#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 -0.57 -4.78 0.00 0.11 -2.04 -3.39 132.00 121.33 2kh2 h PRO 2 Ca 0.00 0.04 -0.68 0.00 0.11 0.00 0.00 66.00 65.47 2kh2 h PRO 2 Cb 0.00 0.13 -0.19 0.00 0.11 0.00 0.00 31.00 31.05 2kh2 h PRO 2 CO 0.00 -0.38 -0.35 0.54 -0.21 0.00 0.00 178.00 177.60 2kh2 s VAL 3 N -6.09 5.20 0.20 3.15 0.11 -1.26 -4.95 120.40 116.76 2kh2 s VAL 3 Ca -0.16 -0.24 -0.30 0.00 -2.93 0.00 0.00 61.98 58.35 2kh2 s VAL 3 Cb 0.05 -3.86 -0.08 0.00 -1.53 0.00 0.00 36.38 30.96 2kh2 s VAL 3 CO 0.64 -0.18 1.05 -0.13 -3.33 0.00 0.00 175.10 173.14 2kh2 s ARG 4 N 1.89 4.68 -0.15 1.54 0.52 -1.26 -4.89 118.95 121.27 2kh2 s ARG 4 Ca 0.09 1.65 -0.10 0.00 -0.52 0.00 0.00 55.73 56.85 2kh2 s ARG 4 Cb -0.17 -3.27 0.05 0.00 0.52 0.00 0.00 34.95 32.07 2kh2 s ARG 4 CO 0.11 0.22 0.38 -1.12 0.02 0.00 0.00 175.30 174.92 2kh2 s SER 5 N -0.49 -0.45 -0.04 0.23 0.01 -1.26 -0.01 113.70 111.69 2kh2 s SER 5 Ca 0.46 0.82 0.04 0.00 1.31 0.00 0.00 55.95 58.58 2kh2 s SER 5 Cb -0.28 0.74 -0.00 0.00 0.21 0.00 0.00 66.02 66.68 2kh2 s SER 5 CO 0.35 -0.17 -0.17 -1.48 0.41 0.00 0.00 173.24 172.18 2kh2 s LEU 6 N 0.99 1.91 -0.11 2.44 0.05 -0.93 -4.90 118.68 118.14 2kh2 s LEU 6 Ca -0.06 -0.35 -0.25 0.00 0.05 0.00 0.00 54.13 53.52 2kh2 s LEU 6 Cb -0.07 -0.97 -0.03 0.00 -2.05 0.00 0.00 46.19 43.07 2kh2 s LEU 6 CO -0.08 0.15 0.77 0.20 -0.55 0.00 0.00 176.35 176.84 2kh2 s ASN 7 N 0.06 6.99 0.12 1.48 0.01 -1.26 -0.49 114.94 121.86 2kh2 s ASN 7 Ca -0.04 1.21 -0.10 0.00 -0.71 0.00 0.00 52.86 53.21 2kh2 s ASN 7 Cb -0.12 -2.44 0.00 0.00 0.41 0.00 0.00 41.25 39.11 2kh2 s ASN 7 CO 0.02 -0.25 0.27 0.00 -1.51 0.00 0.00 177.10 175.63 2kh2 s THR 9 N -3.89 3.97 -0.04 0.00 -4.23 0.67 0.10 115.64 112.21 2kh2 s THR 9 Ca 0.09 -1.42 0.05 0.00 -1.18 0.00 0.00 61.69 59.22 2kh2 s THR 9 Cb 0.04 -3.05 -0.00 0.00 1.34 0.00 0.00 72.50 70.82 2kh2 s THR 9 CO -0.07 -0.19 -0.18 -0.76 -0.54 0.00 0.00 174.62 172.88 2kh2 s LEU 10 N -3.24 1.94 0.02 4.79 1.43 -1.26 -2.28 118.68 120.07 2kh2 s LEU 10 Ca 0.30 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2kh2 s LEU 10 Cb -0.09 -1.01 -0.02 0.00 0.03 0.00 0.00 46.19 45.11 2kh2 s LEU 10 CO 0.21 0.17 -0.04 -0.13 0.23 0.00 0.00 176.35 176.78 2kh2 s ARG 11 N -0.02 0.35 0.92 1.70 0.52 -1.22 -3.05 118.95 118.14 2kh2 s ARG 11 Ca -0.03 -0.50 -0.14 0.00 -0.52 0.00 0.00 55.73 54.54 2kh2 s ARG 11 Cb -0.11 -0.11 0.18 0.00 0.52 0.00 0.00 34.95 35.43 2kh2 s ARG 11 CO 0.02 0.01 1.27 0.16 0.02 0.00 0.00 175.30 176.78 2kh2 s ASP 12 N -1.08 3.35 0.00 0.23 1.47 -1.00 0.11 116.67 119.76 2kh2 s ASP 12 Ca -0.09 0.19 0.10 0.00 1.18 0.00 0.00 52.55 53.93 2kh2 s ASP 12 Cb -0.07 -0.30 0.47 0.00 -0.34 0.00 0.00 42.92 42.67 2kh2 s ASP 12 CO -0.00 -2.57 1.27 -1.54 0.68 0.00 0.00 175.17 173.00 2kh2 n SER 13 N -3.61 0.00 -1.17 2.11 3.41 -1.26 -1.15 113.62 111.95 2kh2 n SER 13 Ca 0.15 0.33 0.12 0.00 -0.26 0.00 0.00 58.87 59.21 2kh2 n SER 13 Cb 0.60 -0.40 0.24 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.40 2.52 -2.30 4.33 1.13 -1.26 -4.93 117.38 115.47 2kh2 n GLN 14 Ca 0.04 -2.31 -0.14 0.00 -1.94 0.00 0.00 57.00 52.65 2kh2 n GLN 14 Cb 0.10 -1.52 -0.00 0.00 0.11 0.00 0.00 30.24 28.92 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 1.48 -1.26 -3.45 -1.09 1.13 -0.30 -4.91 117.38 108.99 2kh2 n GLN 15 Ca 0.20 0.67 -0.43 0.00 -1.94 0.00 0.00 57.00 55.50 2kh2 n GLN 15 Cb 0.60 -4.95 -0.09 0.00 0.11 0.00 0.00 30.24 25.91 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 -4.74 2.96 0.71 -1.09 1.02 -1.26 -4.04 119.74 113.31 2kh2 s LYS 16 Ca 0.01 -1.12 -0.11 0.00 0.02 0.00 0.00 55.97 54.77 2kh2 s LYS 16 Cb -0.01 -4.01 0.02 0.00 -0.52 0.00 0.00 37.83 33.31 2kh2 s LYS 16 CO 0.02 -0.83 1.07 -1.12 -0.92 0.00 0.00 175.35 173.56 2kh2 s SER 17 N 1.94 5.19 -0.13 2.83 0.01 -0.44 -2.37 113.70 120.73 2kh2 s SER 17 Ca 0.05 1.67 -0.19 0.00 1.31 0.00 0.00 55.95 58.79 2kh2 s SER 17 Cb -0.21 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 2kh2 s SER 17 CO 0.09 -1.58 0.50 -0.76 0.41 0.00 0.00 173.24 171.91 2kh2 s LEU 18 N -5.61 4.25 0.10 2.44 1.43 -1.17 -1.67 118.68 118.45 2kh2 s LEU 18 Ca 0.59 0.81 0.08 0.00 -1.03 0.00 0.00 54.13 54.58 2kh2 s LEU 18 Cb -0.15 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 2kh2 s LEU 18 CO 0.55 -0.05 -0.19 0.68 0.23 0.00 0.00 176.35 177.57 2kh2 s VAL 19 N 0.85 1.62 -0.34 -1.59 -7.23 0.85 -1.40 120.40 113.16 2kh2 s VAL 19 Ca 0.26 -1.55 -0.25 0.00 -1.81 0.00 0.00 61.98 58.63 2kh2 s VAL 19 Cb -0.15 -1.51 0.01 0.00 0.56 0.00 0.00 36.38 35.29 2kh2 s VAL 19 CO 0.11 -0.12 0.88 -0.04 -0.31 0.00 0.00 175.10 175.62 2kh2 s MET 20 N -2.00 3.90 0.00 4.82 -1.94 -1.26 -0.19 119.30 122.63 2kh2 s MET 20 Ca 0.06 0.62 0.00 0.00 -1.71 0.00 0.00 55.69 54.66 2kh2 s MET 20 Cb -0.09 -3.77 0.00 0.00 2.01 0.00 0.00 34.83 32.98 2kh2 s MET 20 CO 0.04 -0.84 0.00 0.45 -0.01 0.00 0.00 175.02 174.66 2kh2 n SER 21 N 6.56 0.00 -0.66 3.03 2.88 0.50 -4.96 113.62 120.98 2kh2 n SER 21 Ca 0.06 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 2kh2 