.54 0.00 0.00 39.78 37.96 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2kh2 s TRP 120 N -3.16 3.10 0.20 3.10 0.52 -1.05 -4.51 118.94 117.13 2kh2 s TRP 120 Ca 0.00 -1.02 0.10 0.00 0.02 0.00 0.00 56.10 55.20 2kh2 s TRP 120 Cb 0.00 -2.19 -0.04 0.00 -1.15 0.00 0.00 33.47 30.08 2kh2 s TRP 120 CO 0.00 -0.58 -0.14 0.71 0.02 0.00 0.00 176.95 176.96 2kh2 s TYR 121 N 1.48 2.51 0.03 -1.98 1.51 0.09 -0.64 117.35 120.35 2kh2 s TYR 121 Ca 0.03 -0.27 -0.30 0.00 -1.01 0.00 0.00 57.07 55.51 2kh2 s TYR 121 Cb -0.16 -1.22 -0.06 0.00 -0.11 0.00 0.00 41.96 40.41 2kh2 s TYR 121 CO 0.00 0.53 1.46 0.42 -1.11 0.00 0.00 175.55 176.85 2kh2 s ILE 122 N -1.79 3.53 0.28 2.71 1.01 0.04 -0.17 121.20 126.81 2kh2 s ILE 122 Ca 0.24 0.95 0.04 0.00 0.00 0.00 0.00 60.65 61.88 2kh2 s ILE 122 Cb -0.08 -3.61 -0.06 0.00 0.01 0.00 0.00 42.46 38.72 2kh2 s ILE 122 CO 0.14 0.00 0.00 -0.44 0.00 0.00 0.00 174.94 174.65 2kh2 s SER 123 N 1.93 2.27 -0.10 3.58 0.01 0.81 -4.62 113.70 117.58 2kh2 s SER 123 Ca 0.66 -1.27 -0.10 0.00 1.31 0.00 0.00 55.95 56.56 2kh2 s SER 123 Cb -0.34 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 65.85 2kh2 s SER 123 CO 0.28 -0.50 0.28 -0.89 0.41 0.00 0.00 173.24 172.82 2kh2 s THR 124 N -3.27 0.00 0.78 1.44 2.01 -0.95 -2.35 115.64 113.31 2kh2 s THR 124 Ca 0.32 -0.01 -0.11 0.00 0.31 0.00 0.00 61.69 62.19 2kh2 s THR 124 Cb 0.06 -0.40 0.06 0.00 0.01 0.00 0.00 72.50 72.23 2kh2 s THR 124 CO 0.12 -0.01 1.09 -0.44 -0.69 0.00 0.00 174.62 174.70 2kh2 s SER 125 N 0.12 4.63 0.28 3.53 0.01 -1.26 -0.04 113.70 120.97 2kh2 s SER 125 Ca -0.00 1.34 0.05 0.00 1.31 0.00 0.00 55.95 58.65 2kh2 s SER 125 Cb -0.02 -2.09 0.41 0.00 0.21 0.00 0.00 66.02 64.53 2kh2 s SER 125 CO 0.00 -1.89 1.68 1.56 0.41 0.00 0.00 173.24 175.01 2kh2 h GLN 126 N -1.03 0.31 -7.13 12.44 1.08 -1.97 -3.45 115.11 115.35 2kh2 h GLN 126 Ca -0.47 -0.15 -0.54 0.00 -1.45 0.00 0.00 58.65 56.04 2kh2 h GLN 126 Cb 1.26 -0.00 0.15 0.00 -0.05 0.00 0.00 27.48 28.84 2kh2 h GLN 126 CO 0.59 0.66 0.46 0.00 -0.95 0.00 0.00 178.83 179.60 2kh2 s ALA 127 N -4.17 2.30 0.33 3.87 0.00 -1.26 -5.00 121.76 117.83 2kh2 s ALA 127 Ca -0.05 1.06 -0.14 0.00 0.00 0.00 0.00 51.96 52.83 2kh2 s ALA 127 Cb 0.13 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 2kh2 s ALA 127 CO 0.78 -1.64 0.73 -2.00 0.00 0.00 0.00 175.76 173.64 2kh2 s GLU 128 N -3.56 3.97 -0.98 0.00 2.56 -1.26 -4.05 118.70 115.37 2kh2 s GLU 128 Ca 0.79 0.63 0.00 0.00 0.00 0.00 0.00 54.97 56.39 2kh2 s GLU 128 Cb -0.33 -2.43 0.00 0.00 2.00 0.00 0.00 34.13 33.36 2kh2 s GLU 128 CO 0.41 0.14 0.00 -1.71 -0.56 0.00 0.00 175.26 173.54 2kh2 n ASN 129 N -0.47 -3.87 -4.86 -1.70 5.15 -1.10 -5.01 115.26 103.40 2kh2 n ASN 129 Ca 0.03 0.14 -0.37 0.00 -0.60 0.00 0.00 54.58 53.79 2kh2 n ASN 129 Cb 0.53 -2.62 -0.06 0.00 -0.53 0.00 0.00 39.78 37.11 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 -3.53 3.77 0.97 1.20 -1.94 -1.24 -4.86 119.30 113.67 2kh2 s MET 130 Ca 0.00 0.22 -0.12 0.00 -1.71 0.00 0.00 55.69 54.08 2kh2 s MET 130 Cb 0.00 -3.15 0.17 0.00 2.01 0.00 0.00 34.83 33.87 2kh2 s MET 130 CO 0.00 0.67 1.09 -2.14 -0.01 0.00 0.00 175.02 174.63 2kh2 s PRO 131 N -1.34 0.63 -0.13 2.03 0.02 -1.26 -1.09 135.00 133.87 2kh2 s PRO 131 Ca 0.25 0.68 -0.13 0.00 0.02 0.00 0.00 61.00 61.82 2kh2 s PRO 131 Cb -0.15 -1.75 -0.05 0.00 0.02 0.00 0.00 34.50 32.58 2kh2 s PRO 131 CO 0.13 -2.64 0.30 0.08 -0.33 0.00 0.00 177.00 174.54 2kh2 s VAL 132 N -2.90 5.28 0.28 3.83 1.01 0.23 -4.63 120.40 123.49 2kh2 s VAL 132 Ca 0.65 0.56 0.03 0.00 0.00 0.00 0.00 61.98 63.22 2kh2 s VAL 132 Cb -0.19 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2kh2 s VAL 132 CO 0.58 0.45 0.24 0.72 0.00 0.00 0.00 175.10 177.09 2kh2 s PHE 133 N 0.00 1.43 -0.23 5.22 -0.71 -0.99 -4.87 117.98 117.84 2kh2 s PHE 133 Ca 0.18 -1.50 -0.10 0.00 -1.04 0.00 0.00 56.93 54.47 2kh2 s PHE 133 Cb -0.14 -0.58 -0.05 0.00 -1.21 0.00 0.00 43.02 41.05 2kh2 s PHE 133 CO 0.06 -0.81 0.15 -1.17 -1.34 0.00 0.00 175.22 172.11 2kh2 s LEU 134 N -3.27 4.10 0.16 -1.99 2.96 -1.26 -0.13 118.68 119.25 2kh2 s LEU 134 Ca 0.39 0.12 0.07 0.00 -0.22 0.00 0.00 54.13 54.48 2kh2 s LEU 134 Cb 0.04 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 2kh2 s LEU 134 CO 0.20 0.09 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.35 2kh2 s GLY 135 N 0.93 1.24 -0.03 7.98 0.00 0.75 -4.88 107.32 113.31 2kh2 s GLY 135 Ca 0.07 -1.50 0.11 0.00 0.00 0.00 0.00 44.72 43.40 2kh2 s GLY 135 CO 0.03 -1.58 1.27 0.61 0.00 0.00 0.00 173.10 173.43 2kh2 n GLY 136 N -0.02 2.99 3.23 0.20 0.00 -1.26 -0.73 105.19 109.59 2kh2 n GLY 136 Ca -0.11 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 45.00 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 0.30 4.83 -2.18 2.61 -1.04 -1.26 -4.97 114.28 112.57 2kh2 n THR 137 Ca 0.13 -5.56 -0.42 0.00 -2.04 0.00 0.00 64.05 56.15 2kh2 n THR 137 Cb 0.49 -2.42 -0.03 0.00 -1.82 0.00 0.00 70.33 66.56 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 -1.76 4.22 -0.58 -2.82 2.20 -1.26 -2.55 119.74 117.20 2kh2 s LYS 138 Ca 0.31 1.99 0.00 0.00 -0.36 0.00 0.00 55.97 57.91 2kh2 s LYS 138 Cb -0.05 -3.80 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 2kh2 s LYS 138 CO -0.02 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.65 2kh2 n GLY 139 N 3.85 0.56 0.00 5.54 0.00 -1.26 -5.02 105.19 108.86 2kh2 n GLY 139 Ca 0.15 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.78 0.97 0.11 -0.02 0.00 -1.06 -5.01 105.19 98.41 2kh2 n GLY 140 Ca -0.06 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 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 0.23 -6.90 1.61 7.50 -1.95 -3.46 115.11 112.14 2kh2 h GLN 141 Ca 0.00 -0.40 -0.51 0.00 0.50 0.00 0.00 58.65 58.25 2kh2 h GLN 141 Cb 0.00 0.15 0.04 0.00 0.05 0.00 0.00 27.48 27.72 2kh2 h GLN 141 CO 0.00 1.19 0.50 -0.51 -1.50 0.00 0.00 178.83 178.51 2kh2 s ASP 142 N -6.93 6.80 -0.01 1.46 1.01 -1.26 -4.64 116.67 113.10 2kh2 s