#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 0.28 -5.43 0.00 0.11 -2.08 -3.43 132.00 121.45 2kh2 h PRO 2 Ca 0.00 -0.08 -0.62 0.00 0.11 0.00 0.00 66.00 65.41 2kh2 h PRO 2 Cb 0.00 -0.03 -0.32 0.00 0.11 0.00 0.00 31.00 30.76 2kh2 h PRO 2 CO 0.00 0.47 -0.86 0.54 -0.21 0.00 0.00 178.00 177.95 2kh2 s VAL 3 N -5.09 1.69 0.08 3.15 0.11 -1.26 -5.11 120.40 113.97 2kh2 s VAL 3 Ca -0.14 -0.85 0.01 0.00 -2.93 0.00 0.00 61.98 58.07 2kh2 s VAL 3 Cb 0.06 -1.46 -0.04 0.00 -1.53 0.00 0.00 36.38 33.42 2kh2 s VAL 3 CO 0.72 0.48 0.22 -0.13 -3.33 0.00 0.00 175.10 173.06 2kh2 s ARG 4 N 0.10 3.42 -0.06 1.54 0.52 -1.26 -5.01 118.95 118.20 2kh2 s ARG 4 Ca -0.08 -0.48 -0.09 0.00 -0.52 0.00 0.00 55.73 54.56 2kh2 s ARG 4 Cb -0.14 -3.01 0.02 0.00 0.52 0.00 0.00 34.95 32.34 2kh2 s ARG 4 CO 0.04 0.59 0.23 -1.12 0.02 0.00 0.00 175.30 175.06 2kh2 s SER 5 N -2.65 -0.17 0.27 0.23 0.01 -1.26 -2.12 113.70 108.00 2kh2 s SER 5 Ca 0.35 0.26 0.05 0.00 1.31 0.00 0.00 55.95 57.91 2kh2 s SER 5 Cb -0.13 0.39 -0.06 0.00 0.21 0.00 0.00 66.02 66.44 2kh2 s SER 5 CO 0.28 -0.21 -0.02 -0.76 0.41 0.00 0.00 173.24 172.95 2kh2 s LEU 6 N -0.45 2.31 -0.04 2.44 1.43 -0.77 -4.96 118.68 118.65 2kh2 s LEU 6 Ca -0.06 -1.23 0.06 0.00 -1.03 0.00 0.00 54.13 51.87 2kh2 s LEU 6 Cb -0.04 -0.44 -0.02 0.00 0.03 0.00 0.00 46.19 45.72 2kh2 s LEU 6 CO 0.01 -0.46 -0.22 0.20 0.23 0.00 0.00 176.35 176.12 2kh2 s ASN 7 N -3.39 3.40 0.14 2.29 0.01 -1.26 -0.03 114.94 116.10 2kh2 s ASN 7 Ca 0.30 -0.38 -0.23 0.00 -0.71 0.00 0.00 52.86 51.84 2kh2 s ASN 7 Cb 0.05 -0.60 0.07 0.00 0.41 0.00 0.00 41.25 41.18 2kh2 s ASN 7 CO 0.11 0.32 0.59 0.00 -1.51 0.00 0.00 177.10 176.61 2kh2 s THR 9 N -3.56 3.79 -0.13 0.00 2.01 0.52 -0.71 115.64 117.57 2kh2 s THR 9 Ca 0.00 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.26 2kh2 s THR 9 Cb -0.01 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 2kh2 s THR 9 CO -0.11 0.40 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.42 2kh2 s LEU 10 N -1.43 3.32 -0.00 4.42 1.43 -1.26 -2.15 118.68 123.01 2kh2 s LEU 10 Ca 0.17 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2kh2 s LEU 10 Cb -0.11 -1.78 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 2kh2 s LEU 10 CO 0.08 0.24 -0.03 -0.13 0.23 0.00 0.00 176.35 176.75 2kh2 s ARG 11 N -0.09 0.24 0.89 1.70 0.52 -1.25 -3.99 118.95 116.96 2kh2 s ARG 11 Ca 0.02 -0.09 -0.15 0.00 -0.52 0.00 0.00 55.73 54.99 2kh2 s ARG 11 Cb -0.13 -0.24 0.21 0.00 0.52 0.00 0.00 34.95 35.31 2kh2 s ARG 11 CO 0.02 0.05 1.15 -0.40 0.02 0.00 0.00 175.30 176.14 2kh2 n ASP 12 N 3.07 -0.13 0.00 0.23 5.68 -1.21 0.39 116.55 124.58 2kh2 n ASP 12 Ca -0.13 -1.39 0.02 0.00 -0.50 0.00 0.00 54.79 52.79 2kh2 n ASP 12 Cb 0.59 -0.89 0.09 0.00 -1.14 0.00 0.00 41.12 39.76 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 -3.85 0.01 -0.72 -1.12 3.41 -1.24 -0.16 113.62 109.95 2kh2 n SER 13 Ca 0.15 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 2kh2 n SER 13 Cb 0.51 -0.51 0.14 0.00 -0.26 0.00 0.00 64.21 64.10 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 1.82 -1.92 4.33 1.13 -1.26 -4.94 117.38 115.02 2kh2 n GLN 14 Ca 0.01 -1.44 -0.13 0.00 -1.94 0.00 0.00 57.00 53.50 2kh2 n GLN 14 Cb 0.05 -1.47 -0.02 0.00 0.11 0.00 0.00 30.24 28.90 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 0.66 -0.97 -2.33 -1.09 1.13 0.77 -4.98 117.38 110.58 2kh2 n GLN 15 Ca 0.13 0.74 -0.33 0.00 -1.94 0.00 0.00 57.00 55.61 2kh2 n GLN 15 Cb 0.51 -4.89 -0.02 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 -4.06 3.69 0.04 -1.09 1.02 -1.26 -4.52 119.74 113.56 2kh2 s LYS 16 Ca 0.00 1.17 0.07 0.00 0.02 0.00 0.00 55.97 57.22 2kh2 s LYS 16 Cb 0.00 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.19 2kh2 s LYS 16 CO 0.00 -0.50 -0.17 -1.12 -0.92 0.00 0.00 175.35 172.64 2kh2 s SER 17 N -2.62 3.88 -0.17 2.83 0.01 0.11 -3.30 113.70 114.45 2kh2 s SER 17 Ca 0.63 -0.41 -0.28 0.00 1.31 0.00 0.00 55.95 57.20 2kh2 s SER 17 Cb -0.14 -0.65 -0.00 0.00 0.21 0.00 0.00 66.02 65.44 2kh2 s SER 17 CO 0.29 0.25 0.98 -0.76 0.41 0.00 0.00 173.24 174.42 2kh2 s LEU 18 N -1.47 4.17 0.09 2.44 1.43 -1.26 -1.88 118.68 122.21 2kh2 s LEU 18 Ca 0.15 1.39 0.10 0.00 -1.03 0.00 0.00 54.13 54.74 2kh2 s LEU 18 Cb -0.11 -3.48 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 2kh2 s LEU 18 CO 0.06 -0.52 -0.25 0.68 0.23 0.00 0.00 176.35 176.54 2kh2 s VAL 19 N 2.50 2.08 -0.54 -1.59 -7.23 0.72 -1.74 120.40 114.59 2kh2 s VAL 19 Ca 0.44 -1.55 -0.29 0.00 -1.81 0.00 0.00 61.98 58.78 2kh2 s VAL 19 Cb -0.17 -1.82 0.03 0.00 0.56 0.00 0.00 36.38 34.98 2kh2 s VAL 19 CO 0.12 0.17 1.17 -0.04 -0.31 0.00 0.00 175.10 176.21 2kh2 s MET 20 N -1.68 3.60 0.00 4.82 -1.94 -1.26 -1.17 119.30 121.67 2kh2 s MET 20 Ca 0.11 0.37 0.00 0.00 -1.71 0.00 0.00 55.69 54.47 2kh2 s MET 20 Cb -0.10 -3.97 0.00 0.00 2.01 0.00 0.00 34.83 32.77 2kh2 s MET 20 CO 0.04 -1.56 0.08 0.45 -0.01 0.00 0.00 175.02 174.02 2kh2 n SER 21 N 8.20 0.00 -4.97 3.03 2.88 -0.12 -4.98 113.62 117.67 2kh2 n SER 21 Ca 0.10 0.10 -0.24 0.00 -1.33 0.00 0.00 58.87 57.50 2kh2 n SER 21 Cb 0.49 -0.02 0.03 