n SER 21 Cb 0.48 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 2kh2 n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kh2 n GLY 22 N 2.45 1.48 0.19 0.46 0.00 -1.24 -4.94 105.19 103.60 2kh2 n GLY 22 Ca 0.00 -1.98 0.04 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.64 1.61 0.13 -2.02 -3.28 132.00 127.80 2kh2 h PRO 23 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.82 2kh2 h PRO 23 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 2kh2 h PRO 23 CO 0.00 0.35 -1.10 0.66 -0.23 0.00 0.00 178.00 177.69 2kh2 n TYR 24 N -3.96 1.45 -4.04 1.56 4.01 -1.26 -5.00 117.16 109.93 2kh2 n TYR 24 Ca -0.02 -2.34 -0.15 0.00 -0.16 0.00 0.00 57.90 55.23 2kh2 n TYR 24 Cb 0.41 -0.27 -0.15 0.00 -0.31 0.00 0.00 39.34 39.02 2kh2 n TYR 24 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2kh2 s GLU 25 N -3.61 0.29 -0.02 -0.72 2.12 -1.24 -4.19 118.70 111.33 2kh2 s GLU 25 Ca 0.30 -0.08 0.07 0.00 0.36 0.00 0.00 54.97 55.61 2kh2 s GLU 25 Cb 0.37 -0.32 -0.02 0.00 0.26 0.00 0.00 34.13 34.42 2kh2 s GLU 25 CO -0.02 0.03 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.99 2kh2 s LEU 26 N 0.14 2.04 0.18 2.70 1.43 -1.26 -0.37 118.68 123.54 2kh2 s LEU 26 Ca -0.01 -0.42 0.06 0.00 -1.03 0.00 0.00 54.13 52.73 2kh2 s LEU 26 Cb -0.04 -1.20 -0.05 0.00 0.03 0.00 0.00 46.19 44.94 2kh2 s LEU 26 CO -0.00 0.27 -0.13 -0.54 0.23 0.00 0.00 176.35 176.18 2kh2 s LYS 27 N -0.47 1.22 -0.13 1.70 1.02 0.74 -0.89 119.74 122.92 2kh2 s LYS 27 Ca 0.07 -1.53 0.03 0.00 0.02 0.00 0.00 55.97 54.55 2kh2 s LYS 27 Cb -0.10 -0.92 0.01 0.00 -0.52 0.00 0.00 37.83 36.30 2kh2 s LYS 27 CO -0.00 0.14 -0.22 0.00 -0.92 0.00 0.00 175.35 174.35 2kh2 s ALA 28 N -3.11 2.20 0.06 5.17 0.00 0.36 -0.10 121.76 126.33 2kh2 s ALA 28 Ca 0.20 -1.05 -0.24 0.00 0.00 0.00 0.00 51.96 50.88 2kh2 s ALA 28 Cb 0.01 -0.95 0.06 0.00 0.00 0.00 0.00 23.12 22.23 2kh2 s ALA 28 CO 0.04 0.02 0.56 -0.48 0.00 0.00 0.00 175.76 175.90 2kh2 s LEU 29 N 0.75 -0.25 0.13 0.00 0.05 -0.67 -2.84 118.68 115.85 2kh2 s LEU 29 Ca -0.09 0.21 -0.33 0.00 0.05 0.00 0.00 54.13 53.97 2kh2 s LEU 29 Cb -0.16 2.28 -0.12 0.00 -2.05 0.00 0.00 46.19 46.14 2kh2 s LEU 29 CO -0.00 -0.76 1.73 1.41 -0.55 0.00 0.00 176.35 178.18 2kh2 n HIS 30 N 0.30 2.51 -3.72 3.48 8.25 -1.26 -1.32 115.22 123.47 2kh2 n HIS 30 Ca -0.18 0.05 -0.28 0.00 -0.26 0.00 0.00 57.72 57.05 2kh2 n HIS 30 Cb 0.61 -2.65 -0.16 0.00 1.12 0.00 0.00 29.99 28.91 2kh2 n HIS 30 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2kh2 s LEU 31 N 1.91 1.26 -0.15 2.41 2.96 -1.26 -4.89 118.68 120.92 2kh2 s LEU 31 Ca 0.80 -0.97 -0.06 0.00 -0.22 0.00 0.00 54.13 53.68 2kh2 s LEU 31 Cb -0.57 -0.60 0.06 0.00 0.50 0.00 0.00 46.19 45.58 2kh2 s LEU 31 CO 0.38 -0.33 0.33 -1.58 -1.32 0.00 0.00 176.35 173.82 2kh2 s GLN 32 N 1.85 0.26 0.00 1.98 0.74 -1.26 -4.76 119.66 118.46 2kh2 s GLN 32 Ca 0.01 0.76 0.00 0.00 0.05 0.00 0.00 55.36 56.18 2kh2 s GLN 32 Cb -0.17 0.02 0.00 0.00 1.10 0.00 0.00 33.01 33.96 2kh2 s GLN 32 CO -0.13 -0.22 0.00 0.41 -0.55 0.00 0.00 175.29 174.81 2kh2 n GLY 33 N 4.80 0.22 0.00 2.59 0.00 -1.26 -4.63 105.19 106.91 2kh2 n GLY 33 Ca -0.16 -1.91 0.11 0.00 0.00 0.00 0.00 46.02 44.06 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 0.66 -0.02 1.61 -0.06 -1.26 -1.83 117.38 116.48 2kh2 n GLN 34 Ca 0.00 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 55.09 2kh2 n GLN 34 Cb 0.00 -1.50 0.09 0.00 -4.06 0.00 0.00 30.24 24.77 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 -1.01 2.54 0.27 1.69 9.92 -1.26 -4.44 116.55 124.26 2kh2 n ASP 35 Ca 0.16 -1.75 0.12 0.00 -0.53 0.00 0.00 54.79 52.79 2kh2 n ASP 35 Cb 0.08 -0.03 0.77 0.00 -0.64 0.00 0.00 41.12 41.29 2kh2 n ASP 35 CO 0.00 0.00 0.00 0.24 0.13 0.00 0.00 177.20 177.57 2kh2 h MET 36 N 3.42 0.00 -0.02 -1.24 2.86 -1.66 -0.70 114.93 117.59 2kh2 h MET 36 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kh2 h MET 36 Cb 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 2kh2 h MET 36 CO 0.00 0.05 0.00 0.39 1.06 0.00 0.00 176.91 178.41 2kh2 n GLU 37 N -4.00 1.13 0.00 1.72 -0.58 -1.26 -3.26 120.64 114.39 2kh2 n GLU 37 Ca -0.03 -0.19 0.13 0.00 -0.42 0.00 0.00 57.16 56.66 2kh2 n GLU 37 Cb 0.14 -1.35 0.43 0.00 -0.57 0.00 0.00 31.44 30.09 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 -0.64 0.80 -1.68 3.49 6.02 -0.27 -4.91 117.38 120.19 2kh2 n GLN 38 Ca 0.16 -0.43 -0.30 0.00 -0.01 0.00 0.00 57.00 56.42 2kh2 n GLN 38 Cb 0.12 -1.49 0.06 0.00 1.02 0.00 0.00 30.24 29.95 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 -2.50 2.64 -0.01 -1.09 -2.07 -1.20 -4.67 119.66 110.76 2kh2 s GLN 39 Ca 0.25 0.67 -0.17 0.00 -1.82 0.00 0.00 55.36 54.29 2kh2 s GLN 39 Cb 0.19 -1.98 -0.06 0.00 -1.09 0.00 0.00 33.01 30.08 2kh2 s GLN 39 CO 0.51 -1.24 0.47 0.08 -1.32 0.00 0.00 175.29 173.79 2kh2 s VAL 40 N -3.19 4.99 -0.27 3.63 1.01 -0.49 -5.00 120.40 121.07 2kh2 s VAL 40 Ca 0.59 0.98 -0.09 0.00 0.00 0.00 0.00 61.98 63.46 2kh2 s VAL 40 Cb -0.13 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2kh2 s VAL 40 