#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 0.29 -5.04 0.00 0.11 -2.06 -3.42 132.00 121.88 2kh2 h PRO 2 Ca 0.00 -0.17 -0.66 0.00 0.11 0.00 0.00 66.00 65.28 2kh2 h PRO 2 Cb 0.00 0.01 -0.32 0.00 0.11 0.00 0.00 31.00 30.81 2kh2 h PRO 2 CO 0.00 0.72 -0.80 0.54 -0.21 0.00 0.00 178.00 178.26 2kh2 s VAL 3 N -4.20 2.67 0.16 3.15 0.11 -1.26 -5.08 120.40 115.94 2kh2 s VAL 3 Ca -0.14 -0.73 -0.17 0.00 -2.93 0.00 0.00 61.98 58.00 2kh2 s VAL 3 Cb 0.04 -2.17 -0.07 0.00 -1.53 0.00 0.00 36.38 32.65 2kh2 s VAL 3 CO 0.74 0.49 0.62 -0.13 -3.33 0.00 0.00 175.10 173.49 2kh2 s ARG 4 N 1.35 4.12 -0.07 1.54 0.52 -1.26 -4.96 118.95 120.19 2kh2 s ARG 4 Ca 0.05 0.67 -0.14 0.00 -0.52 0.00 0.00 55.73 55.79 2kh2 s ARG 4 Cb -0.14 -2.96 0.03 0.00 0.52 0.00 0.00 34.95 32.40 2kh2 s ARG 4 CO -0.08 0.47 0.33 -1.12 0.02 0.00 0.00 175.30 174.92 2kh2 s SER 5 N -1.60 -0.27 0.30 0.23 0.01 -1.26 -0.82 113.70 110.29 2kh2 s SER 5 Ca 0.38 0.37 0.04 0.00 1.31 0.00 0.00 55.95 58.05 2kh2 s SER 5 Cb -0.16 0.49 -0.06 0.00 0.21 0.00 0.00 66.02 66.50 2kh2 s SER 5 CO 0.20 -0.30 0.04 -1.48 0.41 0.00 0.00 173.24 172.11 2kh2 s LEU 6 N -0.65 2.18 -0.06 2.44 0.05 -0.30 -4.93 118.68 117.42 2kh2 s LEU 6 Ca -0.07 -1.33 0.05 0.00 0.05 0.00 0.00 54.13 52.82 2kh2 s LEU 6 Cb -0.04 -0.37 -0.02 0.00 -2.05 0.00 0.00 46.19 43.72 2kh2 s LEU 6 CO 0.03 -0.57 -0.21 0.20 -0.55 0.00 0.00 176.35 175.24 2kh2 s ASN 7 N -3.44 3.42 0.12 1.48 0.01 -1.26 0.65 114.94 115.91 2kh2 s ASN 7 Ca 0.35 -0.40 -0.11 0.00 -0.71 0.00 0.00 52.86 51.99 2kh2 s ASN 7 Cb 0.08 -0.87 0.01 0.00 0.41 0.00 0.00 41.25 40.87 2kh2 s ASN 7 CO 0.14 0.27 0.27 0.00 -1.51 0.00 0.00 177.10 176.27 2kh2 s THR 9 N -3.87 2.44 -0.10 0.00 2.01 0.36 -1.46 115.64 115.02 2kh2 s THR 9 Ca 0.07 -0.91 -0.12 0.00 0.31 0.00 0.00 61.69 61.04 2kh2 s THR 9 Cb 0.04 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 2kh2 s THR 9 CO -0.09 0.56 0.29 -0.76 -0.69 0.00 0.00 174.62 173.93 2kh2 s LEU 10 N -0.00 4.36 -0.04 4.42 1.43 -1.26 -2.44 118.68 125.14 2kh2 s LEU 10 Ca -0.07 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 53.69 2kh2 s LEU 10 Cb -0.15 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.73 2kh2 s LEU 10 CO 0.05 0.26 -0.02 -0.13 0.23 0.00 0.00 176.35 176.73 2kh2 s ARG 11 N -0.44 0.62 0.68 1.70 0.52 -1.26 -4.16 118.95 116.60 2kh2 s ARG 11 Ca 0.18 -0.02 -0.11 0.00 -0.52 0.00 0.00 55.73 55.25 2kh2 s ARG 11 Cb -0.14 -0.71 0.16 0.00 0.52 0.00 0.00 34.95 34.78 2kh2 s ARG 11 CO 0.07 -0.11 0.87 -0.40 0.02 0.00 0.00 175.30 175.74 2kh2 n ASP 12 N 4.15 -0.18 0.09 0.23 5.68 -1.15 -1.84 116.55 123.54 2kh2 n ASP 12 Ca -0.24 -1.27 0.09 0.00 -0.50 0.00 0.00 54.79 52.86 2kh2 n ASP 12 Cb 0.51 -0.68 0.40 0.00 -1.14 0.00 0.00 41.12 40.21 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 -3.67 0.39 -1.03 -1.12 3.41 -1.25 -0.96 113.62 109.39 2kh2 n SER 13 Ca 0.11 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.47 2kh2 n SER 13 Cb 0.39 -0.71 0.16 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.98 2.34 -2.18 4.33 1.13 -1.26 -4.95 117.38 114.82 2kh2 n GLN 14 Ca 0.01 -2.08 -0.13 0.00 -1.94 0.00 0.00 57.00 52.85 2kh2 n GLN 14 Cb 0.11 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 28.98 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 1.38 -1.05 -2.72 -1.09 1.13 -0.14 -4.95 117.38 109.94 2kh2 n GLN 15 Ca 0.16 0.67 -0.31 0.00 -1.94 0.00 0.00 57.00 55.59 2kh2 n GLN 15 Cb 0.59 -4.90 -0.03 0.00 0.11 0.00 0.00 30.24 26.01 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 -4.54 3.79 0.29 -1.09 1.02 -1.26 -4.17 119.74 113.78 2kh2 s LYS 16 Ca 0.00 0.56 0.11 0.00 0.02 0.00 0.00 55.97 56.66 2kh2 s LYS 16 Cb 0.00 -2.33 -0.05 0.00 -0.52 0.00 0.00 37.83 34.93 2kh2 s LYS 16 CO 0.00 -0.11 -0.16 -1.12 -0.92 0.00 0.00 175.35 173.04 2kh2 s SER 17 N -3.22 3.48 -0.20 2.83 0.01 0.79 -2.93 113.70 114.45 2kh2 s SER 17 Ca 0.53 -1.08 -0.13 0.00 1.31 0.00 0.00 55.95 56.57 2kh2 s SER 17 Cb -0.10 -0.29 -0.05 0.00 0.21 0.00 0.00 66.02 65.79 2kh2 s SER 17 CO 0.33 -0.07 0.27 -0.76 0.41 0.00 0.00 173.24 173.42 2kh2 s LEU 18 N -3.51 4.17 0.12 2.44 1.43 -1.26 -1.03 118.68 121.04 2kh2 s LEU 18 Ca 0.30 0.35 0.08 0.00 -1.03 0.00 0.00 54.13 53.83 2kh2 s LEU 18 Cb -0.02 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 2kh2 s LEU 18 CO 0.14 0.04 -0.19 0.68 0.23 0.00 0.00 176.35 177.26 2kh2 s VAL 19 N 0.92 1.66 -0.39 -1.59 -7.23 0.78 -1.05 120.40 113.51 2kh2 s VAL 19 Ca 0.14 -1.67 -0.26 0.00 -1.81 0.00 0.00 61.98 58.37 2kh2 s VAL 19 Cb -0.13 -1.61 0.02 0.00 0.56 0.00 0.00 36.38 35.21 2kh2 s VAL 19 CO 0.05 -0.20 0.97 -0.04 -0.31 0.00 0.00 175.10 175.57 2kh2 s MET 20 N -2.28 3.82 0.00 4.82 -1.94 -1.26 -0.68 119.30 121.79 2kh2 s MET 20 Ca 0.09 0.58 0.00 0.00 -1.71 0.00 0.00 55.69 54.65 2kh2 s MET 20 Cb -0.08 -3.82 0.00 0.00 2.01 0.00 0.00 34.83 32.94 2kh2 s MET 20 CO 0.05 -1.02 0.00 0.45 -0.01 0.00 0.00 175.02 174.48 2kh2 n SER 21 N 6.95 0.00 -1.94 3.03 2.88 0.71 -4.96 113.62 120.29 2kh2 n SER 21 Ca 0.08 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 2kh2 n SER 21 Cb 0.48 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 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 2.14 3.29 0.29 0.46 0.00 -1.17 -4.95 105.19 105.25 2kh2 n GLY 22 Ca 0.00 -2.17 0.04 0.00 0.00 0.00 0.00 46.02 43.89 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 0.40 -0.34 1.61 0.13 -2.04 -2.99 132.00 128.77 2kh2 h PRO 23 Ca 0.00 -0.03 -0.27 0.00 -0.87 0.00 0.00 66.00 64.83 2kh2 h PRO 23 Cb 0.00 -0.09 -0.31 0.00 0.13 0.00 0.00 31.00 30.74 2kh2 h PRO 23 CO 0.00 0.30 -0.85 0.66 -0.23 0.00 0.00 178.00 177.88 2kh2 n TYR 24 N -4.46 1.18 -4.12 1.56 4.02 -1.26 -5.05 117.16 109.02 2kh2 n TYR 24 Ca 0.01 -1.69 -0.18 0.00 -0.01 0.00 0.00 57.90 56.03 2kh2 n TYR 24 Cb 0.09 -0.26 -0.16 0.00 -0.02 0.00 0.00 39.34 39.00 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 -2.88 0.61 -0.05 -0.72 2.12 -1.13 -4.69 118.70 111.96 2kh2 s GLU 25 Ca 0.39 -0.09 0.06 0.00 0.36 0.00 0.00 54.97 55.69 2kh2 s GLU 25 Cb 0.37 -0.65 -0.01 0.00 0.26 0.00 0.00 34.13 34.10 2kh2 s GLU 25 CO -0.05 -0.03 -0.24 -0.51 -0.54 0.00 0.00 175.26 173.88 2kh2 s LEU 26 N 0.64 2.05 0.13 2.70 1.43 -1.26 -0.21 118.68 124.16 2kh2 s LEU 26 Ca -0.08 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 52.62 2kh2 s LEU 26 Cb -0.11 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 2kh2 s LEU 26 CO -0.00 0.25 -0.19 -0.54 0.23 0.00 0.00 176.35 176.10 2kh2 s LYS 27 N -0.26 1.17 -0.16 1.70 1.02 0.15 -2.54 119.74 120.82 2kh2 s LYS 27 Ca -0.00 -1.26 -0.00 0.00 0.02 0.00 0.00 55.97 54.73 2kh2 s LYS 27 Cb -0.12 -1.34 -0.00 0.00 -0.52 0.00 0.00 37.83 35.85 2kh2 s LYS 27 CO 0.02 0.29 -0.14 0.00 -0.92 0.00 0.00 175.35 174.61 2kh2 s ALA 28 N -1.56 2.54 0.11 5.17 0.00 0.11 -0.15 121.76 127.98 2kh2 s ALA 28 Ca 0.10 -1.06 -0.19 0.00 0.00 0.00 0.00 51.96 50.81 2kh2 s ALA 28 Cb -0.08 -1.29 0.05 0.00 0.00 0.00 0.00 23.12 21.80 2kh2 s ALA 28 CO 0.05 -0.08 0.47 -0.48 0.00 0.00 0.00 175.76 175.73 2kh2 s LEU 29 N 0.88 0.08 0.22 0.00 0.05 -0.20 -3.14 118.68 116.57 2kh2 s LEU 29 Ca -0.04 -0.11 -0.32 0.00 0.05 0.00 0.00 54.13 53.72 2kh2 s LEU 29 Cb -0.15 2.06 -0.13 0.00 -2.05 0.00 0.00 46.19 45.91 2kh2 s LEU 29 CO -0.01 -0.83 1.47 1.41 -0.55 0.00 0.00 176.35 177.85 2kh2 n HIS 30 N -0.05 2.24 -3.64 3.48 8.25 -1.26 -0.15 115.22 124.09 2kh2 n HIS 30 Ca -0.17 0.37 -0.20 0.00 -0.26 0.00 0.00 57.72 57.46 2kh2 n HIS 30 Cb 0.63 -2.49 -0.17 0.00 1.12 0.00 0.00 29.99 29.08 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 0.33 0.09 -0.33 2.41 2.96 -1.26 -4.84 118.68 118.04 2kh2 s LEU 31 Ca 0.71 -0.02 0.15 0.00 -0.22 0.00 0.00 54.13 54.76 2kh2 s LEU 31 Cb -0.65 0.02 0.43 0.00 0.50 0.00 0.00 46.19 46.49 2kh2 s LEU 31 CO 0.46 -0.28 1.47 0.00 -1.32 0.00 0.00 176.35 176.68 2kh2 n GLN 32 N 5.31 1.43 0.00 1.98 1.13 -1.26 -4.90 117.38 121.06 2kh2 n GLN 32 Ca -0.05 -1.62 0.00 0.00 -1.94 0.00 0.00 57.00 53.39 2kh2 n GLN 32 Cb 0.50 0.07 0.00 0.00 0.11 0.00 0.00 30.24 30.91 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 -1.37 4.46 