0.00 -0.75 0.00 0.00 64.21 63.96 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 -0.88 2.09 0.51 0.46 0.00 -1.16 -4.94 107.32 103.41 2kh2 s GLY 22 Ca 0.00 -1.62 0.22 0.00 0.00 0.00 0.00 44.72 43.32 2kh2 s GLY 22 CO 0.00 -1.85 2.01 -0.56 0.00 0.00 0.00 173.10 172.70 2kh2 h PRO 23 N 0.46 0.07 -0.25 2.90 0.13 -2.04 -2.38 132.00 130.88 2kh2 h PRO 23 Ca -0.33 -0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.58 2kh2 h PRO 23 Cb 1.30 -0.01 -0.25 0.00 0.13 0.00 0.00 31.00 32.16 2kh2 h PRO 23 CO 0.50 0.04 -0.79 0.66 -0.23 0.00 0.00 178.00 178.18 2kh2 n TYR 24 N -4.42 0.89 -3.89 1.56 4.02 -1.26 -5.05 117.16 109.02 2kh2 n TYR 24 Ca 0.08 -1.56 -0.13 0.00 -0.01 0.00 0.00 57.90 56.28 2kh2 n TYR 24 Cb 0.50 -0.25 -0.15 0.00 -0.02 0.00 0.00 39.34 39.43 2kh2 n TYR 24 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2kh2 s GLU 25 N -2.71 0.06 -0.01 -0.72 2.12 -0.90 -4.56 118.70 111.99 2kh2 s GLU 25 Ca 0.39 0.02 0.06 0.00 0.36 0.00 0.00 54.97 55.80 2kh2 s GLU 25 Cb 0.38 -0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.63 2kh2 s GLU 25 CO -0.06 -0.03 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.92 2kh2 s LEU 26 N 0.24 2.06 0.13 2.70 1.43 -1.26 -0.94 118.68 123.04 2kh2 s LEU 26 Ca -0.02 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 52.74 2kh2 s LEU 26 Cb -0.03 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 2kh2 s LEU 26 CO -0.01 0.23 -0.12 -0.54 0.23 0.00 0.00 176.35 176.15 2kh2 s LYS 27 N -0.59 1.01 -0.16 1.70 1.02 -0.31 -1.61 119.74 120.79 2kh2 s LYS 27 Ca 0.08 -1.31 0.02 0.00 0.02 0.00 0.00 55.97 54.77 2kh2 s LYS 27 Cb -0.08 -0.71 0.01 0.00 -0.52 0.00 0.00 37.83 36.53 2kh2 s LYS 27 CO -0.00 0.11 -0.20 0.00 -0.92 0.00 0.00 175.35 174.34 2kh2 s ALA 28 N -2.70 2.32 0.13 5.17 0.00 0.02 -0.20 121.76 126.50 2kh2 s ALA 28 Ca 0.12 -1.14 -0.13 0.00 0.00 0.00 0.00 51.96 50.81 2kh2 s ALA 28 Cb -0.01 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 22.02 2kh2 s ALA 28 CO 0.02 -0.16 0.34 -0.48 0.00 0.00 0.00 175.76 175.48 2kh2 s LEU 29 N 1.01 0.74 0.18 0.00 0.05 -0.79 -3.31 118.68 116.56 2kh2 s LEU 29 Ca -0.02 -0.55 -0.31 0.00 0.05 0.00 0.00 54.13 53.30 2kh2 s LEU 29 Cb -0.15 1.54 -0.09 0.00 -2.05 0.00 0.00 46.19 45.44 2kh2 s LEU 29 CO -0.06 -0.86 1.46 -1.00 -0.55 0.00 0.00 176.35 175.34 2kh2 s HIS 30 N -3.86 3.11 -0.47 3.48 3.76 -1.26 0.09 115.29 120.13 2kh2 s HIS 30 Ca 0.07 0.90 0.05 0.00 -0.15 0.00 0.00 55.06 55.93 2kh2 s HIS 30 Cb 0.02 -3.80 0.19 0.00 1.11 0.00 0.00 32.58 30.11 2kh2 s HIS 30 CO -0.08 -2.77 0.43 -0.11 -0.85 0.00 0.00 174.74 171.37 2kh2 n LEU 31 N 3.28 0.56 -1.62 0.89 7.94 -1.26 -4.89 117.00 121.90 2kh2 n LEU 31 Ca 0.10 -4.66 -0.14 0.00 -1.11 0.00 0.00 56.01 50.20 2kh2 n LEU 31 Cb 0.40 0.26 0.17 0.00 0.53 0.00 0.00 43.42 44.79 2kh2 n LEU 31 CO 0.60 1.90 0.89 0.00 -1.11 0.00 0.00 177.39 179.67 2kh2 n GLN 32 N 2.24 2.12 -1.77 1.96 1.13 -1.26 -4.69 117.38 117.11 2kh2 n GLN 32 Ca 0.26 -3.21 0.00 0.00 -1.94 0.00 0.00 57.00 52.11 2kh2 n GLN 32 Cb 0.46 -1.99 0.00 0.00 0.11 0.00 0.00 30.24 28.83 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 -1.10 4.51 0.03 1.08 0.00 -1.26 -5.01 105.19 103.44 2kh2 n GLY 33 Ca 0.44 -2.05 0.08 0.00 0.00 0.00 0.00 46.02 44.50 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 0.04 -0.43 1.61 -0.06 -1.26 -2.02 117.38 115.27 2kh2 n GLN 34 Ca 0.00 0.27 0.06 0.00 -2.00 0.00 0.00 57.00 55.33 2kh2 n GLN 34 Cb 0.00 -1.58 0.24 0.00 -4.06 0.00 0.00 30.24 24.84 2kh2 n GLN 34 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 2kh2 n ASP 35 N -1.66 3.40 0.19 1.69 5.75 -1.26 -4.25 116.55 120.41 2kh2 n ASP 35 Ca 0.03 -2.31 0.14 0.00 -0.01 0.00 0.00 54.79 52.64 2kh2 n ASP 35 Cb 0.20 -0.48 0.67 0.00 -1.03 0.00 0.00 41.12 40.47 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 -0.11 0.00 0.00 177.20 177.06 2kh2 h MET 36 N 2.76 0.00 0.00 0.11 4.05 -1.68 -2.47 114.93 117.70 2kh2 h MET 36 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kh2 h MET 36 Cb 1.08 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.88 2kh2 h MET 36 CO 0.17 0.00 0.00 0.39 0.23 0.00 0.00 176.91 177.70 2kh2 n GLU 37 N -2.47 0.68 -0.01 0.39 -0.58 -1.26 -2.50 120.64 114.89 2kh2 n GLU 37 Ca -0.00 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.88 2kh2 n GLU 37 Cb 0.13 -1.43 0.74 0.00 -0.57 0.00 0.00 31.44 30.31 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 -0.93 1.24 -2.06 3.49 6.02 -0.93 -4.87 117.38 119.33 2kh2 n GLN 38 Ca 0.14 -0.35 -0.41 0.00 -0.01 0.00 0.00 57.00 56.37 2kh2 n GLN 38 Cb 0.06 -1.46 -0.02 0.00 1.02 0.00 0.00 30.24 29.84 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 -1.98 4.30 0.06 -1.09 -2.07 -1.04 -4.42 119.66 113.42 2kh2 s GLN 39 Ca 0.41 2.25 -0.26 0.00 -1.82 0.00 0.00 55.36 55.94 2kh2 s GLN 39 Cb 0.20 -3.11 -0.06 0.00 -1.09 0.00 0.00 33.01 28.96 2kh2 s GLN 39 CO 0.33 -0.34 0.81 0.08 -1.32 0.00 0.00 175.29 174.86 2kh2 s VAL 40 N -0.33 4.68 -0.25 3.63 1.01 -0.71 -5.03 120.40 123.40 2kh2 s VAL 40 Ca 0.56 1.74 -0.12 0.00 0.00 0.00 0.00 61.98 64.16 2kh2 s VAL 40 Cb -0.41 