CO 0.54 0.50 0.13 -0.69 0.00 0.00 0.00 175.10 175.58 2kh2 s VAL 41 N -0.62 4.68 -0.14 2.92 1.01 -1.26 -4.46 120.40 122.52 2kh2 s VAL 41 Ca 0.26 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 2kh2 s VAL 41 Cb -0.17 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2kh2 s VAL 41 CO 0.14 0.24 0.14 -0.36 0.00 0.00 0.00 175.10 175.26 2kh2 s PHE 42 N 1.66 3.54 -0.25 5.22 0.08 0.12 -0.96 117.98 127.39 2kh2 s PHE 42 Ca 0.06 0.47 -0.20 0.00 0.12 0.00 0.00 56.93 57.38 2kh2 s PHE 42 Cb -0.16 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.27 2kh2 s PHE 42 CO 0.06 0.61 0.62 -1.12 -0.10 0.00 0.00 175.22 175.29 2kh2 s SER 43 N -0.62 6.59 -0.63 1.36 0.01 0.14 -0.66 113.70 119.88 2kh2 s SER 43 Ca 0.13 0.72 -0.18 0.00 1.31 0.00 0.00 55.95 57.92 2kh2 s SER 43 Cb -0.12 -2.34 0.12 0.00 0.21 0.00 0.00 66.02 63.90 2kh2 s SER 43 CO 0.02 -0.35 0.71 -0.32 0.41 0.00 0.00 173.24 173.71 2kh2 s MET 44 N 2.40 3.13 0.06 12.44 1.75 0.36 -2.61 119.30 136.83 2kh2 s MET 44 Ca 0.26 -1.51 -0.23 0.00 -1.25 0.00 0.00 55.69 52.96 2kh2 s MET 44 Cb -0.16 -4.33 -0.06 0.00 2.84 0.00 0.00 34.83 33.12 2kh2 s MET 44 CO 0.09 -1.51 0.69 -1.12 -0.65 0.00 0.00 175.02 172.52 2kh2 s SER 45 N 3.49 7.16 -0.91 1.11 0.01 -0.98 -2.18 113.70 121.41 2kh2 s SER 45 Ca 0.12 1.38 -0.21 0.00 1.31 0.00 0.00 55.95 58.56 2kh2 s SER 45 Cb -0.22 -2.43 0.10 0.00 0.21 0.00 0.00 66.02 63.68 2kh2 s SER 45 CO 0.03 0.12 1.19 -0.36 0.41 0.00 0.00 173.24 174.64 2kh2 s PHE 46 N -0.50 2.89 0.93 2.43 0.40 0.99 -0.32 117.98 124.79 2kh2 s PHE 46 Ca 0.34 -1.10 -0.14 0.00 -0.60 0.00 0.00 56.93 55.43 2kh2 s PHE 46 Cb -0.20 -4.40 0.16 0.00 0.51 0.00 0.00 43.02 39.08 2kh2 s PHE 46 CO 0.21 -1.64 1.22 0.14 0.70 0.00 0.00 175.22 175.85 2kh2 s VAL 47 N 3.54 1.96 -0.54 -0.44 -7.23 -1.22 -4.54 120.40 111.93 2kh2 s VAL 47 Ca 0.35 0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 60.37 2kh2 s VAL 47 Cb -0.05 -2.90 0.13 0.00 0.56 0.00 0.00 36.38 34.12 2kh2 s VAL 47 CO -0.06 0.00 0.48 -1.58 -0.31 0.00 0.00 175.10 173.62 2kh2 s GLN 48 N -5.61 2.90 0.00 4.82 2.00 -0.55 -4.81 119.66 118.41 2kh2 s GLN 48 Ca 0.68 -1.76 0.00 0.00 -2.00 0.00 0.00 55.36 52.27 2kh2 s GLN 48 Cb -0.09 -4.22 0.00 0.00 0.80 0.00 0.00 33.01 29.50 2kh2 s GLN 48 CO 0.52 -1.30 0.00 0.41 -0.50 0.00 0.00 175.29 174.42 2kh2 n GLY 49 N 5.10 5.49 3.52 2.59 0.00 -1.26 -4.89 105.19 115.74 2kh2 n GLY 49 Ca -0.11 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 0.88 3.25 0.62 1.61 2.56 -1.26 -4.93 118.70 121.43 2kh2 s GLU 50 Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 54.97 54.60 2kh2 s GLU 50 Cb 0.00 -4.14 0.05 0.00 2.00 0.00 0.00 34.13 32.04 2kh2 s GLU 50 CO 0.00 -1.81 0.89 -1.21 -0.56 0.00 0.00 175.26 172.57 2kh2 s GLU 51 N 4.68 2.37 0.00 4.30 2.02 -1.26 -4.52 118.70 126.28 2kh2 s GLU 51 Ca 0.31 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.76 2kh2 s GLU 51 Cb -0.12 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.78 2kh2 s GLU 51 CO 0.16 -0.97 0.00 -1.13 0.02 0.00 0.00 175.26 173.34 2kh2 n SER 52 N -2.62 0.00 0.11 -0.19 3.41 -1.12 -5.04 113.62 108.17 2kh2 n SER 52 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2kh2 n SER 52 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.08 -1.93 -0.94 4.04 2.85 -1.26 -4.91 115.26 113.04 2kh2 n ASN 53 Ca 0.00 0.50 0.06 0.00 -0.11 0.00 0.00 54.58 55.02 2kh2 n ASN 53 Cb 0.00 2.01 0.19 0.00 1.24 0.00 0.00 39.78 43.22 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2kh2 n ASP 54 N -2.96 2.69 -3.37 1.20 5.75 -1.26 -4.70 116.55 113.90 2kh2 n ASP 54 Ca 0.00 -2.18 0.01 0.00 -0.01 0.00 0.00 54.79 52.60 2kh2 n ASP 54 Cb 0.00 -0.39 -0.03 0.00 -1.03 0.00 0.00 41.12 39.67 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2kh2 s LYS 55 N -1.64 0.55 -0.12 0.11 2.20 -1.24 0.19 119.74 119.78 2kh2 s LYS 55 Ca 0.28 1.15 0.01 0.00 -0.36 0.00 0.00 55.97 57.06 2kh2 s LYS 55 Cb 0.17 0.61 0.02 0.00 -1.51 0.00 0.00 37.83 37.12 2kh2 s LYS 55 CO 0.15 -0.45 -0.16 0.42 -0.36 0.00 0.00 175.35 174.95 2kh2 s ILE 56 N 2.85 1.60 -0.12 5.43 -1.09 -0.32 -2.78 121.20 126.78 2kh2 s ILE 56 Ca 0.09 -0.69 -0.29 0.00 -2.23 0.00 0.00 60.65 57.53 2kh2 s ILE 56 Cb -0.14 -1.47 -0.03 0.00 -1.58 0.00 0.00 42.46 39.25 2kh2 s ILE 56 CO -0.20 0.46 1.35 -2.16 -1.23 0.00 0.00 174.94 173.17 2kh2 s PRO 57 N 1.09 4.24 0.20 2.79 0.04 -1.26 -0.64 135.00 141.46 2kh2 s PRO 57 Ca -0.04 1.80 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 2kh2 s PRO 57 Cb -0.14 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 2kh2 s PRO 57 CO -0.04 -0.70 0.14 0.14 0.04 0.00 0.00 177.00 176.59 2kh2 s VAL 58 N 3.37 0.00 0.21 -0.36 -7.23 0.70 -3.45 120.40 113.65 2kh2 s VAL 58 Ca 0.59 -1.98 0.08 0.00 -1.81 0.00 0.00 61.98 58.87 2kh2 s VAL 58 Cb -0.25 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 2kh2 s VAL 58 CO 0.19 -0.00 -0.02 0.00 -0.31 0.00 0.00 175.10 174.96 2kh2 s ALA 59 N -4.15 3.13 -0.20 1.32 0.00 0.56 -0.28 121.76 122.14 2kh2 s ALA 59 Ca 0.38 -1.49 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 