0.00 1.08 0.00 -1.26 -5.00 105.19 103.09 2kh2 n GLY 33 Ca -0.13 -1.15 0.10 0.00 0.00 0.00 0.00 46.02 44.83 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 0.53 -0.17 1.61 -0.06 -1.26 -2.07 117.38 115.96 2kh2 n GLN 34 Ca 0.00 0.03 0.10 0.00 -2.00 0.00 0.00 57.00 55.13 2kh2 n GLN 34 Cb 0.00 -1.50 0.27 0.00 -4.06 0.00 0.00 30.24 24.95 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 -1.08 2.53 0.29 1.69 5.75 -1.26 -4.23 116.55 120.24 2kh2 n ASP 35 Ca 0.13 -1.89 0.13 0.00 -0.01 0.00 0.00 54.79 53.15 2kh2 n ASP 35 Cb 0.09 -0.23 0.84 0.00 -1.03 0.00 0.00 41.12 40.80 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 3.12 0.00 0.00 0.11 4.05 -1.81 -2.22 114.93 118.17 2kh2 h MET 36 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kh2 h MET 36 Cb 0.69 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.49 2kh2 h MET 36 CO 0.00 0.01 0.00 0.39 0.23 0.00 0.00 176.91 177.54 2kh2 n GLU 37 N -4.01 0.05 0.00 0.39 -0.58 -1.26 -1.17 120.64 114.06 2kh2 n GLU 37 Ca -0.03 0.28 0.13 0.00 -0.42 0.00 0.00 57.16 57.12 2kh2 n GLU 37 Cb 0.09 -1.50 0.42 0.00 -0.57 0.00 0.00 31.44 29.88 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 -1.33 1.16 -2.27 3.49 6.02 -0.83 -4.91 117.38 118.70 2kh2 n GLN 38 Ca 0.02 -0.69 -0.39 0.00 -0.01 0.00 0.00 57.00 55.93 2kh2 n GLN 38 Cb 0.04 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.79 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 -2.32 4.27 -0.02 -1.09 -2.07 -0.31 -4.09 119.66 114.04 2kh2 s GLN 39 Ca 0.29 1.96 -0.14 0.00 -1.82 0.00 0.00 55.36 55.65 2kh2 s GLN 39 Cb 0.20 -2.91 -0.05 0.00 -1.09 0.00 0.00 33.01 29.15 2kh2 s GLN 39 CO 0.45 -0.17 0.39 0.08 -1.32 0.00 0.00 175.29 174.73 2kh2 s VAL 40 N -1.27 5.07 -0.14 3.63 1.01 -0.21 -4.99 120.40 123.50 2kh2 s VAL 40 Ca 0.52 0.80 -0.02 0.00 0.00 0.00 0.00 61.98 63.28 2kh2 s VAL 40 Cb -0.34 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2kh2 s VAL 40 CO 0.44 0.56 -0.08 -0.69 0.00 0.00 0.00 175.10 175.34 2kh2 s VAL 41 N -0.95 3.54 -0.14 2.92 1.01 -1.26 -4.68 120.40 120.84 2kh2 s VAL 41 Ca 0.23 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 2kh2 s VAL 41 Cb -0.16 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 2kh2 s VAL 41 CO 0.12 0.52 0.05 -0.36 0.00 0.00 0.00 175.10 175.43 2kh2 s PHE 42 N 0.23 3.28 -0.21 5.22 0.08 -0.54 -1.16 117.98 124.87 2kh2 s PHE 42 Ca -0.05 0.17 -0.25 0.00 0.12 0.00 0.00 56.93 56.92 2kh2 s PHE 42 Cb -0.15 -1.96 -0.01 0.00 -0.57 0.00 0.00 43.02 40.34 2kh2 s PHE 42 CO 0.04 0.35 0.85 -1.12 -0.10 0.00 0.00 175.22 175.24 2kh2 s SER 43 N -0.28 6.91 -0.48 1.36 0.01 0.85 -1.90 113.70 120.16 2kh2 s SER 43 Ca 0.08 1.12 -0.13 0.00 1.31 0.00 0.00 55.95 58.33 2kh2 s SER 43 Cb -0.12 -2.45 0.10 0.00 0.21 0.00 0.00 66.02 63.75 2kh2 s SER 43 CO 0.02 -0.49 0.39 -0.32 0.41 0.00 0.00 173.24 173.25 2kh2 s MET 44 N 2.62 2.84 0.05 12.44 1.75 0.21 -3.06 119.30 136.16 2kh2 s MET 44 Ca 0.37 -1.53 -0.15 0.00 -1.25 0.00 0.00 55.69 53.13 2kh2 s MET 44 Cb -0.16 -4.08 -0.06 0.00 2.84 0.00 0.00 34.83 33.37 2kh2 s MET 44 CO 0.09 -1.12 0.47 -1.12 -0.65 0.00 0.00 175.02 172.70 2kh2 s SER 45 N 2.78 6.86 -1.05 1.11 0.01 -1.21 -1.15 113.70 121.06 2kh2 s SER 45 Ca 0.04 1.05 -0.21 0.00 1.31 0.00 0.00 55.95 58.13 2kh2 s SER 45 Cb -0.26 -2.28 0.08 0.00 0.21 0.00 0.00 66.02 63.77 2kh2 s SER 45 CO 0.04 0.26 1.42 -0.36 0.41 0.00 0.00 173.24 175.00 2kh2 s PHE 46 N -1.19 2.74 0.57 2.43 0.08 -0.00 -2.61 117.98 120.00 2kh2 s PHE 46 Ca 0.29 -1.13 -0.07 0.00 0.12 0.00 0.00 56.93 56.14 2kh2 s PHE 46 Cb -0.17 -4.60 0.13 0.00 -0.57 0.00 0.00 43.02 37.81 2kh2 s PHE 46 CO 0.16 -1.80 0.78 1.33 -0.10 0.00 0.00 175.22 175.60 2kh2 n VAL 47 N 6.41 0.00 -4.08 -0.44 0.24 -1.21 -4.69 118.33 114.55 2kh2 n VAL 47 Ca 0.33 -0.74 -0.30 0.00 -2.04 0.00 0.00 64.34 61.59 2kh2 n VAL 47 Cb 0.50 -1.50 -0.07 0.00 -1.47 0.00 0.00 33.84 31.30 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 -4.62 2.77 0.00 7.34 2.00 -0.75 -4.85 119.66 121.55 2kh2 s GLN 48 Ca 0.46 -0.73 0.00 0.00 -2.00 0.00 