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 2kh2 s VAL 40 CO 0.46 0.35 0.21 -0.69 0.00 0.00 0.00 175.10 175.43 2kh2 s VAL 41 N -0.03 5.31 -0.27 2.92 1.01 -1.26 -4.59 120.40 123.50 2kh2 s VAL 41 Ca 0.41 0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.55 2kh2 s VAL 41 Cb -0.21 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2kh2 s VAL 41 CO 0.25 0.29 0.15 -0.36 0.00 0.00 0.00 175.10 175.42 2kh2 s PHE 42 N 1.38 3.18 -0.09 5.22 0.40 0.12 -2.67 117.98 125.51 2kh2 s PHE 42 Ca 0.09 -0.06 -0.29 0.00 -0.60 0.00 0.00 56.93 56.07 2kh2 s PHE 42 Cb -0.15 -2.32 -0.02 0.00 0.51 0.00 0.00 43.02 41.05 2kh2 s PHE 42 CO 0.07 -0.21 0.98 -1.12 0.70 0.00 0.00 175.22 175.64 2kh2 s SER 43 N 1.65 7.23 -0.38 1.36 0.01 -0.62 -2.18 113.70 120.77 2kh2 s SER 43 Ca 0.07 1.51 -0.12 0.00 1.31 0.00 0.00 55.95 58.71 2kh2 s SER 43 Cb -0.16 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.55 2kh2 s SER 43 CO 0.08 -0.41 0.24 -0.04 0.41 0.00 0.00 173.24 173.52 2kh2 s MET 44 N 1.85 2.95 -0.00 12.44 -1.94 0.96 -3.24 119.30 132.31 2kh2 s MET 44 Ca 0.48 -1.01 -0.17 0.00 -1.71 0.00 0.00 55.69 53.28 2kh2 s MET 44 Cb -0.18 -3.81 -0.06 0.00 2.01 0.00 0.00 34.83 32.79 2kh2 s MET 44 CO 0.19 -0.68 0.48 -1.12 -0.01 0.00 0.00 175.02 173.88 2kh2 s SER 45 N 1.61 6.87 -1.31 3.03 0.01 -1.23 -1.85 113.70 120.82 2kh2 s SER 45 Ca 0.03 1.03 -0.17 0.00 1.31 0.00 0.00 55.95 58.15 2kh2 s SER 45 Cb -0.19 -2.30 0.04 0.00 0.21 0.00 0.00 66.02 63.79 2kh2 s SER 45 CO 0.08 0.23 1.89 0.49 0.41 0.00 0.00 173.24 176.34 2kh2 n PHE 46 N 2.23 4.11 -1.38 2.43 3.72 -0.90 -3.24 117.46 124.43 2kh2 n PHE 46 Ca -0.11 -2.73 -0.30 0.00 -0.05 0.00 0.00 57.45 54.26 2kh2 n PHE 46 Cb 0.52 -2.58 0.23 0.00 -0.94 0.00 0.00 39.48 36.70 2kh2 n PHE 46 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2kh2 s VAL 47 N 4.54 1.70 -0.26 -4.37 -7.23 -1.26 -4.80 120.40 108.72 2kh2 s VAL 47 Ca 0.53 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.68 2kh2 s VAL 47 Cb 0.07 -2.67 0.02 0.00 0.56 0.00 0.00 36.38 34.36 2kh2 s VAL 47 CO 0.04 0.00 -0.02 -1.58 -0.31 0.00 0.00 175.10 173.23 2kh2 s GLN 48 N -5.63 2.87 0.00 4.82 2.00 -0.13 -4.91 119.66 118.67 2kh2 s GLN 48 Ca 0.73 -0.97 0.00 0.00 -2.00 0.00 0.00 55.36 53.12 2kh2 s GLN 48 Cb -0.06 -3.09 0.00 0.00 0.80 0.00 0.00 33.01 30.65 2kh2 s GLN 48 CO 0.55 -0.43 0.00 0.41 -0.50 0.00 0.00 175.29 175.32 2kh2 n GLY 49 N 4.71 2.40 3.58 2.59 0.00 -1.26 -4.82 105.19 112.39 2kh2 n GLY 49 Ca -0.16 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 2kh2 n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kh2 s GLU 50 N 0.30 2.93 0.26 1.61 8.01 -1.26 -4.89 118.70 125.66 2kh2 s GLU 50 Ca 0.00 1.47 0.10 0.00 0.01 0.00 0.00 54.97 56.55 2kh2 s GLU 50 Cb 0.00 -4.35 -0.04 0.00 -4.31 0.00 0.00 34.13 25.42 2kh2 s GLU 50 CO 0.00 -2.34 -0.05 -2.00 0.01 0.00 0.00 175.26 170.88 2kh2 s GLU 51 N 6.57 2.15 0.00 1.61 2.12 -1.26 -4.04 118.70 125.85 2kh2 s GLU 51 Ca 0.87 -1.48 0.00 0.00 0.36 0.00 0.00 54.97 54.73 2kh2 s GLU 51 Cb -0.23 -2.08 0.00 0.00 0.26 0.00 0.00 34.13 32.08 2kh2 s GLU 51 CO 0.31 0.36 0.00 -1.13 -0.54 0.00 0.00 175.26 174.26 2kh2 n SER 52 N -0.77 0.00 0.05 -1.70 3.41 -0.29 -4.98 113.62 109.34 2kh2 n SER 52 Ca -0.06 -0.10 0.11 0.00 -0.26 0.00 0.00 58.87 58.56 2kh2 n SER 52 Cb 0.59 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.59 2kh2 n SER 52 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kh2 n ASN 53 N -0.10 0.64 -0.05 4.04 4.05 -1.26 -4.43 115.26 118.15 2kh2 n ASN 53 Ca 0.00 -0.03 -0.07 0.00 0.45 0.00 0.00 54.58 54.93 2kh2 n ASN 53 Cb 0.00 0.63 -0.05 0.00 1.23 0.00 0.00 39.78 41.59 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 2kh2 n ASP 54 N -2.13 3.11 -4.54 1.20 5.75 -1.26 -4.94 116.55 113.75 2kh2 n ASP 54 Ca 0.02 -0.04 -0.39 0.00 -0.01 0.00 0.00 54.79 54.36 2kh2 n ASP 54 Cb 0.46 -0.16 -0.11 0.00 -1.03 0.00 0.00 41.12 40.28 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 -2.20 3.68 -0.21 0.11 2.20 -1.26 -0.81 119.74 121.24 2kh2 s LYS 55 Ca -0.13 -0.51 0.01 0.00 -0.36 0.00 0.00 55.97 54.98 2kh2 s LYS 55 Cb 0.04 -3.68 0.03 0.00 -1.51 0.00 0.00 37.83 32.70 2kh2 s LYS 55 CO 0.23 -0.31 -0.15 0.42 -0.36 0.00 0.00 175.35 175.17 2kh2 s ILE 56 N 1.72 2.27 -0.16 5.43 -1.09 0.18 -1.13 121.20 128.42 2kh2 s ILE 56 Ca 0.06 -1.06 -0.29 0.00 -2.23 0.00 0.00 60.65 57.13 2kh2 s ILE 56 Cb -0.17 -2.07 -0.02 0.00 -1.58 0.00 0.00 42.46 38.63 2kh2 s ILE 56 CO 0.10 0.37 1.29 -2.16 -1.23 0.00 0.00 174.94 173.31 2kh2 s PRO 57 N 1.27 4.23 0.25 2.79 0.04 -1.26 -0.74 135.00 141.58 2kh2 s PRO 57 Ca 0.02 1.70 0.01 0.00 0.04 0.00 0.00 61.00 62.77 2kh2 s PRO 57 Cb -0.15 -3.78 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 2kh2 s PRO 57 CO -0.10 -0.71 0.15 0.14 0.04 0.00 0.00 177.00 176.52 2kh2 s VAL 58 N 3.51 0.20 0.14 -0.36 -7.23 0.04 -4.13 120.40 112.57 2kh2 s VAL 58 Ca 0.56 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.81 2kh2 s VAL 58 Cb -0.22 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 2kh2 s VAL 58 CO 0.16 0.00 -0.10 0.00 -0.31 0.00 0.00 175.10 174.85 2kh2 s ALA 59 N -3.87 2.94 -0.27 