2kh2 s ALA 59 Cb 0.07 -0.86 0.06 0.00 0.00 0.00 0.00 23.12 22.38 2kh2 s ALA 59 CO 0.12 0.40 -0.02 -0.51 0.00 0.00 0.00 175.76 175.75 2kh2 s LEU 60 N -3.18 1.80 0.21 0.00 1.43 -1.26 -2.31 118.68 115.36 2kh2 s LEU 60 Ca 0.28 -0.92 0.02 0.00 -1.03 0.00 0.00 54.13 52.49 2kh2 s LEU 60 Cb -0.08 -0.88 -0.05 0.00 0.03 0.00 0.00 46.19 45.21 2kh2 s LEU 60 CO 0.18 -0.25 0.02 -0.83 0.23 0.00 0.00 176.35 175.70 2kh2 s GLY 61 N 1.64 1.43 0.21 -3.19 0.00 -1.07 -1.39 107.32 104.94 2kh2 s GLY 61 Ca -0.02 -1.70 -0.30 0.00 0.00 0.00 0.00 44.72 42.70 2kh2 s GLY 61 CO -0.07 -1.58 1.06 1.08 0.00 0.00 0.00 173.10 173.59 2kh2 s LEU 62 N -3.24 4.54 -0.14 0.66 1.02 0.20 0.24 118.68 121.95 2kh2 s LEU 62 Ca 0.28 2.09 -0.37 0.00 0.02 0.00 0.00 54.13 56.15 2kh2 s LEU 62 Cb 0.06 -3.61 -0.14 0.00 0.02 0.00 0.00 46.19 42.52 2kh2 s LEU 62 CO 0.07 -0.12 1.74 1.17 0.02 0.00 0.00 176.35 179.23 2kh2 n LYS 63 N 1.92 1.59 -3.18 1.70 4.81 -0.13 -1.44 118.16 123.42 2kh2 n LYS 63 Ca 0.01 0.58 -0.21 0.00 -0.87 0.00 0.00 58.31 57.82 2kh2 n LYS 63 Cb 0.46 -2.32 -0.00 0.00 0.02 0.00 0.00 35.03 33.19 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 5.37 -3.35 -4.25 1.64 0.28 -1.26 -4.96 120.64 114.10 2kh2 n GLU 64 Ca 0.24 0.52 -0.14 0.00 -0.16 0.00 0.00 57.16 57.62 2kh2 n GLU 64 Cb 0.21 -5.23 -0.10 0.00 1.43 0.00 0.00 31.44 27.75 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 -5.82 1.14 -0.25 3.44 1.02 -0.52 -5.05 119.74 113.69 2kh2 s LYS 65 Ca 0.33 -1.55 0.11 0.00 0.02 0.00 0.00 55.97 54.87 2kh2 s LYS 65 Cb -0.17 -0.33 0.71 0.00 -0.52 0.00 0.00 37.83 37.52 2kh2 s LYS 65 CO 0.40 -0.12 1.66 0.27 -0.92 0.00 0.00 175.35 176.65 2kh2 n ASN 66 N -0.27 4.96 -4.54 2.83 6.94 -1.26 -4.53 115.26 119.39 2kh2 n ASN 66 Ca -0.06 -2.96 -0.38 0.00 -0.02 0.00 0.00 54.58 51.16 2kh2 n ASN 66 Cb 0.63 -0.70 -0.11 0.00 -2.36 0.00 0.00 39.78 37.24 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 -2.58 3.90 0.13 -4.53 1.43 -1.26 -0.53 118.68 115.25 2kh2 s LEU 67 Ca 0.49 -0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.57 2kh2 s LEU 67 Cb 0.39 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 2kh2 s LEU 67 CO 0.13 -0.06 -0.20 -0.31 0.23 0.00 0.00 176.35 176.15 2kh2 s TYR 68 N 1.71 1.80 -0.15 0.29 1.51 -0.16 -0.63 117.35 121.72 2kh2 s TYR 68 Ca 0.07 -0.44 -0.29 0.00 -1.01 0.00 0.00 57.07 55.39 2kh2 s TYR 68 Cb -0.16 -0.94 -0.01 0.00 -0.11 0.00 0.00 41.96 40.73 2kh2 s TYR 68 CO 0.09 0.26 1.20 -0.51 -1.11 0.00 0.00 175.55 175.48 2kh2 s LEU 69 N -2.26 4.20 -0.04 -1.29 1.43 -0.48 -0.13 118.68 120.11 2kh2 s LEU 69 Ca 0.11 1.67 0.07 0.00 -1.03 0.00 0.00 54.13 54.94 2kh2 s LEU 69 Cb -0.08 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 2kh2 s LEU 69 CO 0.05 -0.69 -0.24 -0.55 0.23 0.00 0.00 176.35 175.15 2kh2 s SER 70 N 1.70 3.18 -0.36 2.29 0.15 0.96 -4.48 113.70 117.13 2kh2 s SER 70 Ca 0.53 -0.45 -0.11 0.00 0.70 0.00 0.00 55.95 56.62 2kh2 s SER 70 Cb -0.21 -0.59 0.02 0.00 -1.71 0.00 0.00 66.02 63.53 2kh2 s SER 70 CO 0.15 0.29 0.21 0.00 1.20 0.00 0.00 173.24 175.09 2kh2 s VAL 72 N 1.58 0.67 -0.28 0.00 -7.23 -0.68 -4.74 120.40 109.73 2kh2 s VAL 72 Ca 0.03 -1.98 -0.14 0.00 -1.81 0.00 0.00 61.98 58.08 2kh2 s VAL 72 Cb -0.19 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2kh2 s VAL 72 CO 0.07 -0.43 0.33 -0.76 -0.31 0.00 0.00 175.10 174.00 2kh2 s LEU 73 N -3.19 4.06 -0.37 1.32 1.43 -1.26 0.36 118.68 121.03 2kh2 s LEU 73 Ca 0.25 0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.53 2kh2 s LEU 73 Cb 0.06 -2.36 0.09 0.00 0.03 0.00 0.00 46.19 44.02 2kh2 s LEU 73 CO 0.05 -0.16 0.13 -0.54 0.23 0.00 0.00 176.35 176.06 2kh2 s LYS 74 N 2.00 2.02 -0.82 1.70 1.02 0.11 -4.68 119.74 121.10 2kh2 s LYS 74 Ca 0.13 -1.70 -0.04 0.00 0.02 0.00 0.00 55.97 54.38 2kh2 s LYS 74 Cb -0.16 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.67 2kh2 s LYS 74 CO 0.10 -0.95 0.73 -3.47 -0.92 0.00 0.00 175.35 170.84 2kh2 n ASP 75 N 4.55 -6.18 -0.84 2.83 4.64 -1.26 -3.00 116.55 117.28 2kh2 n ASP 75 Ca -0.04 -0.46 -0.10 0.00 -1.38 0.00 0.00 54.79 52.81 2kh2 n ASP 75 Cb 0.42 -4.53 -0.04 0.00 -1.04 0.00 0.00 41.12 35.93 2kh2 n ASP 75 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2kh2 n ASP 76 N -2.62 -5.26 -3.90 1.67 9.92 -1.26 -4.95 116.55 110.16 2kh2 n ASP 76 Ca -0.04 0.26 -0.25 0.00 -0.53 0.00 0.00 54.79 54.22 2kh2 n ASP 76 Cb 0.58 -3.93 -0.17 0.00 -0.64 0.00 0.00 41.12 36.96 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 -2.80 1.34 0.05 -1.24 2.47 -1.16 -5.10 119.74 113.30 2kh2 s LYS 77 Ca 0.00 -0.20 -0.30 0.00 -1.56 0.00 0.00 55.97 53.90 2kh2 s LYS 77 Cb 0.00 -1.41 -0.08 0.00 -1.46 0.00 0.00 37.83 34.88 2kh2 s LYS 77 CO 0.00 -0.22 1.67 -2.14 0.16 0.00 0.00 175.35 174.82 2kh2 s PRO 78 N 1.57 4.19 0.10 4.03 0.02 -1.26 0.09 135.00 143.73 2kh2 s PRO 78 Ca 0.01 2.33 0.02 0.00 0.02 0.00 0.00 61.00 63.39 2kh2 s PRO 78 Cb -0.13 -3.69 -0.04 0.00 0.02 0.00 0.00 34.50 30.66 2kh2 s PRO 78 CO -0.06 -0.76 -0.08 0.99 -0.33 0.00 0.00 177.00 176.76 2kh2 s THR 79 N 2.95 0.76 0.00 