0.00 55.36 53.09 2kh2 s GLN 48 Cb -0.02 -2.67 0.00 0.00 0.80 0.00 0.00 33.01 31.13 2kh2 s GLN 48 CO 0.32 0.56 0.00 0.41 -0.50 0.00 0.00 175.29 176.08 2kh2 n GLY 49 N 0.54 -0.27 3.53 2.59 0.00 -1.26 -4.89 105.19 105.43 2kh2 n GLY 49 Ca -0.10 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.76 3.43 -0.84 1.61 2.56 -1.26 -4.94 118.70 117.50 2kh2 s GLU 50 Ca 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 54.97 53.94 2kh2 s GLU 50 Cb 0.00 -4.84 0.21 0.00 2.00 0.00 0.00 34.13 31.50 2kh2 s GLU 50 CO 0.00 -2.08 0.74 -2.00 -0.56 0.00 0.00 175.26 171.36 2kh2 s GLU 51 N 4.72 3.35 0.00 4.30 2.12 -1.26 -3.78 118.70 128.15 2kh2 s GLU 51 Ca 0.38 -2.79 0.00 0.00 0.36 0.00 0.00 54.97 52.93 2kh2 s GLU 51 Cb -0.05 -4.16 0.00 0.00 0.26 0.00 0.00 34.13 30.18 2kh2 s GLU 51 CO -0.01 -1.24 0.00 -1.13 -0.54 0.00 0.00 175.26 172.34 2kh2 n SER 52 N 3.27 0.00 0.03 -1.70 3.41 -0.06 -5.02 113.62 113.56 2kh2 n SER 52 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2kh2 n SER 52 Cb 0.41 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.00 0.85 -0.08 4.04 5.15 -1.26 -4.51 115.26 119.45 2kh2 n ASN 53 Ca 0.00 0.37 -0.15 0.00 -0.60 0.00 0.00 54.58 54.20 2kh2 n ASN 53 Cb 0.00 0.18 -0.07 0.00 -0.53 0.00 0.00 39.78 39.36 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2kh2 n ASP 54 N -2.88 1.80 -4.49 1.20 5.75 -1.26 -4.92 116.55 111.75 2kh2 n ASP 54 Ca -0.09 0.09 -0.43 0.00 -0.01 0.00 0.00 54.79 54.35 2kh2 n ASP 54 Cb 0.83 -0.40 -0.06 0.00 -1.03 0.00 0.00 41.12 40.46 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 -2.31 3.25 -0.19 0.11 2.20 -1.26 -3.81 119.74 117.72 2kh2 s LYS 55 Ca -0.23 -0.51 -0.03 0.00 -0.36 0.00 0.00 55.97 54.84 2kh2 s LYS 55 Cb 0.08 -4.03 -0.01 0.00 -1.51 0.00 0.00 37.83 32.35 2kh2 s LYS 55 CO 0.32 -1.22 -0.06 0.42 -0.36 0.00 0.00 175.35 174.46 2kh2 s ILE 56 N 3.09 3.43 -0.35 5.43 -1.09 -1.07 -0.88 121.20 129.76 2kh2 s ILE 56 Ca 0.23 -0.49 -0.27 0.00 -2.23 0.00 0.00 60.65 57.88 2kh2 s ILE 56 Cb -0.15 -2.53 0.02 0.00 -1.58 0.00 0.00 42.46 38.21 2kh2 s ILE 56 CO 0.17 0.45 0.99 -2.16 -1.23 0.00 0.00 174.94 173.17 2kh2 s PRO 57 N 1.05 3.95 0.07 2.79 0.04 -1.25 -0.54 135.00 141.11 2kh2 s PRO 57 Ca 0.01 0.80 0.01 0.00 0.04 0.00 0.00 61.00 61.86 2kh2 s PRO 57 Cb -0.15 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 2kh2 s PRO 57 CO -0.00 -0.93 -0.06 0.14 0.04 0.00 0.00 177.00 176.19 2kh2 s VAL 58 N 3.57 0.51 0.10 -0.36 -7.23 0.07 -3.34 120.40 113.72 2kh2 s VAL 58 Ca 0.41 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 2kh2 s VAL 58 Cb -0.12 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 2kh2 s VAL 58 CO 0.17 -0.76 0.26 0.00 -0.31 0.00 0.00 175.10 174.46 2kh2 s ALA 59 N -2.99 3.97 -0.25 1.32 0.00 -1.07 -1.24 121.76 121.51 2kh2 s ALA 59 Ca 0.03 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.10 2kh2 s ALA 59 Cb 0.01 -1.84 0.07 0.00 0.00 0.00 0.00 23.12 21.36 2kh2 s ALA 59 CO -0.04 0.70 0.01 -0.51 0.00 0.00 0.00 175.76 175.92 2kh2 s LEU 60 N -2.81 2.26 0.12 0.00 1.43 -1.26 -3.28 118.68 115.14 2kh2 s LEU 60 Ca 0.35 -1.24 0.05 0.00 -1.03 0.00 0.00 54.13 52.25 2kh2 s LEU 60 Cb -0.12 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 2kh2 s LEU 60 CO 0.28 -0.30 -0.11 -0.83 0.23 0.00 0.00 176.35 175.62 2kh2 s GLY 61 N 1.54 0.99 0.29 -3.19 0.00 -1.17 -0.97 107.32 104.81 2kh2 s GLY 61 Ca 0.00 -1.34 -0.29 0.00 0.00 0.00 0.00 44.72 43.09 2kh2 s GLY 61 CO -0.11 -1.42 1.22 1.08 0.00 0.00 0.00 173.10 173.87 2kh2 s LEU 62 N -2.75 4.48 0.16 0.66 1.02 0.38 -0.11 118.68 122.52 2kh2 s LEU 62 Ca 0.11 2.46 -0.34 0.00 0.02 0.00 0.00 54.13 56.39 2kh2 s LEU 62 Cb -0.01 -3.63 -0.14 0.00 0.02 0.00 0.00 46.19 42.43 2kh2 s LEU 62 CO 0.01 -0.37 1.60 1.17 0.02 0.00 0.00 176.35 178.78 2kh2 n LYS 63 N 1.26 2.21 -3.22 1.70 4.81 -0.31 -2.00 118.16 122.60 2kh2 n LYS 63 Ca 0.00 0.80 -0.21 0.00 -0.87 0.00 0.00 58.31 58.03 2kh2 n LYS 63 Cb 0.43 -2.58 -0.01 0.00 0.02 0.00 0.00 35.03 32.90 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 3.56 -3.15 -4.18 1.64 0.00 -1.26 -4.95 120.64 112.30 2kh2 n GLU 64 Ca 0.17 0.46 -0.11 0.00 0.00 0.00 0.00 57.16 57.68 2kh2 n GLU 64 Cb 0.29 -5.14 -0.10 0.00 0.00 0.00 0.00 31.44 26.50 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 -5.86 0.97 -0.15 3.44 1.02 -0.85 -5.04 119.74 113.28 2kh2 s LYS 65 Ca 0.34 -1.46 0.17 0.00 0.02 0.00 0.00 55.97 55.03 2kh2 s LYS 65 Cb -0.18 0.04 0.73 0.00 -0.52 0.00 0.00 37.83 37.90 2kh2 s LYS 65 CO 0.41 -0.20 1.64 0.27 -0.92 0.00 0.00 175.35 176.56 2kh2 n ASN 66 N -0.14 4.95 -4.58 2.83 6.94 -1.26 -4.58 115.26 119.42 2kh2 n ASN 66 Ca -0.07 -2.61 -0.41 0.00 -0.02 0.00 0.00 54.58 51.48 2kh2 n ASN 66 Cb 0.63 -0.60 -0.08 0.00 -2.36 0.00 0.00 39.78 37.37 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 -2.15 4.22 0.13 -4.53 1.43 -1.26 -1.49 118.68 115.03 2kh2 s LEU 67 Ca 0.51 0.18 0.11 0.00 -1.03 0.00 0.00 54.13 53.89 2kh2 s LEU 67 Cb 0.35 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 2kh2 s LEU 67 CO 0.21 -0.38 -0.26 -0.31 0.23 0.00 0.00 176.35 175.84 2kh2 s TYR 68 N 2.32 2.25 -0.00 0.29 1.51 -0.01 -0.47 117.35 123.23 2kh2 s TYR 68 Ca 0.19 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.56 2kh2 s TYR 68 Cb -0.16 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 2kh2 s TYR 68 CO 0.12 0.33 1.22 -0.51 -1.11 0.00 0.00 175.55 175.60 2kh2 s LEU 69 N -2.06 4.32 -0.02 -1.29 1.43 -0.14 -0.93 118.68 119.99 2kh2 s LEU 69 Ca 0.13 1.93 0.04 0.00 -1.03 0.00 0.00 54.13 55.20 2kh2 s LEU 69 Cb -0.10 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 2kh2 s LEU 69 CO 0.06 -0.55 -0.14 -0.55 0.23 0.00 0.00 176.35 175.40 2kh2 s SER 70 N 1.37 1.64 -0.23 2.29 0.15 0.52 -4.44 113.70 115.00 2kh2 s SER 70 Ca 0.58 -0.25 -0.03 0.00 0.70 0.00 0.00 55.95 56.95 2kh2 s SER 70 Cb -0.27 -0.23 0.01 0.00 -1.71 0.00 0.00 66.02 63.81 2kh2 s SER 70 CO 0.25 0.16 -0.06 0.00 1.20 0.00 0.00 173.24 174.79 2kh2 s VAL 72 N 1.40 0.13 -0.27 0.00 -7.23 -0.50 -4.67 120.40 109.26 2kh2 s VAL 72 Ca 0.03 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.08 2kh2 s VAL 72 Cb -0.15 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2kh2 s VAL 72 CO -0.05 0.00 0.27 -0.76 -0.31 0.00 0.00 175.10 174.25 2kh2 s LEU 73 N -3.28 4.03 -0.03 1.32 1.43 -1.26 0.16 118.68 121.04 2kh2 s LEU 73 Ca 0.38 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 2kh2 s LEU 73 Cb 0.05 -2.26 0.03 0.00 0.03 0.00 0.00 46.19 44.04 2kh2 s LEU 73 CO 0.17 -0.11 -0.01 -0.54 0.23 0.00 0.00 176.35 176.09 2kh2 s LYS 74 N 1.88 0.47 -1.33 1.70 1.02 -0.28 -4.82 119.74 118.39 2kh2 s LYS 74 Ca 0.11 0.02 -0.07 0.00 0.02 0.00 0.00 55.97 56.05 2kh2 s LYS 74 Cb -0.16 -0.60 0.01 0.00 -0.52 0.00 0.00 37.83 36.56 2kh2 s LYS 74 CO 0.10 -0.12 1.11 -3.47 -0.92 0.00 0.00 175.35 172.05 2kh2 n ASP 75 N 4.12 -4.94 -2.35 2.83 -0.08 -1.26 -1.88 116.55 112.99 2kh2 n ASP 75 Ca -0.26 -0.59 -0.19 0.00 -1.51 0.00 0.00 54.79 52.25 2kh2 n ASP 75 Cb 0.50 -4.96 -0.01 0.00 2.34 0.00 0.00 41.12 38.99 2kh2 n ASP 75 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kh2 n ASP 76 N -3.04 -5.38 -3.72 1.67 9.92 -1.26 -4.98 116.55 109.76 2kh2 n ASP 76 Ca -0.08 0.07 -0.12 0.00 -0.53 0.00 0.00 54.79 54.13 2kh2 n ASP 76 Cb 0.59 -4.52 -0.12 0.00 -0.64 0.00 0.00 41.12 36.43 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2kh2 s LYS 77 N -4.94 0.27 -0.05 -1.24 2.47 -0.79 -5.12 119.74 110.34 2kh2 s LYS 77 Ca 0.00 0.60 -0.30 0.00 -1.56 0.00 0.00 55.97 54.71 2kh2 s LYS 77 Cb 0.00 -0.07 -0.07 0.00 -1.46 0.00 0.00 37.83 36.23 2kh2 s LYS 77 CO 0.00 -0.15 1.86 -2.14 0.16 0.00 0.00 175.35 175.08 2kh2 s PRO 78 N 1.21 3.99 0.16 4.03 0.02 -1.26 -1.13 135.00 142.02 2kh2 s PRO 78 Ca -0.09 2.30 0.08 0.00 0.02 0.00 0.00 61.00 63.31 2kh2 s PRO 78 Cb -0.09 -4.12 -0.04 0.00 0.02 0.00 0.00 34.50 30.27 2kh2 s PRO 78 CO -0.09 -1.10 -0.16 0.99 -0.33 0.00 0.00 177.00 176.31 2kh2 s THR 79 N 4.88 1.66 -0.03 0.99 2.01 0.12 -4.77 115.64 120.51 2kh2 s THR 79 Ca 0.83 -1.93 -0.04 0.00 0.31 0.00 0.00 61.69 60.86 2kh2 s THR 79 Cb -0.37 