1.32 0.00 -1.20 -0.19 121.76 120.49 2kh2 s ALA 59 Ca 0.38 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2kh2 s ALA 59 Cb 0.06 -0.82 0.08 0.00 0.00 0.00 0.00 23.12 22.44 2kh2 s ALA 59 CO 0.15 0.56 0.02 -0.51 0.00 0.00 0.00 175.76 175.98 2kh2 s LEU 60 N -2.47 2.69 0.14 0.00 1.43 -1.26 -3.55 118.68 115.65 2kh2 s LEU 60 Ca 0.23 -1.44 0.05 0.00 -1.03 0.00 0.00 54.13 51.94 2kh2 s LEU 60 Cb -0.10 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 2kh2 s LEU 60 CO 0.14 -0.32 -0.12 -0.83 0.23 0.00 0.00 176.35 175.45 2kh2 s GLY 61 N 1.43 1.07 -0.04 -3.19 0.00 -1.20 -1.66 107.32 103.74 2kh2 s GLY 61 Ca 0.02 -1.40 -0.30 0.00 0.00 0.00 0.00 44.72 43.04 2kh2 s GLY 61 CO -0.12 -1.48 1.18 1.08 0.00 0.00 0.00 173.10 173.76 2kh2 s LEU 62 N -2.84 4.30 0.25 0.66 1.02 0.23 -1.59 118.68 120.70 2kh2 s LEU 62 Ca 0.13 1.82 -0.30 0.00 0.02 0.00 0.00 54.13 55.80 2kh2 s LEU 62 Cb -0.01 -3.56 -0.14 0.00 0.02 0.00 0.00 46.19 42.50 2kh2 s LEU 62 CO 0.02 -0.54 1.22 1.17 0.02 0.00 0.00 176.35 178.23 2kh2 n LYS 63 N 4.92 1.61 -2.15 1.70 4.81 -1.09 -1.85 118.16 126.11 2kh2 n LYS 63 Ca 0.10 0.57 -0.12 0.00 -0.87 0.00 0.00 58.31 57.99 2kh2 n LYS 63 Cb 0.47 -2.09 -0.02 0.00 0.02 0.00 0.00 35.03 33.40 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 1.42 -1.98 -4.24 1.64 0.00 -1.26 -4.93 120.64 111.28 2kh2 n GLU 64 Ca 0.11 0.61 -0.13 0.00 0.00 0.00 0.00 57.16 57.75 2kh2 n GLU 64 Cb 0.30 -5.11 -0.10 0.00 0.00 0.00 0.00 31.44 26.53 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 -4.48 1.21 -0.14 3.44 1.02 -0.77 -5.04 119.74 114.98 2kh2 s LYS 65 Ca 0.00 -1.63 0.16 0.00 0.02 0.00 0.00 55.97 54.52 2kh2 s LYS 65 Cb 0.00 -0.02 0.65 0.00 -0.52 0.00 0.00 37.83 37.95 2kh2 s LYS 65 CO 0.00 -0.29 1.57 0.27 -0.92 0.00 0.00 175.35 175.98 2kh2 n ASN 66 N -0.30 4.56 -4.58 2.83 6.94 -1.26 -4.68 115.26 118.77 2kh2 n ASN 66 Ca -0.01 -2.60 -0.41 0.00 -0.02 0.00 0.00 54.58 51.53 2kh2 n ASN 66 Cb 0.65 -0.55 -0.07 0.00 -2.36 0.00 0.00 39.78 37.45 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 -2.12 4.23 0.10 -4.53 1.43 -1.26 -1.50 118.68 115.03 2kh2 s LEU 67 Ca 0.47 0.20 0.09 0.00 -1.03 0.00 0.00 54.13 53.86 2kh2 s LEU 67 Cb 0.32 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 2kh2 s LEU 67 CO 0.19 -0.46 -0.24 -0.31 0.23 0.00 0.00 176.35 175.75 2kh2 s TYR 68 N 2.48 2.08 -0.11 0.29 1.51 -0.29 -0.60 117.35 122.71 2kh2 s TYR 68 Ca 0.21 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.58 2kh2 s TYR 68 Cb -0.15 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.50 2kh2 s TYR 68 CO 0.13 0.23 1.51 -0.51 -1.11 0.00 0.00 175.55 175.79 2kh2 s LEU 69 N -1.75 4.24 -0.10 -1.29 1.43 -0.66 -0.53 118.68 120.02 2kh2 s LEU 69 Ca 0.10 1.99 0.02 0.00 -1.03 0.00 0.00 54.13 55.21 2kh2 s LEU 69 Cb -0.10 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 2kh2 s LEU 69 CO 0.04 -0.89 -0.16 -0.55 0.23 0.00 0.00 176.35 175.02 2kh2 s SER 70 N 2.91 3.81 -0.38 2.29 0.15 0.85 -4.48 113.70 118.85 2kh2 s SER 70 Ca 0.66 -0.34 -0.11 0.00 0.70 0.00 0.00 55.95 56.86 2kh2 s SER 70 Cb -0.28 -1.32 0.03 0.00 -1.71 0.00 0.00 66.02 62.73 2kh2 s SER 70 CO 0.24 0.22 0.22 0.00 1.20 0.00 0.00 173.24 175.12 2kh2 s VAL 72 N 1.56 0.55 -0.27 0.00 -7.23 -0.64 -4.69 120.40 109.68 2kh2 s VAL 72 Ca 0.02 -1.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.06 2kh2 s VAL 72 Cb -0.20 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 2kh2 s VAL 72 CO 0.07 -0.20 0.34 -0.76 -0.31 0.00 0.00 175.10 174.24 2kh2 s LEU 73 N -3.24 4.04 -0.07 1.32 1.43 -1.26 0.37 118.68 121.27 2kh2 s LEU 73 Ca 0.32 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.68 2kh2 s LEU 73 Cb 0.07 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 43.93 2kh2 s LEU 73 CO 0.09 -0.15 -0.09 -0.54 0.23 0.00 0.00 176.35 175.88 2kh2 s LYS 74 N 1.97 1.46 -1.28 1.70 1.02 0.10 -4.76 119.74 119.95 2kh2 s LYS 74 Ca 0.14 -0.31 -0.03 0.00 0.02 0.00 0.00 55.97 55.79 2kh2 s LYS 74 Cb -0.16 -1.32 0.01 0.00 -0.52 0.00 0.00 37.83 35.85 2kh2 s LYS 74 CO 0.10 -0.06 0.96 -3.47 -0.92 0.00 0.00 175.35 171.96 2kh2 n ASP 75 N 4.12 -2.89 -3.86 2.83 -0.08 -1.26 -2.22 116.55 113.19 2kh2 n ASP 75 Ca -0.21 -0.67 -0.30 0.00 -1.51 0.00 0.00 54.79 52.11 2kh2 n ASP 75 Cb 0.51 -4.75 0.02 0.00 2.34 0.00 0.00 41.12 39.23 2kh2 n ASP 75 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kh2 n ASP 76 N -3.07 -4.61 -3.68 1.67 2.03 -1.26 -4.98 116.55 102.66 2kh2 n ASP 76 Ca -0.21 -0.74 -0.10 0.00 0.52 0.00 0.00 54.79 54.26 2kh2 n ASP 76 Cb 0.64 -3.70 -0.09 0.00 -0.72 0.00 0.00 41.12 37.25 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2kh2 s LYS 77 N -6.56 0.54 -0.01 -0.67 2.47 -0.94 -5.12 119.74 109.44 2kh2 s LYS 77 Ca 0.64 0.89 -0.30 0.00 -1.56 0.00 0.00 55.97 55.65 2kh2 s LYS 77 Cb -0.32 0.11 -0.08 0.00 -1.46 0.00 0.00 37.83 36.08 2kh2 s LYS 77 CO 0.79 -0.13 1.98 -2.14 0.16 0.00 0.00 175.35 176.00 2kh2 s PRO 78 N 1.15 3.98 0.07 4.03 0.02 -1.26 -0.72 135.00 142.26 2kh2 s PRO 78 Ca -0.07 2.47 0.06 0.00 0.02 0.00 0.00 61.00 63.49 2kh2 s PRO 78 Cb -0.06 -4.18 -0.03 0.00 0.02 0.00 0.00 34.50 30.25 