0.99 2.01 0.16 -4.72 115.64 117.79 2kh2 s THR 79 Ca 0.75 -1.83 -0.05 0.00 0.31 0.00 0.00 61.69 60.87 2kh2 s THR 79 Cb -0.39 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 2kh2 s THR 79 CO 0.32 -0.77 0.23 -0.22 -0.69 0.00 0.00 174.62 173.50 2kh2 s LEU 80 N -2.84 4.37 0.27 4.42 2.96 -1.26 -1.69 118.68 124.91 2kh2 s LEU 80 Ca 0.09 0.48 -0.14 0.00 -0.22 0.00 0.00 54.13 54.33 2kh2 s LEU 80 Cb 0.02 -2.65 0.01 0.00 0.50 0.00 0.00 46.19 44.07 2kh2 s LEU 80 CO -0.03 0.26 0.57 0.00 -1.32 0.00 0.00 176.35 175.82 2kh2 s GLN 81 N -1.83 1.69 -0.27 1.98 -2.07 -0.26 -4.92 119.66 113.97 2kh2 s GLN 81 Ca 0.27 -1.23 -0.08 0.00 -1.82 0.00 0.00 55.36 52.50 2kh2 s GLN 81 Cb -0.13 0.52 -0.02 0.00 -1.09 0.00 0.00 33.01 32.29 2kh2 s GLN 81 CO 0.17 -0.73 0.10 -0.51 -1.32 0.00 0.00 175.29 173.00 2kh2 s LEU 82 N -3.01 3.72 -0.08 2.60 2.01 -1.26 -0.03 118.68 122.63 2kh2 s LEU 82 Ca 0.19 -0.35 -0.02 0.00 0.01 0.00 0.00 54.13 53.96 2kh2 s LEU 82 Cb -0.02 -1.95 -0.03 0.00 0.01 0.00 0.00 46.19 44.19 2kh2 s LEU 82 CO 0.10 -0.10 0.02 -0.70 1.01 0.00 0.00 176.35 176.67 2kh2 s GLU 83 N 1.61 3.02 -0.29 1.70 2.12 0.82 -4.88 118.70 122.79 2kh2 s GLU 83 Ca 0.05 -0.39 -0.20 0.00 0.36 0.00 0.00 54.97 54.79 2kh2 s GLU 83 Cb -0.16 -2.83 -0.01 0.00 0.26 0.00 0.00 34.13 31.39 2kh2 s GLU 83 CO 0.05 0.70 0.60 -1.12 -0.54 0.00 0.00 175.26 174.95 2kh2 s SER 84 N -0.98 6.48 0.21 -1.70 0.01 -1.26 -0.99 113.70 115.46 2kh2 s SER 84 Ca 0.14 0.44 0.07 0.00 1.31 0.00 0.00 55.95 57.92 2kh2 s SER 84 Cb -0.11 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 2kh2 s SER 84 CO 0.03 -0.43 0.08 0.68 0.41 0.00 0.00 173.24 174.02 2kh2 s VAL 85 N 2.52 4.04 0.01 3.43 -7.23 0.31 -5.02 120.40 118.46 2kh2 s VAL 85 Ca 0.24 -1.42 -0.32 0.00 -1.81 0.00 0.00 61.98 58.67 2kh2 s VAL 85 Cb -0.15 -3.10 -0.10 0.00 0.56 0.00 0.00 36.38 33.58 2kh2 s VAL 85 CO 0.11 -0.22 1.93 -0.67 -0.31 0.00 0.00 175.10 175.94 2kh2 n ASP 86 N -0.58 3.91 0.14 4.85 4.64 -1.26 -4.77 116.55 123.48 2kh2 n ASP 86 Ca -0.08 0.94 0.11 0.00 -1.38 0.00 0.00 54.79 54.37 2kh2 n ASP 86 Cb 0.56 -1.48 0.52 0.00 -1.04 0.00 0.00 41.12 39.68 2kh2 n ASP 86 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2kh2 n PRO 87 N 6.99 0.15 -0.01 -0.67 -0.04 -1.26 -0.90 135.00 139.26 2kh2 n PRO 87 Ca 0.21 0.54 0.05 0.00 -0.04 0.00 0.00 63.50 64.25 2kh2 n PRO 87 Cb 0.37 -1.89 -0.10 0.00 -0.04 0.00 0.00 33.50 31.84 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 -2.20 0.62 0.00 0.54 2.85 -1.26 -4.44 118.16 114.26 2kh2 n LYS 88 Ca 0.00 -0.10 0.12 0.00 -1.05 0.00 0.00 58.31 57.28 2kh2 n LYS 88 Cb 0.12 -1.30 0.16 0.00 -0.65 0.00 0.00 35.03 33.36 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 -2.00 2.20 -4.01 -5.58 3.02 -0.97 -4.92 115.26 102.99 2kh2 n ASN 89 Ca -0.05 -1.62 -0.11 0.00 -0.03 0.00 0.00 54.58 52.77 2kh2 n ASN 89 Cb 0.40 0.18 -0.12 0.00 -0.61 0.00 0.00 39.78 39.64 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 -2.23 0.45 0.75 3.10 1.51 -0.08 -4.56 117.35 116.29 2kh2 s TYR 90 Ca 0.26 -0.46 -0.10 0.00 -1.01 0.00 0.00 57.07 55.76 2kh2 s TYR 90 Cb 0.19 -0.29 0.17 0.00 -0.11 0.00 0.00 41.96 41.92 2kh2 s TYR 90 CO 0.43 -0.12 1.02 -0.35 -1.11 0.00 0.00 175.55 175.42 2kh2 n PRO 91 N 1.70 -0.75 -3.92 -1.71 -0.04 -1.26 -4.67 135.00 124.35 2kh2 n PRO 91 Ca -0.22 -1.87 -0.09 0.00 -0.04 0.00 0.00 63.50 61.27 2kh2 n PRO 91 Cb 0.55 -0.96 -0.07 0.00 -0.04 0.00 0.00 33.50 32.99 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 -5.18 1.16 0.01 0.54 -2.85 -1.26 -5.06 119.74 107.09 2kh2 s LYS 92 Ca 0.60 -1.11 -0.26 0.00 -1.00 0.00 0.00 55.97 54.21 2kh2 s LYS 92 Cb -0.02 0.39 -0.16 0.00 -2.06 0.00 0.00 37.83 35.98 2kh2 s LYS 92 CO 0.42 -0.43 1.25 -0.22 0.10 0.00 0.00 175.35 176.46 2kh2 h LYS 93 N 2.51 -0.48 -4.57 1.78 1.63 -1.92 -3.37 116.57 112.15 2kh2 h LYS 93 Ca -0.32 0.03 -0.73 0.00 -0.85 0.00 0.00 60.65 58.79 2kh2 h LYS 93 Cb 1.23 0.11 -0.21 0.00 -0.60 0.00 0.00 32.23 32.76 2kh2 h LYS 93 CO 0.47 -0.17 0.48 0.21 -3.45 0.00 0.00 179.45 176.99 2kh2 s LYS 94 N -4.77 3.52 0.62 1.90 2.47 -1.26 -1.48 119.74 120.74 2kh2 s LYS 94 Ca -0.14 -1.94 -0.02 0.00 -1.56 0.00 0.00 55.97 52.30 2kh2 s LYS 94 Cb 0.02 -4.65 0.04 0.00 -1.46 0.00 0.00 37.83 31.78 2kh2 s LYS 94 CO 0.53 -1.58 0.88 -1.64 0.16 0.00 0.00 175.35 173.71 2kh2 s MET 95 N 1.82 2.41 0.56 4.03 -1.94 -1.26 -5.01 119.30 119.91 2kh2 s MET 95 Ca 0.25 -0.52 -0.19 0.00 -1.71 0.00 0.00 55.69 53.51 2kh2 s MET 95 Cb -0.09 -2.34 -0.05 0.00 2.01 0.00 0.00 34.83 34.36 2kh2 s MET 95 CO -0.07 -0.94 1.18 -1.21 -0.01 0.00 0.00 175.02 173.97 2kh2 s GLU 96 N -4.98 3.18 0.58 2.03 8.01 -1.26 -4.88 118.70 121.39 2kh2 s GLU 96 Ca 0.58 1.75 0.28 0.00 0.01 0.00 0.00 54.97 57.60 2kh2 s GLU 96 Cb -0.11 -2.00 1.72 0.00 -4.31 0.00 0.00 34.13 29.43 2kh2 s GLU 96 CO 0.41 -1.02 2.19 -0.22 0.01 0.00 0.00 175.26 176.63 2kh2 h LYS 97 N 1.11 0.00 0.00 1.61 1.63 -1.97 0.83 116.57 119.78 2kh2 h LYS 97 Ca -0.50 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 2kh2 h LYS 97 Cb 1.28 