ASP 142 Ca -0.17 2.33 -0.30 0.00 0.71 0.00 0.00 52.55 55.11 2kh2 s ASP 142 Cb 0.02 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.27 2kh2 s ASP 142 CO 0.78 -0.48 1.60 -0.63 0.21 0.00 0.00 175.17 176.66 2kh2 s ILE 143 N -1.34 3.47 -0.86 0.77 1.09 0.95 -4.64 121.20 120.63 2kh2 s ILE 143 Ca 0.52 0.72 0.07 0.00 -1.10 0.00 0.00 60.65 60.87 2kh2 s ILE 143 Cb -0.31 -3.47 0.09 0.00 -1.06 0.00 0.00 42.46 37.71 2kh2 s ILE 143 CO 0.40 -0.04 0.83 0.35 -0.10 0.00 0.00 174.94 176.38 2kh2 n THR 144 N 5.13 0.21 -4.78 2.92 -2.24 -1.26 -2.24 114.28 112.03 2kh2 n THR 144 Ca 0.16 -0.61 -0.31 0.00 -2.27 0.00 0.00 64.05 61.03 2kh2 n THR 144 Cb 0.42 1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 69.53 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 -0.70 3.56 0.22 3.42 -4.77 -1.26 -4.53 116.67 112.61 2kh2 s ASP 145 Ca 0.10 -0.47 0.01 0.00 -3.30 0.00 0.00 52.55 48.89 2kh2 s ASP 145 Cb 0.07 -0.50 -0.05 0.00 -1.09 0.00 0.00 42.92 41.35 2kh2 s ASP 145 CO 0.10 0.26 0.08 -0.36 0.70 0.00 0.00 175.17 175.95 2kh2 s PHE 146 N -0.86 1.34 0.10 2.11 0.08 0.17 -3.65 117.98 117.27 2kh2 s PHE 146 Ca 0.13 -1.20 0.10 0.00 0.12 0.00 0.00 56.93 56.08 2kh2 s PHE 146 Cb -0.10 -0.75 -0.04 0.00 -0.57 0.00 0.00 43.02 41.56 2kh2 s PHE 146 CO 0.04 -0.39 -0.23 0.95 -0.10 0.00 0.00 175.22 175.48 2kh2 s THR 147 N -3.85 2.46 -0.27 0.64 -4.23 0.22 -0.33 115.64 110.28 2kh2 s THR 147 Ca 0.34 -1.55 -0.08 0.00 -1.18 0.00 0.00 61.69 59.22 2kh2 s THR 147 Cb 0.07 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.82 2kh2 s THR 147 CO 0.10 0.18 0.10 -0.32 -0.54 0.00 0.00 174.62 174.14 2kh2 s MET 148 N -1.85 3.60 -0.33 3.99 1.75 -1.26 -2.84 119.30 122.36 2kh2 s MET 148 Ca 0.15 -0.52 0.01 0.00 -1.25 0.00 0.00 55.69 54.08 2kh2 s MET 148 Cb -0.10 -3.41 0.08 0.00 2.84 0.00 0.00 34.83 34.24 2kh2 s MET 148 CO 0.06 -0.24 0.04 -0.65 -0.65 0.00 0.00 175.02 173.58 2kh2 s GLN 149 N 1.63 1.95 0.16 4.11 1.11 -0.45 -4.96 119.66 123.21 2kh2 s GLN 149 Ca 0.06 -1.63 -0.31 0.00 0.01 0.00 0.00 55.36 53.49 2kh2 s GLN 149 Cb -0.16 -3.22 -0.09 0.00 -1.01 0.00 0.00 33.01 28.53 2kh2 s GLN 149 CO 0.05 -0.83 1.43 -0.06 0.01 0.00 0.00 175.29 175.89 2kh2 s PHE 150 N 1.07 3.17 0.43 0.91 0.08 -1.26 -0.79 117.98 121.59 2kh2 s PHE 150 Ca 0.03 0.93 0.08 0.00 0.12 0.00 0.00 56.93 58.08 2kh2 s PHE 150 Cb -0.20 -3.75 -0.01 0.00 -0.57 0.00 0.00 43.02 38.49 2kh2 s PHE 150 CO -0.05 -2.60 0.40 0.14 -0.10 0.00 0.00 175.22 173.01 2kh2 s VAL 151 N 0.80 2.56 -1.24 -0.44 -7.23 -1.12 -4.94 120.40 108.79 2kh2 s VAL 151 Ca 0.64 -1.34 -0.11 0.00 -1.81 0.00 0.00 61.98 59.36 2kh2 s VAL 151 Cb -0.39 -2.90 -0.06 0.00 0.56 0.00 0.00 36.38 33.58 2kh2 s VAL 151 CO 0.33 0.00 2.40 -1.54 -0.31 0.00 0.00 175.10 175.98 2kh2 n SER 152 N -1.59 5.66 0.00 4.85 3.41 -1.26 -4.85 113.62 119.84 2kh2 n SER 152 Ca 0.04 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 2kh2 n SER 152 Cb 0.62 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68