2kh2 s PRO 78 CO -0.11 -1.13 -0.17 0.99 -0.33 0.00 0.00 177.00 176.25 2kh2 s THR 79 N 5.03 1.39 0.02 0.99 2.01 0.16 -4.71 115.64 120.53 2kh2 s THR 79 Ca 0.89 -1.26 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 2kh2 s THR 79 Cb -0.40 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 2kh2 s THR 79 CO 0.39 -0.03 0.30 -0.22 -0.69 0.00 0.00 174.62 174.38 2kh2 s LEU 80 N -1.50 4.37 0.31 4.42 2.96 -1.26 -1.63 118.68 126.36 2kh2 s LEU 80 Ca 0.03 0.64 -0.13 0.00 -0.22 0.00 0.00 54.13 54.45 2kh2 s LEU 80 Cb -0.09 -2.70 0.02 0.00 0.50 0.00 0.00 46.19 43.91 2kh2 s LEU 80 CO 0.02 0.25 0.62 0.00 -1.32 0.00 0.00 176.35 175.92 2kh2 s GLN 81 N -1.70 1.87 -0.29 1.98 -2.07 -0.27 -4.93 119.66 114.25 2kh2 s GLN 81 Ca 0.28 -1.34 -0.08 0.00 -1.82 0.00 0.00 55.36 52.39 2kh2 s GLN 81 Cb -0.14 0.54 -0.01 0.00 -1.09 0.00 0.00 33.01 32.31 2kh2 s GLN 81 CO 0.16 -0.83 0.11 -0.51 -1.32 0.00 0.00 175.29 172.90 2kh2 s LEU 82 N -3.05 3.82 -0.15 2.60 2.01 -1.26 -0.10 118.68 122.55 2kh2 s LEU 82 Ca 0.19 -0.44 -0.05 0.00 0.01 0.00 0.00 54.13 53.85 2kh2 s LEU 82 Cb -0.03 -1.95 -0.03 0.00 0.01 0.00 0.00 46.19 44.18 2kh2 s LEU 82 CO 0.11 -0.13 0.02 -0.70 1.01 0.00 0.00 176.35 176.66 2kh2 s GLU 83 N 1.59 3.61 -0.49 1.70 2.12 0.31 -4.88 118.70 122.66 2kh2 s GLU 83 Ca 0.05 -0.41 -0.21 0.00 0.36 0.00 0.00 54.97 54.76 2kh2 s GLU 83 Cb -0.16 -3.01 0.04 0.00 0.26 0.00 0.00 34.13 31.26 2kh2 s GLU 83 CO 0.05 0.39 0.69 -1.12 -0.54 0.00 0.00 175.26 174.72 2kh2 s SER 84 N -0.00 6.28 0.44 -1.70 0.01 -1.26 -1.14 113.70 116.32 2kh2 s SER 84 Ca 0.04 -0.61 0.08 0.00 1.31 0.00 0.00 55.95 56.76 2kh2 s SER 84 Cb -0.13 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2kh2 s SER 84 CO 0.02 -0.91 0.49 0.68 0.41 0.00 0.00 173.24 173.92 2kh2 s VAL 85 N 2.93 2.66 -0.02 3.43 -7.23 -0.56 -5.02 120.40 116.58 2kh2 s VAL 85 Ca 0.20 -1.20 -0.34 0.00 -1.81 0.00 0.00 61.98 58.83 2kh2 s VAL 85 Cb -0.16 -2.86 -0.13 0.00 0.56 0.00 0.00 36.38 33.79 2kh2 s VAL 85 CO 0.16 0.00 1.77 -0.67 -0.31 0.00 0.00 175.10 176.05 2kh2 n ASP 86 N -1.73 3.24 0.11 4.85 2.03 -1.26 -4.82 116.55 118.96 2kh2 n ASP 86 Ca 0.06 1.01 0.11 0.00 0.52 0.00 0.00 54.79 56.50 2kh2 n ASP 86 Cb 0.61 -1.37 0.47 0.00 -0.72 0.00 0.00 41.12 40.11 2kh2 n ASP 86 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2kh2 n PRO 87 N 5.52 0.17 -0.00 -0.67 -0.04 -1.26 -2.54 135.00 136.18 2kh2 n PRO 87 Ca 0.21 0.40 0.04 0.00 -0.04 0.00 0.00 63.50 64.11 2kh2 n PRO 87 Cb 0.28 -1.82 -0.06 0.00 -0.04 0.00 0.00 33.50 31.86 2kh2 n PRO 87 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2kh2 n LYS 88 N -2.14 2.52 -0.10 0.54 2.85 -1.26 -4.48 118.16 116.08 2kh2 n LYS 88 Ca 0.02 -0.03 0.11 0.00 -1.05 0.00 0.00 58.31 57.36 2kh2 n LYS 88 Cb 0.23 -1.04 0.15 0.00 -0.65 0.00 0.00 35.03 33.72 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 -1.46 3.09 -4.11 -5.58 3.02 -1.17 -4.93 115.26 104.12 2kh2 n ASN 89 Ca 0.00 -1.92 -0.18 0.00 -0.03 0.00 0.00 54.58 52.45 2kh2 n ASN 89 Cb 0.18 -0.14 -0.13 0.00 -0.61 0.00 0.00 39.78 39.08 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 -1.53 1.02 0.00 3.10 1.51 -1.05 -4.59 117.35 115.80 2kh2 s TYR 90 Ca 0.31 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 2kh2 s TYR 90 Cb 0.19 -0.60 0.00 0.00 -0.11 0.00 0.00 41.96 41.44 2kh2 s TYR 90 CO 0.28 0.01 0.00 -0.35 -1.11 0.00 0.00 175.55 174.37 2kh2 n PRO 91 N 1.89 0.56 -3.87 -1.71 -0.04 -1.26 -4.85 135.00 125.72 2kh2 n PRO 91 Ca -0.19 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.19 2kh2 n PRO 91 Cb 0.55 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.97 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 -2.27 1.59 0.02 0.54 0.00 -1.26 -5.07 119.74 113.29 2kh2 s LYS 92 Ca 0.00 -1.04 -0.21 0.00 0.00 0.00 0.00 55.97 54.72 2kh2 s LYS 92 Cb 0.00 0.54 -0.17 0.00 0.00 0.00 0.00 37.83 38.20 2kh2 s LYS 92 CO 0.00 -0.69 1.28 -0.22 0.00 0.00 0.00 175.35 175.72 2kh2 h LYS 93 N 2.14 0.33 -4.26 1.78 3.64 -1.97 -3.37 116.57 114.86 2kh2 h LYS 93 Ca -0.24 -0.20 -0.75 0.00 -1.27 0.00 0.00 60.65 58.18 2kh2 h LYS 93 Cb 1.25 0.02 -0.23 0.00 -0.41 0.00 0.00 32.23 32.87 2kh2 h LYS 93 CO 0.31 0.79 0.52 0.21 -2.27 0.00 0.00 179.45 179.01 2kh2 s LYS 94 N -4.04 3.75 0.76 1.90 2.47 -1.26 -0.96 119.74 122.36 2kh2 s LYS 94 Ca -0.14 -2.38 -0.07 0.00 -1.56 0.00 0.00 55.97 51.82 2kh2 s LYS 94 Cb 0.04 -4.67 0.11 0.00 -1.46 0.00 0.00 37.83 31.85 2kh2 s LYS 94 CO 0.76 -1.48 1.07 -1.64 0.16 0.00 0.00 175.35 174.21 2kh2 s MET 95 N 0.88 1.71 0.48 4.03 -1.94 -1.26 -5.05 119.30 118.15 2kh2 s MET 95 Ca 0.27 -0.56 -0.21 0.00 -1.71 0.00 0.00 55.69 53.48 2kh2 s MET 95 Cb -0.08 -2.16 -0.08 0.00 2.01 0.00 0.00 34.83 34.53 2kh2 s MET 95 CO -0.08 -1.54 1.08 -1.21 -0.01 0.00 0.00 175.02 173.26 2kh2 s GLU 96 N -5.34 3.73 0.60 2.03 8.01 -1.26 -4.91 118.70 121.56 2kh2 s GLU 96 Ca 0.65 1.49 0.31 0.00 0.01 0.00 0.00 54.97 57.43 2kh2 s GLU 96 Cb -0.08 -2.17 1.84 0.00 -4.31 0.00 0.00 34.13 29.41 2kh2 s GLU 96 CO 0.46 -0.51 2.24 -0.22 0.01 0.00 0.00 175.26 177.24 2kh2 h LYS 97 N 1.66 0.00 0.00 1.61 3.64 -1.97 0.60 116.57 122.11 