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 2kh2 h LYS 97 CO 0.56 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 179.45 2kh2 n ARG 98 N -3.89 0.16 -0.03 1.90 1.85 -1.26 -2.51 116.66 112.88 2kh2 n ARG 98 Ca -0.01 0.31 0.05 0.00 -1.00 0.00 0.00 57.85 57.20 2kh2 n ARG 98 Cb 0.18 -1.76 0.06 0.00 -1.05 0.00 0.00 32.46 29.89 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 -2.05 0.08 -3.41 2.89 3.72 0.26 -1.28 117.46 117.66 2kh2 n PHE 99 Ca 0.04 -0.10 -0.40 0.00 -0.05 0.00 0.00 57.45 56.94 2kh2 n PHE 99 Cb 0.27 -0.01 -0.09 0.00 -0.94 0.00 0.00 39.48 38.71 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 -0.83 5.18 0.07 -4.37 1.01 -1.04 -4.28 120.40 116.14 2kh2 s VAL 100 Ca 0.13 0.30 0.06 0.00 0.00 0.00 0.00 61.98 62.47 2kh2 s VAL 100 Cb 0.08 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2kh2 s VAL 100 CO 0.12 0.05 -0.09 -0.36 0.00 0.00 0.00 175.10 174.82 2kh2 s PHE 101 N 2.02 2.78 -0.41 5.22 0.08 0.61 -2.26 117.98 126.02 2kh2 s PHE 101 Ca 0.13 -0.13 -0.13 0.00 0.12 0.00 0.00 56.93 56.92 2kh2 s PHE 101 Cb -0.16 -1.49 0.05 0.00 -0.57 0.00 0.00 43.02 40.84 2kh2 s PHE 101 CO 0.11 0.39 0.28 -0.80 -0.10 0.00 0.00 175.22 175.11 2kh2 s ASN 102 N -1.91 5.90 -0.57 1.36 0.02 0.20 -0.21 114.94 119.73 2kh2 s ASN 102 Ca 0.20 -1.15 -0.28 0.00 -1.02 0.00 0.00 52.86 50.61 2kh2 s ASN 102 Cb -0.11 -2.09 0.03 0.00 0.02 0.00 0.00 41.25 39.10 2kh2 s ASN 102 CO 0.11 -0.49 1.25 -0.75 0.02 0.00 0.00 177.10 177.24 2kh2 s LYS 103 N 1.58 3.48 0.05 -0.60 2.20 0.19 -1.19 119.74 125.44 2kh2 s LYS 103 Ca 0.03 0.33 -0.27 0.00 -0.36 0.00 0.00 55.97 55.70 2kh2 s LYS 103 Cb -0.21 -4.03 -0.05 0.00 -1.51 0.00 0.00 37.83 32.03 2kh2 s LYS 103 CO 0.07 -1.72 0.86 0.42 -0.36 0.00 0.00 175.35 174.62 2kh2 s ILE 104 N 5.20 4.72 -0.77 5.43 1.01 0.16 -1.17 121.20 135.77 2kh2 s ILE 104 Ca 0.46 1.84 0.02 0.00 0.00 0.00 0.00 60.65 62.97 2kh2 s ILE 104 Cb -0.08 -4.21 0.34 0.00 0.01 0.00 0.00 42.46 38.51 2kh2 s ILE 104 CO 0.26 0.30 1.38 -0.62 0.00 0.00 0.00 174.94 176.26 2kh2 n GLU 105 N 3.12 4.12 0.24 2.79 -0.58 0.13 -2.33 120.64 128.12 2kh2 n GLU 105 Ca 0.01 -4.68 -0.16 0.00 -0.42 0.00 0.00 57.16 51.91 2kh2 n GLU 105 Cb 0.50 -2.33 -0.08 0.00 -0.57 0.00 0.00 31.44 28.95 2kh2 n GLU 105 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2kh2 h ILE 106 N 2.58 0.15 0.00 -3.67 3.07 -1.80 -3.45 117.51 114.39 2kh2 h ILE 106 Ca 0.33 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.74 2kh2 h ILE 106 Cb 0.43 0.15 0.00 0.00 -0.27 0.00 0.00 36.82 37.13 2kh2 h ILE 106 CO 1.01 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.65 2kh2 n ASN 107 N -5.51 0.00 -0.21 2.16 0.23 -1.26 -4.99 115.26 105.68 2kh2 n ASN 107 Ca -0.10 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.06 2kh2 n ASN 107 Cb 0.41 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.10 2kh2 n ASN 107 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2kh2 n ASN 108 N 0.00 1.36 -4.51 0.53 5.03 -1.26 -4.89 115.26 111.52 2kh2 n ASN 108 Ca 0.00 -1.13 -0.32 0.00 0.87 0.00 0.00 54.58 54.00 2kh2 n ASN 108 Cb 0.00 0.67 -0.12 0.00 -1.02 0.00 0.00 39.78 39.31 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2kh2 s LYS 109 N -2.76 2.42 -0.07 3.52 -0.14 -1.26 -4.90 119.74 116.55 2kh2 s LYS 109 Ca 0.14 -0.77 0.01 0.00 -1.36 0.00 0.00 55.97 53.99 2kh2 s LYS 109 Cb 0.17 -2.38 -0.03 0.00 -1.68 0.00 0.00 37.83 33.92 2kh2 s LYS 109 CO 0.71 0.60 -0.07 -0.51 -0.76 0.00 0.00 175.35 175.32 2kh2 s LEU 110 N -1.10 3.15 0.09 3.17 1.43 -0.27 -3.96 118.68 121.19 2kh2 s LEU 110 Ca 0.14 -0.03 0.09 0.00 -1.03 0.00 0.00 54.13 53.30 2kh2 s LEU 110 Cb -0.11 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 2kh2 s LEU 110 CO 0.04 0.36 -0.22 -1.61 0.23 0.00 0.00 176.35 175.14 2kh2 s GLU 111 N -0.79 1.75 -0.30 1.70 2.02 -0.98 0.02 118.70 122.11 2kh2 s GLU 111 Ca 0.12 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 53.95 2kh2 s GLU 111 Cb -0.11 -2.05 0.06 0.00 0.10 0.00 0.00 34.13 32.14 2kh2 s GLU 111 CO 0.01 0.49 -0.01 -0.06 0.02 0.00 0.00 175.26 175.71 2kh2 s PHE 112 N -1.00 3.33 0.02 1.61 0.08 -1.26 0.36 117.98 121.12 2kh2 s PHE 112 Ca 0.15 -2.15 -0.07 0.00 0.12 0.00 0.00 56.93 54.98 2kh2 s PHE 112 Cb -0.10 -2.22 -0.05 0.00 -0.57 0.00 0.00 43.02 40.08 2kh2 s PHE 112 CO 0.06 -0.85 0.29 -2.00 -0.10 0.00 0.00 175.22 172.62 2kh2 s GLU 113 N 1.17 3.61 -0.01 0.44 2.12 -0.34 -1.02 118.70 124.68 2kh2 s GLU 113 Ca -0.04 -0.03 -0.29 0.00 0.36 0.00 0.00 54.97 54.98 2kh2 s GLU 113 Cb -0.20 -3.07 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 2kh2 s GLU 113 CO -0.03 0.64 0.92 0.45 -0.54 0.00 0.00 175.26 176.70 2kh2 s SER 114 N -1.69 7.30 0.15 -1.70 0.15 0.21 0.60 113.70 118.72 2kh2 s SER 114 Ca 0.28 1.57 -0.10 0.00 0.70 0.00 0.00 55.95 58.40 2kh2 s SER 114 Cb -0.13 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.62 2kh2 s SER 114 CO 0.16 -0.22 1.49 0.00 1.20 0.00 0.00 173.24 175.86 2kh2 h ALA 115 N 6.74 0.60 -0.16 5.45 0.00 -1.69 -3.06 119.26 127.14 2kh2 h ALA 115 Ca -0.41 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 53.93 2kh2 h ALA 115 Cb 1.