2kh2 h LYS 97 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2kh2 h LYS 97 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2kh2 h LYS 97 CO 0.59 0.00 0.00 2.89 -2.27 0.00 0.00 179.45 180.66 2kh2 n ARG 98 N -3.77 0.02 0.00 1.90 1.85 -1.26 -3.17 116.66 112.22 2kh2 n ARG 98 Ca -0.02 0.01 0.05 0.00 -1.00 0.00 0.00 57.85 56.89 2kh2 n ARG 98 Cb 0.13 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.07 2kh2 n ARG 98 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2kh2 n PHE 99 N -1.49 0.00 -3.59 2.89 3.72 0.17 -1.06 117.46 118.10 2kh2 n PHE 99 Ca 0.07 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.10 2kh2 n PHE 99 Cb 0.33 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.77 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 -0.93 5.31 0.02 -4.37 1.01 -1.02 -4.19 120.40 116.24 2kh2 s VAL 100 Ca 0.11 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.38 2kh2 s VAL 100 Cb 0.08 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2kh2 s VAL 100 CO 0.15 0.29 -0.01 -0.36 0.00 0.00 0.00 175.10 175.16 2kh2 s PHE 101 N 1.37 3.01 -0.72 5.22 0.08 0.74 -2.67 117.98 125.02 2kh2 s PHE 101 Ca 0.09 0.03 -0.16 0.00 0.12 0.00 0.00 56.93 57.00 2kh2 s PHE 101 Cb -0.15 -1.62 0.16 0.00 -0.57 0.00 0.00 43.02 40.84 2kh2 s PHE 101 CO 0.07 0.45 0.73 -0.80 -0.10 0.00 0.00 175.22 175.57 2kh2 s ASN 102 N -1.73 6.47 -0.76 1.36 0.02 0.23 -0.78 114.94 119.76 2kh2 s ASN 102 Ca 0.21 -2.10 -0.27 0.00 -1.02 0.00 0.00 52.86 49.68 2kh2 s ASN 102 Cb -0.11 -2.26 0.03 0.00 0.02 0.00 0.00 41.25 38.93 2kh2 s ASN 102 CO 0.12 -0.83 1.31 -0.75 0.02 0.00 0.00 177.10 176.96 2kh2 s LYS 103 N 1.42 3.20 0.10 -0.60 2.20 0.08 -1.49 119.74 124.65 2kh2 s LYS 103 Ca 0.15 -0.28 -0.11 0.00 -0.36 0.00 0.00 55.97 55.36 2kh2 s LYS 103 Cb -0.18 -4.27 -0.06 0.00 -1.51 0.00 0.00 37.83 31.82 2kh2 s LYS 103 CO -0.03 -2.17 0.44 0.42 -0.36 0.00 0.00 175.35 173.66 2kh2 s ILE 104 N 5.77 5.02 -0.51 5.43 1.01 0.42 -0.65 121.20 137.69 2kh2 s ILE 104 Ca 0.37 0.58 0.03 0.00 0.00 0.00 0.00 60.65 61.62 2kh2 s ILE 104 Cb -0.08 -3.67 0.15 0.00 0.01 0.00 0.00 42.46 38.87 2kh2 s ILE 104 CO 0.13 0.28 0.33 -1.61 0.00 0.00 0.00 174.94 174.08 2kh2 s GLU 105 N -1.90 1.58 0.26 2.79 2.02 0.01 0.14 118.70 123.61 2kh2 s GLU 105 Ca 0.34 -2.45 -0.03 0.00 0.02 0.00 0.00 54.97 52.85 2kh2 s GLU 105 Cb -0.14 -2.51 0.38 0.00 0.10 0.00 0.00 34.13 31.96 2kh2 s GLU 105 CO 0.18 -1.24 1.88 -0.84 0.02 0.00 0.00 175.26 175.27 2kh2 h ILE 106 N 4.89 1.10 0.00 -1.63 3.07 -1.84 -3.46 117.51 119.64 2kh2 h ILE 106 Ca 0.09 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 66.09 2kh2 h ILE 106 Cb 0.87 -0.18 0.00 0.00 -0.27 0.00 0.00 36.82 37.24 2kh2 h ILE 106 CO 0.54 0.22 0.00 -0.46 -1.05 0.00 0.00 178.15 177.39 2kh2 n ASN 107 N -4.50 0.00 -0.07 2.16 0.23 -1.26 -4.98 115.26 106.84 2kh2 n ASN 107 Ca 0.15 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.29 2kh2 n ASN 107 Cb 0.16 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.77 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 1.05 -4.55 0.53 2.85 -1.26 -4.92 115.26 108.96 2kh2 n ASN 108 Ca 0.00 -1.02 -0.30 0.00 -0.11 0.00 0.00 54.58 53.14 2kh2 n ASN 108 Cb 0.00 0.92 -0.11 0.00 1.24 0.00 0.00 39.78 41.83 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2kh2 s LYS 109 N -2.70 2.20 0.11 1.20 -0.14 -1.26 -4.74 119.74 114.42 2kh2 s LYS 109 Ca 0.09 -0.95 0.10 0.00 -1.36 0.00 0.00 55.97 53.84 2kh2 s LYS 109 Cb 0.15 -2.32 -0.04 0.00 -1.68 0.00 0.00 37.83 33.94 2kh2 s LYS 109 CO 0.73 0.54 -0.22 -0.48 -0.76 0.00 0.00 175.35 175.16 2kh2 s LEU 110 N -1.86 2.52 0.11 3.17 2.34 0.08 -3.14 118.68 121.90 2kh2 s LEU 110 Ca 0.19 -0.63 0.08 0.00 0.06 0.00 0.00 54.13 53.83 2kh2 s LEU 110 Cb -0.11 -1.40 -0.04 0.00 -0.56 0.00 0.00 46.19 44.08 2kh2 s LEU 110 CO 0.10 0.19 -0.15 -1.61 -1.06 0.00 0.00 176.35 173.82 2kh2 s GLU 111 N -2.02 1.92 -0.38 1.48 2.02 0.12 0.29 118.70 122.13 2kh2 s GLU 111 Ca 0.16 -1.12 0.03 0.00 0.02 0.00 0.00 54.97 54.06 2kh2 s GLU 111 Cb -0.10 -2.19 0.11 0.00 0.10 0.00 0.00 34.13 32.05 2kh2 s GLU 111 CO 0.08 0.49 0.11 -0.06 0.02 0.00 0.00 175.26 175.90 2kh2 s PHE 112 N -1.17 3.65 0.06 1.61 0.08 -1.26 -0.43 117.98 120.51 2kh2 s PHE 112 Ca 0.19 -2.96 -0.10 0.00 0.12 0.00 0.00 56.93 54.18 2kh2 s PHE 112 Cb -0.11 -2.96 -0.06 0.00 -0.57 0.00 0.00 43.02 39.33 2kh2 s PHE 112 CO 0.12 -0.92 0.38 -2.00 -0.10 0.00 0.00 175.22 172.70 2kh2 s GLU 113 N 0.72 3.75 -0.07 0.44 2.12 -0.55 -1.31 118.70 123.80 2kh2 s GLU 113 Ca 0.12 0.17 -0.27 0.00 0.36 0.00 0.00 54.97 55.34 2kh2 s GLU 113 Cb -0.21 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 2kh2 s GLU 113 CO -0.06 0.59 0.88 0.45 -0.54 0.00 0.00 175.26 176.58 2kh2 s SER 114 N -1.67 7.17 0.21 -1.70 0.15 0.33 0.74 113.70 118.94 2kh2 s SER 114 Ca 0.31 1.43 -0.04 0.00 0.70 0.00 0.00 55.95 58.35 2kh2 s SER 114 Cb -0.14 -2.50 0.16 0.00 -1.71 0.00 0.00 66.02 61.83 2kh2 s SER 114 CO 0.17 -0.28 1.58 0.00 1.20 0.00 0.00 173.24 175.92 2kh2 h ALA 115 N 6.93 0.81 -0.71 5.45 0.00 -1.74 -2.92 119.26 127.09 2kh2 h ALA 115 Ca -0.37 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.08 2kh2 h ALA 115 Cb 1.19 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2kh2 h ALA 115 CO 0.78 0.64 0.28 0.37 0.00 0.00 0.00 179.25 181.33 2kh2 h GLN 116 N 0.59 1.04 -3.48 0.00 5.75 -1.76 -3.38 115.11 113.87 2kh2 h GLN 116 Ca 0.06 -0.17 -0.60 0.00 -0.15 0.00 0.00 58.65 57.78 2kh2 h GLN 116 Cb 0.86 -0.18 -0.40 0.00 1.07 0.00 0.00 27.48 28.84 2kh2 h GLN 116 CO 0.07 0.84 -0.74 -0.06 -2.65 0.00 0.00 178.83 176.30 2kh2 s PHE 117 N -5.48 2.10 0.50 3.99 0.08 -1.11 -5.07 117.98 112.99 2kh2 s PHE 117 Ca -0.11 -2.19 -0.23 0.00 0.12 0.00 0.00 56.93 54.52 2kh2 s PHE 117 Cb 0.16 -1.96 -0.07 0.00 -0.57 0.00 0.00 43.02 40.59 2kh2 s PHE 117 CO 0.82 -0.85 1.37 -2.14 -0.10 0.00 0.00 175.22 174.32 2kh2 s PRO 118 N 1.01 3.43 0.00 0.24 0.02 -1.19 -2.36 135.00 136.15 2kh2 s PRO 118 Ca 0.13 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.43 2kh2 s PRO 118 Cb -0.20 -2.45 0.00 0.00 0.02 0.00 0.00 34.50 31.86 2kh2 s PRO 118 CO -0.13 -0.97 0.00 0.09 -0.33 0.00 0.00 177.00 175.66 2kh2 n ASN 119 N -0.60 0.00 -4.40 2.53 5.03 -1.26 -5.00 115.26 111.56 2kh2 n ASN 119 Ca 0.08 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.16 2kh2 n ASN 119 Cb 0.44 -0.03 -0.13 0.00 -1.02 0.00 0.00 39.78 39.04 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2kh2 s TRP 120 N -3.80 3.07 0.21 3.10 0.52 -0.99 -4.46 118.94 116.59 2kh2 s TRP 120 Ca 0.00 -0.63 0.10 0.00 0.02 0.00 0.00 56.10 55.58 2kh2 s TRP 120 Cb 0.00 -2.22 -0.04 0.00 -1.15 0.00 0.00 33.47 30.06 2kh2 s TRP 120 CO 0.00 -0.44 -0.11 0.71 0.02 0.00 0.00 176.95 177.13 2kh2 s TYR 121 N 1.57 2.55 -0.06 -1.98 1.51 0.34 -0.51 117.35 120.76 2kh2 s TYR 121 Ca 0.06 -0.26 -0.30 0.00 -1.01 0.00 0.00 57.07 55.56 2kh2 s TYR 121 Cb -0.15 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 2kh2 s TYR 121 CO 0.02 0.56 1.46 0.42 -1.11 0.00 0.00 175.55 176.91 2kh2 s ILE 122 N -1.95 3.81 0.21 2.71 1.01 -0.43 -0.44 121.20 126.12 2kh2 s ILE 122 Ca 0.26 1.06 0.10 0.00 0.00 0.00 0.00 60.65 62.08 2kh2 s ILE 122 Cb -0.08 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 2kh2 s ILE 122 CO 0.15 -0.06 -0.21 -0.44 0.00 0.00 0.00 174.94 174.38 2kh2 s SER 123 N 2.47 3.20 0.01 3.58 0.01 -0.10 -4.60 113.70 118.27 2kh2 s SER 123 Ca 0.65 -0.91 0.02 0.00 1.31 0.00 0.00 55.95 57.02 2kh2 s SER 123 Cb -0.30 -0.23 -0.01 0.00 0.21 0.00 0.00 66.02 65.69 2kh2 s SER 123 CO 0.24 0.04 -0.07 0.42 0.41 0.00 0.00 173.24 174.28 2kh2 s THR 124 N -2.06 0.54 0.73 1.44 -4.23 -0.92 -2.91 115.64 108.22 2kh2 s THR 124 Ca 0.22 -0.56 -0.12 0.00 -1.18 0.00 0.00 61.69 60.05 2kh2 s THR 124 Cb -0.06 -0.51 0.03 0.00 1.34 0.00 0.00 72.50 73.30 2kh2 s THR 124 CO 0.10 -0.03 1.11 -0.44 -0.54 0.00 0.00 174.62 174.81 2kh2 s SER 125 N -0.65 5.25 0.36 3.99 0.01 -1.26 -0.06 113.70 121.34 2kh2 s SER 125 Ca -0.01 1.11 0.19 0.00 1.31 0.00 0.00 55.95 58.55 2kh2 s SER 125 Cb -0.05 -1.87 0.42 0.00 0.21 0.00 0.00 66.02 64.73 2kh2 s SER 125 CO 0.00 -1.47 1.61 1.56 0.41 0.00 0.00 173.24 175.35 2kh2 h GLN 126 N -0.74 0.00 -7.20 12.44 1.08 -1.97 -3.45 115.11 115.26 2kh2 h GLN 126 Ca -0.45 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.24 2kh2 h GLN 126 Cb 1.26 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 28.78 2kh2 h GLN 126 CO 0.64 0.34 0.38 0.00 -0.95 0.00 0.00 178.83 179.23 2kh2 s ALA 127 N -3.26 2.58 0.30 3.87 0.00 -1.26 -5.03 121.76 118.96 2kh2 s ALA 127 Ca 0.03 0.48 -0.15 0.00 0.00 0.00 0.00 51.96 52.32 2kh2 s ALA 127 Cb 0.08 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 2kh2 s ALA 127 CO 0.69 -1.10 0.71 -2.00 0.00 0.00 0.00 175.76 174.07 2kh2 s GLU 128 N -4.11 4.01 -0.99 0.00 2.56 -1.26 -4.06 118.70 114.84 2kh2 s GLU 128 Ca 0.65 0.65 0.00 0.00 0.00 0.00 0.00 54.97 56.27 2kh2 s GLU 128 Cb -0.19 -2.50 0.00 0.00 2.00 0.00 0.00 34.13 33.44 2kh2 s GLU 128 CO 0.40 0.20 0.00 -1.71 -0.56 0.00 0.00 175.26 173.59 2kh2 n ASN 129 N -0.22 -3.75 -4.82 -1.70 5.15 -1.21 -5.01 115.26 103.70 2kh2 n ASN 129 Ca 0.03 0.05 -0.38 0.00 -0.60 0.00 0.00 54.58 53.67 2kh2 n ASN 129 Cb 0.53 -2.83 -0.06 0.00 -0.53 0.00 0.00 39.78 36.89 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 -4.22 3.98 1.10 1.20 -1.94 -1.23 -4.87 119.30 113.31 2kh2 s MET 130 Ca 0.00 0.39 -0.16 0.00 -1.71 0.00 0.00 55.69 54.21 2kh2 s MET 130 Cb 0.00 -3.26 0.24 0.00 2.01 0.00 0.00 34.83 33.82 2kh2 s MET 130 CO 0.00 0.61 1.11 -2.14 -0.01 0.00 0.00 175.02 174.59 2kh2 s PRO 131 N -0.80 -0.36 -0.13 2.03 0.02 -1.26 -0.80 135.00 133.70 2kh2 s PRO 131 Ca 0.23 0.20 -0.12 0.00 0.02 0.00 0.00 61.00 61.33 2kh2 s PRO 131 Cb -0.16 -1.67 -0.05 0.00 0.02 0.00 0.00 34.50 32.64 2kh2 s PRO 131 CO 0.12 -3.19 0.27 0.08 -0.33 0.00 0.00 177.00 173.96 2kh2 s VAL 132 N -3.02 5.30 0.26 3.83 1.01 -0.63 -4.65 120.40 122.50 2kh2 s VAL 132 Ca 0.68 0.51 -0.03 0.00 0.00 0.00 0.00 61.98 63.14 2kh2 s VAL 132 Cb -0.14 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 2kh2 s VAL 132 CO 0.57 0.47 0.31 0.72 0.00 0.00 0.00 175.10 177.17 2kh2 s PHE 133 N -0.12 1.04 -0.21 5.22 -0.12 -1.15 -4.88 117.98 117.77 2kh2 s PHE 133 Ca 0.17 -1.25 -0.12 0.00 -0.05 0.00 0.00 56.93 55.68 2kh2 s PHE 133 Cb -0.13 -0.30 -0.05 0.00 -0.63 0.00 0.00 43.02 41.91 2kh2 s PHE 133 CO 0.05 -0.87 0.21 -1.17 -0.05 0.00 0.00 175.22 173.40 2kh2 s LEU 134 N -3.18 4.17 0.10 -1.99 2.96 -1.26 -0.92 118.68 118.56 2kh2 s LEU 134 Ca 0.33 0.28 0.09 0.00 -0.22 0.00 0.00 54.13 54.61 2kh2 s LEU 134 Cb 0.03 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 2kh2 s LEU 134 CO 0.16 0.08 -0.22 -0.83 -1.32 0.00 0.00 176.35 174.22 2kh2 s GLY 135 N 0.77 1.28 0.00 7.98 0.00 0.41 -4.88 107.32 112.88 2kh2 s GLY 135 Ca 0.11 -1.27 0.12 0.00 0.00 0.00 0.00 44.72 43.68 2kh2 s GLY 135 CO 0.03 -1.27 1.23 0.61 0.00 0.00 0.00 173.10 173.70 2kh2 n GLY 136 N 1.07 2.38 3.33 0.20 0.00 -1.26 -0.51 105.19 110.41 2kh2 n GLY 136 Ca -0.19 -0.40 -0.45 0.00 0.00 0.00 0.00 46.02 44.97 2kh2 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kh2 s THR 137 N -1.00 5.87 -0.17 2.61 2.01 -1.26 -4.91 115.64 118.78 2kh2 s THR 137 Ca 0.24 -3.19 -0.29 0.00 0.31 0.00 0.00 61.69 58.76 2kh2 s THR 137 Cb 0.13 -4.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.08 2kh2 s THR 137 CO 0.17 -1.14 1.25 -0.75 -0.69 0.00 0.00 174.62 173.46 2kh2 s LYS 138 N -0.90 4.23 0.00 4.92 2.20 -1.26 -2.92 119.74 126.01 2kh2 s LYS 138 Ca 0.27 1.64 0.00 0.00 -0.36 0.00 0.00 55.97 57.52 2kh2 s LYS 138 Cb -0.10 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 2kh2 s LYS 138 CO -0.08 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 174.61 2kh2 n GLY 139 N 3.60 0.38 0.00 5.54 0.00 -1.26 -5.03 105.19 108.43 2kh2 n GLY 139 Ca 0.14 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2kh2 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 140 N -2.32 0.56 0.09 -0.02 0.00 -1.15 -5.02 105.19 97.33 2kh2 n GLY 140 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 0.01 -7.04 1.61 7.50 -1.96 -3.47 115.11 111.76 2kh2 h GLN 141 Ca 0.00 -0.02 -0.49 0.00 0.50 0.00 0.00 58.65 58.64 2kh2 h GLN 141 Cb 0.00 0.01 0.04 0.00 0.05 0.00 0.00 27.48 27.58 2kh2 h GLN 141 CO 0.00 1.01 0.42 -0.51 -1.50 0.00 0.00 178.83 178.25 2kh2 s ASP 142 N -6.61 6.26 -0.07 1.46 1.01 -1.26 -4.66 116.67 112.80 2kh2 s ASP 142 Ca -0.24 2.07 -0.30 0.00 0.71 0.00 0.00 52.55 54.79 2kh2 s ASP 142 Cb 0.02 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 2kh2 s ASP 142 CO 0.64 -0.84 1.26 -0.63 0.21 0.00 0.00 175.17 175.81 2kh2 s ILE 143 N -1.79 4.13 -0.62 0.77 1.01 0.92 -4.65 121.20 120.97 2kh2 s ILE 143 Ca 0.66 1.45 0.09 0.00 0.00 0.00 0.00 60.65 62.85 2kh2 s ILE 143 Cb -0.21 -3.94 0.26 0.00 0.01 0.00 0.00 42.46 38.58 2kh2 s ILE 143 CO 0.26 -0.03 1.21 0.35 0.00 0.00 0.00 174.94 176.73 2kh2 n THR 144 N 4.79 1.16 -4.41 2.92 -2.24 -1.26 -2.17 114.28 113.06 2kh2 n THR 144 Ca 0.12 -1.13 -0.24 0.00 -2.27 0.00 0.00 64.05 60.54 2kh2 n THR 144 Cb 0.45 0.40 -0.13 0.00 -2.10 0.00 0.00 70.33 68.95 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 -1.15 2.34 0.29 3.42 -4.77 -1.26 -4.47 116.67 111.06 2kh2 s ASP 145 Ca 0.20 -0.60 0.02 0.00 -3.30 0.00 0.00 52.55 48.88 2kh2 s ASP 145 Cb 0.12 -0.15 -0.04 0.00 -1.09 0.00 0.00 42.92 41.76 2kh2 s ASP 145 CO 0.11 0.08 0.12 -0.36 0.70 0.00 0.00 175.17 175.83 2kh2 s PHE 146 N -1.00 1.60 0.25 2.11 0.08 0.15 -3.62 117.98 117.54 2kh2 s PHE 146 Ca 0.06 -1.26 0.10 0.00 0.12 0.00 0.00 56.93 55.95 2kh2 s PHE 146 Cb -0.09 -0.91 -0.05 0.00 -0.57 0.00 0.00 43.02 41.40 2kh2 s PHE 146 CO 0.03 -0.40 -0.11 0.95 -0.10 0.00 0.00 175.22 175.59 2kh2 s THR 147 N -3.63 2.99 -0.35 0.64 -4.23 0.16 -0.74 115.64 110.48 2kh2 s THR 147 Ca 0.36 -2.03 -0.12 0.00 -1.18 0.00 0.00 61.69 58.72 2kh2 s THR 147 Cb 0.06 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.35 2kh2 s THR 147 CO 0.15 -0.31 0.21 -0.32 -0.54 0.00 0.00 174.62 173.82 2kh2 s MET 148 N -3.37 3.21 -0.68 3.99 1.75 -1.26 -3.76 119.30 119.18 2kh2 s MET 148 Ca 0.29 -0.83 0.04 0.00 -1.25 0.00 0.00 55.69 53.94 2kh2 s MET 148 Cb -0.07 -3.73 0.17 0.00 2.84 0.00 0.00 34.83 34.04 2kh2 s MET 148 CO 0.17 -0.54 0.47 -0.65 -0.65 0.00 0.00 175.02 173.82 2kh2 s GLN 149 N 1.64 2.46 0.13 4.11 1.11 -0.91 -5.00 119.66 123.19 2kh2 s GLN 149 Ca 0.04 -3.16 -0.31 0.00 0.01 0.00 0.00 55.36 51.94 2kh2 s GLN 149 Cb -0.18 -3.47 -0.09 0.00 -1.01 0.00 0.00 33.01 28.26 2kh2 s GLN 149 CO 0.08 -1.24 1.46 -0.06 0.01 0.00 0.00 175.29 175.54 2kh2 s PHE 150 N -1.16 3.14 0.55 0.91 0.08 -1.26 -0.35 117.98 119.89 2kh2 s PHE 150 Ca 0.23 0.82 0.09 0.00 0.12 0.00 0.00 56.93 58.19 2kh2 s PHE 150 Cb -0.10 -3.77 0.07 0.00 -0.57 0.00 0.00 43.02 38.65 2kh2 s PHE 150 CO -0.12 -2.78 0.72 0.14 -0.10 0.00 0.00 175.22 173.08 2kh2 s VAL 151 N 1.22 2.24 -0.90 -0.44 -7.23 -1.04 -4.94 120.40 109.31 2kh2 s VAL 151 Ca 0.67 -1.05 -0.07 0.00 -1.81 0.00 0.00 61.98 59.72 2kh2 s VAL 151 Cb -0.39 -2.29 -0.12 0.00 0.56 0.00 0.00 36.38 34.14 2kh2 s VAL 151 CO 0.30 0.00 2.73 -1.20 -0.31 0.00 0.00 175.10 176.63 2kh2 n SER 152 N -2.13 6.21 0.00 4.85 7.64 -1.26 -4.84 113.62 124.08 2kh2 n SER 152 Ca 0.13 -2.41 0.00 0.00 1.01 0.00 0.00 58.87 57.60 2kh2 n SER 152 Cb 0.61 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83