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2kh2 h ALA 115 CO 0.75 0.68 -0.39 0.37 0.00 0.00 0.00 179.25 180.65 2kh2 h GLN 116 N 0.75 0.35 -3.59 0.00 5.75 -1.78 -3.38 115.11 113.20 2kh2 h GLN 116 Ca 0.06 -0.17 -0.63 0.00 -0.15 0.00 0.00 58.65 57.76 2kh2 h GLN 116 Cb 0.97 -0.00 -0.40 0.00 1.07 0.00 0.00 27.48 29.12 2kh2 h GLN 116 CO 0.09 0.70 -0.69 -0.06 -2.65 0.00 0.00 178.83 176.22 2kh2 s PHE 117 N -4.20 2.81 0.43 3.99 0.08 -1.16 -5.11 117.98 114.82 2kh2 s PHE 117 Ca -0.06 -2.76 -0.26 0.00 0.12 0.00 0.00 56.93 53.98 2kh2 s PHE 117 Cb 0.13 -2.46 -0.08 0.00 -0.57 0.00 0.00 43.02 40.04 2kh2 s PHE 117 CO 0.79 -0.82 1.39 -2.14 -0.10 0.00 0.00 175.22 174.34 2kh2 s PRO 118 N 0.38 3.79 0.00 0.24 0.02 -1.21 -2.35 135.00 135.87 2kh2 s PRO 118 Ca 0.15 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.51 2kh2 s PRO 118 Cb -0.23 -2.70 0.00 0.00 0.02 0.00 0.00 34.50 31.59 2kh2 s PRO 118 CO -0.05 -0.70 0.00 0.09 -0.33 0.00 0.00 177.00 176.01 2kh2 n ASN 119 N -0.07 -0.59 -4.32 2.53 5.03 -1.26 -4.98 115.26 111.60 2kh2 n ASN 119 Ca 0.04 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.11 2kh2 n ASN 119 Cb 0.42 -0.61 -0.12 0.00 -1.02 0.00 0.00 39.78 38.46 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 -3.13 3.23 0.22 3.10 0.52 -0.99 -4.39 118.94 117.50 2kh2 s TRP 120 Ca 0.00 -1.20 0.08 0.00 0.02 0.00 0.00 56.10 54.99 2kh2 s TRP 120 Cb 0.00 -2.32 -0.04 0.00 -1.15 0.00 0.00 33.47 29.96 2kh2 s TRP 120 CO 0.00 -0.67 0.04 0.71 0.02 0.00 0.00 176.95 177.05 2kh2 s TYR 121 N 1.46 2.86 -0.12 -1.98 2.02 0.31 -0.62 117.35 121.28 2kh2 s TYR 121 Ca 0.00 -0.15 -0.29 0.00 -0.37 0.00 0.00 57.07 56.25 2kh2 s TYR 121 Cb -0.19 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 2kh2 s TYR 121 CO 0.04 0.55 1.57 0.42 -1.57 0.00 0.00 175.55 176.56 2kh2 s ILE 122 N -2.00 3.74 0.21 2.71 1.01 -0.19 -0.17 121.20 126.52 2kh2 s ILE 122 Ca 0.30 0.88 0.11 0.00 0.00 0.00 0.00 60.65 61.95 2kh2 s ILE 122 Cb -0.08 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 2kh2 s ILE 122 CO 0.20 -0.14 -0.23 -0.44 0.00 0.00 0.00 174.94 174.33 2kh2 s SER 123 N 3.38 3.50 0.07 3.58 0.01 0.55 -4.58 113.70 120.21 2kh2 s SER 123 Ca 0.69 -0.89 0.06 0.00 1.31 0.00 0.00 55.95 57.13 2kh2 s SER 123 Cb -0.29 -0.28 -0.03 0.00 0.21 0.00 0.00 66.02 65.63 2kh2 s SER 123 CO 0.27 0.10 -0.17 0.42 0.41 0.00 0.00 173.24 174.27 2kh2 s THR 124 N -1.84 1.38 0.49 1.44 -4.23 -0.31 -2.00 115.64 110.57 2kh2 s THR 124 Ca 0.23 -1.33 -0.11 0.00 -1.18 0.00 0.00 61.69 59.30 2kh2 s THR 124 Cb -0.07 -1.27 -0.06 0.00 1.34 0.00 0.00 72.50 72.44 2kh2 s THR 124 CO 0.11 -0.09 0.87 -0.44 -0.54 0.00 0.00 174.62 174.53 2kh2 s SER 125 N -1.65 6.42 0.12 3.99 0.01 -1.26 0.47 113.70 121.80 2kh2 s SER 125 Ca 0.02 1.23 -0.15 0.00 1.31 0.00 0.00 55.95 58.36 2kh2 s SER 125 Cb -0.10 -2.37 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 2kh2 s SER 125 CO 0.03 -0.57 1.59 1.56 0.41 0.00 0.00 173.24 176.26 2kh2 h GLN 126 N 0.63 0.66 -7.09 12.44 1.08 -1.95 -3.45 115.11 117.43 2kh2 h GLN 126 Ca -0.46 -0.19 -0.54 0.00 -1.45 0.00 0.00 58.65 56.01 2kh2 h GLN 126 Cb 1.19 -0.07 0.13 0.00 -0.05 0.00 0.00 27.48 28.68 2kh2 h GLN 126 CO 0.62 0.72 0.51 0.00 -0.95 0.00 0.00 178.83 179.73 2kh2 s ALA 127 N -5.14 2.54 0.48 3.87 0.00 -1.26 -5.00 121.76 117.24 2kh2 s ALA 127 Ca -0.13 1.12 -0.19 0.00 0.00 0.00 0.00 51.96 52.76 2kh2 s ALA 127 Cb 0.10 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 2kh2 s ALA 127 CO 0.78 -1.33 0.98 -2.00 0.00 0.00 0.00 175.76 174.19 2kh2 s GLU 128 N -3.27 4.03 -0.91 0.00 2.56 -1.26 -3.79 118.70 116.06 2kh2 s GLU 128 Ca 0.78 1.10 0.00 0.00 0.00 0.00 0.00 54.97 56.85 2kh2 s GLU 128 Cb -0.34 -2.15 0.00 0.00 2.00 0.00 0.00 34.13 33.64 2kh2 s GLU 128 CO 0.37 -0.21 0.00 -1.71 -0.56 0.00 0.00 175.26 173.16 2kh2 n ASN 129 N -1.08 -3.82 -4.88 -1.70 5.15 -1.13 -5.02 115.26 102.79 2kh2 n ASN 129 Ca 0.07 0.16 -0.37 0.00 -0.60 0.00 0.00 54.58 53.84 2kh2 n ASN 129 Cb 0.54 -2.41 -0.06 0.00 -0.53 0.00 0.00 39.78 37.32 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 -3.26 3.46 1.08 1.20 -1.94 -1.24 -4.88 119.30 113.72 2kh2 s MET 130 Ca 0.00 -0.11 -0.15 0.00 -1.71 0.00 0.00 55.69 53.72 2kh2 s MET 130 Cb 0.00 -3.19 0.23 0.00 2.01 0.00 0.00 34.83 33.88 2kh2 s MET 130 CO 0.00 0.77 1.10 -2.14 -0.01 0.00 0.00 175.02 174.74 2kh2 s PRO 131 N -1.08 -0.24 -0.14 2.03 0.02 -1.26 -0.49 135.00 133.84 2kh2 s PRO 131 Ca 0.16 0.28 -0.06 0.00 0.02 0.00 0.00 61.00 61.41 2kh2 s PRO 131 Cb -0.12 -1.68 -0.04 0.00 0.02 0.00 0.00 34.50 32.68 2kh2 s PRO 131 CO 0.05 -3.13 0.06 0.08 -0.33 0.00 0.00 177.00 173.73 2kh2 s VAL 132 N -2.98 4.83 0.35 3.83 1.01 -0.07 -4.32 120.40 123.05 2kh2 s VAL 132 Ca 0.67 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.66 2kh2 s VAL 132 Cb -0.15 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 2kh2 s VAL 132 CO 0.57 0.55 0.37 0.72 0.00 0.00 0.00 175.10 177.30 2kh2 s PHE 133 N -0.37 1.56 -0.26 5.22 -0.71 -0.85 -4.84 117.98 117.73 2kh2 s PHE 133 Ca 0.09 -1.56 -0.15 0.00 -1.04 0.00 0.00 56.93 54.26 2kh2 s PHE 133 Cb -0.12 -0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 41.16 2kh2 s PHE 133 CO 0.02 -1.00 0.39 -1.17 -1.34 0.00 0.00 175.22 172.12 2kh2 s LEU 134 N -3.34 4.06 -0.10 -1.99 2.96 -1.26 -0.33 118.68 118.67 2kh2 s LEU 134 Ca 0.37 0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 54.63 2kh2 s LEU 134 Cb 0.01 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 2kh2 s LEU 134 CO 0.26 -0.18 -0.06 -0.83 -1.32 0.00 0.00 176.35 174.23 2kh2 s GLY 135 N 1.53 1.70 0.00 7.98 0.00 0.77 -4.89 107.32 114.41 2kh2 s GLY 135 Ca 0.16 -0.86 0.20 0.00 0.00 0.00 0.00 44.72 44.22 2kh2 s GLY 135 CO 0.09 -0.46 1.28 0.61 0.00 0.00 0.00 173.10 174.63 2kh2 n GLY 136 N 2.68 1.46 2.86 0.20 0.00 -1.26 -0.53 105.19 110.60 2kh2 n GLY 136 Ca -0.18 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.40 2.25 0.41 2.61 2.01 -1.26 -4.81 115.64 115.44 2kh2 s THR 137 Ca 0.32 -3.24 -0.23 0.00 0.31 0.00 0.00 61.69 58.85 2kh2 s THR 137 Cb 0.19 -2.55 -0.09 0.00 0.01 0.00 0.00 72.50 70.06 2kh2 s THR 137 CO 0.27 -0.87 1.05 -0.75 -0.69 0.00 0.00 174.62 173.63 2kh2 s LYS 138 N -0.28 4.12 0.00 4.92 2.20 -1.26 -3.47 119.74 125.98 2kh2 s LYS 138 Ca 0.19 1.49 0.00 0.00 -0.36 0.00 0.00 55.97 57.28 2kh2 s LYS 138 Cb -0.22 -2.48 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 2kh2 s LYS 138 CO -0.03 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.20 2kh2 n GLY 139 N 0.25 0.51 0.00 5.54 0.00 -1.26 -5.02 105.19 105.22 2kh2 n GLY 139 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.93 0.88 0.11 -0.02 0.00 -1.23 -5.01 105.19 97.00 2kh2 n GLY 140 Ca 0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 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 0.19 -7.25 1.61 7.50 -1.95 -3.47 115.11 111.74 2kh2 h GLN 141 Ca 0.00 -0.32 -0.51 0.00 0.50 0.00 0.00 58.65 58.31 2kh2 h GLN 141 Cb 0.00 0.12 0.12 0.00 0.05 0.00 0.00 27.48 27.77 2kh2 h GLN 141 CO 0.00 1.16 0.34 -0.51 -1.50 0.00 0.00 178.83 178.32 2kh2 s ASP 142 N -6.91 4.67 -0.14 1.46 1.01 -1.26 -4.56 116.67 110.94 2kh2 s ASP 142 Ca -0.20 1.97 -0.20 0.00 0.71 0.00 0.00 52.55 54.82 2kh2 s ASP 142 Cb 0.03 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 2kh2 s ASP 142 CO 0.74 -1.93 0.57 -0.63 0.21 0.00 0.00 175.17 174.14 2kh2 s ILE 143 N -2.56 5.10 -1.13 0.77 1.01 0.18 -4.64 121.20 119.93 2kh2 s ILE 143 Ca 0.65 1.13 0.12 0.00 0.00 0.00 0.00 60.65 62.55 2kh2 s ILE 143 Cb -0.20 -3.91 0.28 0.00 0.01 0.00 0.00 42.46 38.64 2kh2 s ILE 143 CO 0.48 0.23 1.18 0.35 0.00 0.00 0.00 174.94 177.19 2kh2 n THR 144 N 4.09 0.76 -4.31 2.92 -2.24 -1.26 -1.17 114.28 113.07 2kh2 n THR 144 Ca -0.04 -0.88 -0.23 0.00 -2.27 0.00 0.00 64.05 60.63 2kh2 n THR 144 Cb 0.51 0.68 -0.12 0.00 -2.10 0.00 0.00 70.33 69.30 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 -1.00 2.62 0.18 3.42 -4.77 -1.26 -4.42 116.67 111.43 2kh2 s ASP 145 Ca 0.23 -0.79 -0.00 0.00 -3.30 0.00 0.00 52.55 48.68 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 0.17 0.00 0.09 -0.36 0.70 0.00 0.00 175.17 175.76 2kh2 s PHE 146 N -1.69 1.09 0.22 2.11 0.08 0.10 -4.05 117.98 115.85 2kh2 s PHE 146 Ca 0.12 -1.27 0.07 0.00 0.12 0.00 0.00 56.93 55.97 2kh2 s PHE 146 Cb -0.07 -0.58 -0.04 0.00 -0.57 0.00 0.00 43.02 41.76 2kh2 s PHE 146 CO 0.06 -0.52 0.12 0.95 -0.10 0.00 0.00 175.22 175.73 2kh2 s THR 147 N -4.02 4.19 -0.14 0.64 -4.23 0.12 -1.11 115.64 111.09 2kh2 s THR 147 Ca 0.32 -1.42 0.01 0.00 -1.18 0.00 0.00 61.69 59.42 2kh2 s THR 147 Cb 0.07 -3.21 0.02 0.00 1.34 0.00 0.00 72.50 70.72 2kh2 s THR 147 CO 0.07 -0.27 -0.17 -0.32 -0.54 0.00 0.00 174.62 173.40 2kh2 s MET 148 N -3.53 2.49 -0.23 3.99 1.75 -1.26 -3.43 119.30 119.08 2kh2 s MET 148 Ca 0.31 -0.64 0.00 0.00 -1.25 0.00 0.00 55.69 54.11 2kh2 s MET 148 Cb -0.08 -2.17 0.06 0.00 2.84 0.00 0.00 34.83 35.48 2kh2 s MET 148 CO 0.23 -0.15 -0.03 -0.65 -0.65 0.00 0.00 175.02 173.76 2kh2 s GLN 149 N 1.23 1.43 0.27 4.11 1.11 -0.97 -4.97 119.66 121.86 2kh2 s GLN 149 Ca 0.00 -0.90 -0.30 0.00 0.01 0.00 0.00 55.36 54.17 2kh2 s GLN 149 Cb -0.14 -2.50 -0.09 0.00 -1.01 0.00 0.00 33.01 29.27 2kh2 s GLN 149 CO -0.07 -0.62 1.03 -0.06 0.01 0.00 0.00 175.29 175.58 2kh2 s PHE 150 N 1.48 3.75 0.51 0.91 0.08 -1.26 -0.24 117.98 123.21 2kh2 s PHE 150 Ca -0.04 1.79 0.08 0.00 0.12 0.00 0.00 56.93 58.88 2kh2 s PHE 150 Cb -0.19 -3.15 0.04 0.00 -0.57 0.00 0.00 43.02 39.15 2kh2 s PHE 150 CO -0.07 -0.12 0.56 0.14 -0.10 0.00 0.00 175.22 175.62 2kh2 s VAL 151 N -1.18 2.20 -1.47 -0.44 -7.23 -0.35 -4.94 120.40 106.99 2kh2 s VAL 151 Ca 0.43 -1.22 -0.11 0.00 -1.81 0.00 0.00 61.98 59.27 2kh2 s VAL 151 Cb -0.29 -2.43 -0.06 0.00 0.56 0.00 0.00 36.38 34.16 2kh2 s VAL 151 CO 0.37 0.00 2.67 -1.54 -0.31 0.00 0.00 175.10 176.29 2kh2 n SER 152 N -1.90 7.04 0.00 4.85 3.41 -1.26 -4.82 113.62 120.93 2kh2 n SER 152 Ca 0.07 -2.60 0.00 0.00 -0.26 0.00 0.00 58.87 56.08 2kh2 n SER 152 Cb 0.62 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68