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 2kh2 s THR 79 CO 0.36 -0.41 0.19 -0.22 -0.69 0.00 0.00 174.62 173.85 2kh2 s LEU 80 N -2.76 4.37 0.28 4.42 2.96 -1.26 -1.41 118.68 125.28 2kh2 s LEU 80 Ca 0.15 0.41 -0.15 0.00 -0.22 0.00 0.00 54.13 54.32 2kh2 s LEU 80 Cb -0.04 -2.53 0.01 0.00 0.50 0.00 0.00 46.19 44.13 2kh2 s LEU 80 CO 0.06 0.29 0.58 0.00 -1.32 0.00 0.00 176.35 175.96 2kh2 s GLN 81 N -1.74 1.71 -0.23 1.98 -2.07 0.53 -4.90 119.66 114.93 2kh2 s GLN 81 Ca 0.25 -1.21 -0.07 0.00 -1.82 0.00 0.00 55.36 52.51 2kh2 s GLN 81 Cb -0.13 0.53 -0.03 0.00 -1.09 0.00 0.00 33.01 32.29 2kh2 s GLN 81 CO 0.16 -0.75 0.06 -0.51 -1.32 0.00 0.00 175.29 172.93 2kh2 s LEU 82 N -3.00 3.50 -0.08 2.60 2.01 -1.26 -0.36 118.68 122.08 2kh2 s LEU 82 Ca 0.19 -0.15 0.01 0.00 0.01 0.00 0.00 54.13 54.19 2kh2 s LEU 82 Cb -0.03 -1.92 -0.03 0.00 0.01 0.00 0.00 46.19 44.22 2kh2 s LEU 82 CO 0.09 0.01 -0.10 -1.61 1.01 0.00 0.00 176.35 175.76 2kh2 s GLU 83 N 1.32 2.90 -0.74 1.70 2.02 -0.11 -4.91 118.70 120.88 2kh2 s GLU 83 Ca 0.05 -0.61 -0.18 0.00 0.02 0.00 0.00 54.97 54.25 2kh2 s GLU 83 Cb -0.15 -2.58 0.14 0.00 0.10 0.00 0.00 34.13 31.64 2kh2 s GLU 83 CO 0.03 0.53 0.84 -1.12 0.02 0.00 0.00 175.26 175.56 2kh2 s SER 84 N -0.45 6.43 0.61 -0.19 0.01 -1.26 -0.83 113.70 118.02 2kh2 s SER 84 Ca 0.06 -1.86 -0.06 0.00 1.31 0.00 0.00 55.95 55.40 2kh2 s SER 84 Cb -0.12 -2.31 0.01 0.00 0.21 0.00 0.00 66.02 63.81 2kh2 s SER 84 CO 0.02 -1.00 0.93 0.68 0.41 0.00 0.00 173.24 174.29 2kh2 s VAL 85 N 2.18 3.49 -0.11 3.43 -7.23 -0.56 -4.98 120.40 116.62 2kh2 s VAL 85 Ca 0.19 0.02 -0.33 0.00 -1.81 0.00 0.00 61.98 60.04 2kh2 s VAL 85 Cb -0.16 -3.41 -0.11 0.00 0.56 0.00 0.00 36.38 33.27 2kh2 s VAL 85 CO -0.01 -0.43 1.96 -0.67 -0.31 0.00 0.00 175.10 175.64 2kh2 n ASP 86 N -2.66 3.39 0.02 4.85 4.64 -1.26 -4.85 116.55 120.69 2kh2 n ASP 86 Ca 0.05 0.83 0.08 0.00 -1.38 0.00 0.00 54.79 54.37 2kh2 n ASP 86 Cb 0.58 -1.40 0.33 0.00 -1.04 0.00 0.00 41.12 39.59 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 7.13 0.03 -0.01 -0.67 -0.04 -1.26 -1.80 135.00 138.39 2kh2 n PRO 87 Ca 0.25 0.28 0.06 0.00 -0.04 0.00 0.00 63.50 64.05 2kh2 n PRO 87 Cb 0.32 -1.56 -0.09 0.00 -0.04 0.00 0.00 33.50 32.12 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 -1.62 0.59 -0.05 0.54 2.85 -1.26 -4.46 118.16 114.76 2kh2 n LYS 88 Ca 0.03 -0.11 0.11 0.00 -1.05 0.00 0.00 58.31 57.29 2kh2 n LYS 88 Cb 0.18 -1.28 0.12 0.00 -0.65 0.00 0.00 35.03 33.40 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 -1.88 2.93 -4.16 -5.58 3.02 -1.09 -4.95 115.26 103.55 2kh2 n ASN 89 Ca -0.02 -1.91 -0.16 0.00 -0.03 0.00 0.00 54.58 52.47 2kh2 n ASN 89 Cb 0.32 -0.07 -0.11 0.00 -0.61 0.00 0.00 39.78 39.31 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 -1.67 1.06 0.88 3.10 1.51 -0.74 -4.55 117.35 116.94 2kh2 s TYR 90 Ca 0.28 -0.55 -0.10 0.00 -1.01 0.00 0.00 57.07 55.69 2kh2 s TYR 90 Cb 0.19 -0.59 0.18 0.00 -0.11 0.00 0.00 41.96 41.63 2kh2 s TYR 90 CO 0.27 0.01 1.20 -1.25 -1.11 0.00 0.00 175.55 174.68 2kh2 s PRO 91 N -2.20 0.94 0.13 -1.71 0.04 -1.26 -4.80 135.00 126.14 2kh2 s PRO 91 Ca 0.00 -0.78 -0.06 0.00 0.04 0.00 0.00 61.00 60.20 2kh2 s PRO 91 Cb -0.07 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 2kh2 s PRO 91 CO 0.01 -2.10 0.18 -1.59 0.04 0.00 0.00 177.00 173.54 2kh2 s LYS 92 N -5.61 1.00 0.11 4.56 -2.85 -1.26 -5.07 119.74 110.62 2kh2 s LYS 92 Ca 0.72 -1.22 -0.15 0.00 -1.00 0.00 0.00 55.97 54.32 2kh2 s LYS 92 Cb -0.04 0.32 -0.06 0.00 -2.06 0.00 0.00 37.83 36.00 2kh2 s LYS 92 CO 0.50 -0.33 1.48 0.87 0.10 0.00 0.00 175.35 177.97 2kh2 h LYS 93 N 2.71 0.69 -3.69 1.78 1.57 -1.98 -3.36 116.57 114.29 2kh2 h LYS 93 Ca -0.33 -0.29 -0.76 0.00 -1.87 0.00 0.00 60.65 57.40 2kh2 h LYS 93 Cb 1.21 -0.02 -0.30 0.00 0.08 0.00 0.00 32.23 33.20 2kh2 h LYS 93 CO 0.54 0.89 -0.03 0.21 -0.57 0.00 0.00 179.45 180.49 2kh2 s LYS 94 N -4.64 3.32 0.50 3.15 2.47 -1.26 -1.81 119.74 121.47 2kh2 s LYS 94 Ca -0.13 -2.62 -0.05 0.00 -1.56 0.00 0.00 55.97 51.62 2kh2 s LYS 94 Cb 0.09 -4.19 -0.02 0.00 -1.46 0.00 0.00 37.83 32.25 2kh2 s LYS 94 CO 0.81 -1.25 0.80 -1.64 0.16 0.00 0.00 175.35 174.23 2kh2 s MET 95 N -0.15 3.31 0.41 4.03 -1.94 -1.26 -5.03 119.30 118.67 2kh2 s MET 95 Ca 0.19 0.04 -0.26 0.00 -1.71 0.00 0.00 55.69 53.96 2kh2 s MET 95 Cb -0.13 -2.38 -0.10 0.00 2.01 0.00 0.00 34.83 34.23 2kh2 s MET 95 CO -0.07 -0.34 1.30 0.39 -0.01 0.00 0.00 175.02 176.29 2kh2 n GLU 96 N -2.31 2.03 0.33 2.03 4.71 -1.26 -4.83 120.64 121.34 2kh2 n GLU 96 Ca 0.01 0.72 0.20 0.00 -0.01 0.00 0.00 57.16 58.08 2kh2 n GLU 96 Cb 0.56 -2.41 1.06 0.00 -1.01 0.00 0.00 31.44 29.64 2kh2 n GLU 96 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 2kh2 h LYS 97 N 2.23 0.00 0.00 3.49 3.64 -1.95 0.15 116.57 124.12 2kh2 h LYS 97 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2kh2 h LYS 97 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2kh2 h LYS 97 CO 0.61 0.00 0.00 2.89 -2.27 0.00 0.00 179.45 180.68 2kh2 n ARG 98 N -3.08 0.17 -0.02 1.90 1.85 -1.26 -2.70 116.66 113.51 2kh2 n ARG 98 Ca -0.02 0.25 0.06 0.00 -1.00 0.00 0.00 57.85 57.14 2kh2 n ARG 98 Cb 0.19 -1.75 0.06 0.00 -1.05 0.00 0.00 32.46 29.91 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 -2.06 0.06 -3.41 2.89 3.72 0.51 -1.03 117.46 118.13 2kh2 n PHE 99 Ca 0.04 -0.06 -0.39 0.00 -0.05 0.00 0.00 57.45 57.00 2kh2 n PHE 99 Cb 0.32 -0.00 -0.09 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 -0.97 5.18 0.17 -4.37 1.01 -1.10 -4.05 120.40 116.28 2kh2 s VAL 100 Ca 0.15 0.47 0.10 0.00 0.00 0.00 0.00 61.98 62.70 2kh2 s VAL 100 Cb 0.10 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2kh2 s VAL 100 CO 0.15 0.13 -0.19 -0.36 0.00 0.00 0.00 175.10 174.83 2kh2 s PHE 101 N 2.04 2.45 -0.29 5.22 0.08 -0.37 -2.12 117.98 124.98 2kh2 s PHE 101 Ca 0.14 -0.30 -0.07 0.00 0.12 0.00 0.00 56.93 56.82 2kh2 s PHE 101 Cb -0.16 -1.24 0.01 0.00 -0.57 0.00 0.00 43.02 41.06 2kh2 s PHE 101 CO 0.10 0.46 0.08 -0.80 -0.10 0.00 0.00 175.22 174.96 2kh2 s ASN 102 N -2.55 5.10 -0.54 1.36 0.02 0.20 -0.75 114.94 117.79 2kh2 s ASN 102 Ca 0.21 -0.72 -0.24 0.00 -1.02 0.00 0.00 52.86 51.09 2kh2 s ASN 102 Cb -0.09 -1.87 0.04 0.00 0.02 0.00 0.00 41.25 39.35 2kh2 s ASN 102 CO 0.11 -0.19 0.90 -0.75 0.02 0.00 0.00 177.10 177.19 2kh2 s LYS 103 N 1.49 3.33 -0.26 -0.60 2.20 0.30 -1.12 119.74 125.08 2kh2 s LYS 103 Ca 0.02 -0.28 0.03 0.00 -0.36 0.00 0.00 55.97 55.38 2kh2 s LYS 103 Cb -0.17 -4.04 0.06 0.00 -1.51 0.00 0.00 37.83 32.17 2kh2 s LYS 103 CO 0.02 -1.42 -0.10 0.42 -0.36 0.00 0.00 175.35 173.90 2kh2 s ILE 104 N 3.78 2.10 -0.82 5.43 1.01 0.15 -2.58 121.20 130.26 2kh2 s ILE 104 Ca 0.29 -1.59 -0.22 0.00 0.00 0.00 0.00 60.65 59.13 2kh2 s ILE 104 Cb -0.13 -2.23 0.09 0.00 0.01 0.00 0.00 42.46 40.20 2kh2 s ILE 104 CO 0.19 -0.04 1.12 -1.83 0.00 0.00 0.00 174.94 174.39 2kh2 s GLU 105 N 1.13 3.37 0.30 2.79 1.03 -1.26 -0.18 118.70 125.89 2kh2 s GLU 105 Ca -0.09 -1.17 0.03 0.00 0.03 0.00 0.00 54.97 53.77 2kh2 s GLU 105 Cb -0.20 -4.65 0.59 0.00 -0.80 0.00 0.00 34.13 29.07 2kh2 s GLU 105 CO -0.05 -1.89 1.87 -0.84 -1.33 0.00 0.00 175.26 173.02 2kh2 h ILE 106 N 6.05 0.97 0.00 1.83 3.07 -1.87 -3.46 117.51 124.10 2kh2 h ILE 106 Ca -0.05 -0.33 0.00 0.00 1.55 0.00 0.00 64.86 66.04 2kh2 h ILE 106 Cb 1.04 -0.07 0.00 0.00 -0.27 0.00 0.00 36.82 37.52 2kh2 h ILE 106 CO 1.20 0.17 0.00 -0.46 -1.05 0.00 0.00 178.15 178.01 2kh2 n ASN 107 N -4.55 0.00 0.09 2.16 0.23 -1.26 -4.99 115.26 106.94 2kh2 n ASN 107 Ca 0.16 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.26 2kh2 n ASN 107 Cb 0.31 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.99 2kh2 n ASN 107 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 2kh2 h ASN 108 N 0.00 0.00 -2.11 0.53 -1.24 -1.99 -3.46 115.58 107.31 2kh2 h ASN 108 Ca 0.00 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.47 2kh2 h ASN 108 Cb 0.00 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 38.97 2kh2 h ASN 108 CO 0.00 0.36 -0.59 -0.54 -1.29 0.00 0.00 177.43 175.37 2kh2 s LYS 109 N -3.07 2.47 0.06 6.67 -0.14 -1.26 -5.02 119.74 119.45 2kh2 s LYS 109 Ca 0.00 -1.36 0.10 0.00 -1.36 0.00 0.00 55.97 53.35 2kh2 s LYS 109 Cb 0.08 -2.27 -0.03 0.00 -1.68 0.00 0.00 37.83 33.93 2kh2 s LYS 109 CO 0.78 0.30 -0.26 -0.48 -0.76 0.00 0.00 175.35 174.93 2kh2 s LEU 110 N -3.76 2.20 0.23 3.17 0.05 -0.46 -2.61 118.68 117.49 2kh2 s LEU 110 Ca 0.34 -0.61 0.09 0.00 0.05 0.00 0.00 54.13 53.99 2kh2 s LEU 110 Cb -0.06 -1.28 -0.04 0.00 -2.05 0.00 0.00 46.19 42.76 2kh2 s LEU 110 CO 0.22 0.25 0.01 -1.61 -0.55 0.00 0.00 176.35 174.66 2kh2 s GLU 111 N -1.38 2.37 -0.30 1.48 2.02 0.75 0.26 118.70 123.90 2kh2 s GLU 111 Ca 0.12 -1.27 0.03 0.00 0.02 0.00 0.00 54.97 53.88 2kh2 s GLU 111 Cb -0.10 -2.26 0.08 0.00 0.10 0.00 0.00 34.13 31.95 2kh2 s GLU 111 CO 0.03 0.40 -0.02 -0.06 0.02 0.00 0.00 175.26 175.63 2kh2 s PHE 112 N -2.06 3.53 0.07 1.61 0.08 -1.26 -0.67 117.98 119.28 2kh2 s PHE 112 Ca 0.30 -2.67 -0.06 0.00 0.12 0.00 0.00 56.93 54.62 2kh2 s PHE 112 Cb -0.08 -2.46 -0.05 0.00 -0.57 0.00 0.00 43.02 39.86 2kh2 s PHE 112 CO 0.20 -0.92 0.32 -2.00 -0.10 0.00 0.00 175.22 172.72 2kh2 s GLU 113 N 1.00 3.61 0.02 0.44 2.12 -0.28 -1.55 118.70 124.06 2kh2 s GLU 113 Ca 0.02 -0.07 -0.28 0.00 0.36 0.00 0.00 54.97 54.99 2kh2 s GLU 113 Cb -0.20 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 2kh2 s GLU 113 CO -0.06 0.57 0.91 0.45 -0.54 0.00 0.00 175.26 176.58 2kh2 s SER 114 N -2.04 7.32 0.16 -1.70 0.15 0.19 0.60 113.70 118.39 2kh2 s SER 114 Ca 0.34 1.59 -0.11 0.00 0.70 0.00 0.00 55.95 58.47 2kh2 s SER 114 Cb -0.13 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.67 2kh2 s SER 114 CO 0.20 -0.17 1.59 0.00 1.20 0.00 0.00 173.24 176.07 2kh2 h ALA 115 N 6.41 0.71 -0.43 5.45 0.00 -1.67 -3.08 119.26 126.65 2kh2 h ALA 115 Ca -0.42 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.10 2kh2 h ALA 115 Cb 1.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2kh2 h ALA 115 CO 0.74 0.60 0.04 0.37 0.00 0.00 0.00 179.25 181.00 2kh2 h GLN 116 N 0.84 0.74 -4.30 0.00 4.15 -1.77 -3.39 115.11 111.39 2kh2 h GLN 116 Ca 0.14 -0.21 -0.67 0.00 0.77 0.00 0.00 58.65 58.68 2kh2 h GLN 116 Cb 0.63 -0.08 -0.38 0.00 0.21 0.00 0.00 27.48 27.86 2kh2 h GLN 116 CO 0.04 0.78 -0.63 -0.06 -1.93 0.00 0.00 178.83 177.04 2kh2 s PHE 117 N -5.11 3.59 0.50 3.99 0.08 -1.17 -5.10 117.98 114.76 2kh2 s PHE 117 Ca -0.13 -2.87 -0.23 0.00 0.12 0.00 0.00 56.93 53.82 2kh2 s PHE 117 Cb 0.10 -3.00 -0.06 0.00 -0.57 0.00 0.00 43.02 39.49 2kh2 s PHE 117 CO 0.79 -0.91 1.31 -2.14 -0.10 0.00 0.00 175.22 174.18 2kh2 s PRO 118 N 0.65 3.43 0.00 0.24 0.02 -1.22 -2.39 135.00 135.73 2kh2 s PRO 118 Ca 0.12 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.27 2kh2 s PRO 118 Cb -0.21 -2.38 0.00 0.00 0.02 0.00 0.00 34.50 31.93 2kh2 s PRO 118 CO -0.05 -0.93 0.00 0.09 -0.33 0.00 0.00 177.00 175.78 2kh2 n ASN 119 N -0.70 -0.07 -4.38 2.53 5.03 -1.26 -4.97 115.26 111.43 2kh2 n ASN 119 Ca 0.08 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.14 2kh2 n ASN 119 Cb 0.45 -0.63 -0.11 0.00 -1.02 0.00 0.00 39.78 38.47 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 -3.23 3.22 0.21 3.10 0.52 -1.00 -4.43 118.94 117.32 2kh2 s TRP 120 Ca 0.00 -0.90 0.08 0.00 0.02 0.00 0.00 56.10 55.30 2kh2 s TRP 120 Cb 0.00 -2.39 -0.04 0.00 -1.15 0.00 0.00 33.47 29.89 2kh2 s TRP 120 CO 0.00 -0.60 -0.01 0.71 0.02 0.00 0.00 176.95 177.07 2kh2 s TYR 121 N 1.55 2.78 -0.21 -1.98 1.51 0.22 -0.63 117.35 120.59 2kh2 s TYR 121 Ca 0.02 -0.18 -0.29 0.00 -1.01 0.00 0.00 57.07 55.62 2kh2 s TYR 121 Cb -0.18 -1.31 -0.02 0.00 -0.11 0.00 0.00 41.96 40.34 2kh2 s TYR 121 CO 0.06 0.55 1.52 0.42 -1.11 0.00 0.00 175.55 176.99 2kh2 s ILE 122 N -1.93 3.83 0.22 2.71 1.01 -0.59 -0.46 121.20 125.98 2kh2 s ILE 122 Ca 0.28 0.95 0.09 0.00 0.00 0.00 0.00 60.65 61.98 2kh2 s ILE 122 Cb -0.08 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2kh2 s ILE 122 CO 0.19 -0.29 -0.08 -0.44 0.00 0.00 0.00 174.94 174.32 2kh2 s SER 123 N 3.62 4.27 0.06 3.58 0.01 0.17 -4.48 113.70 120.91 2kh2 s SER 123 Ca 0.67 -0.65 0.04 0.00 1.31 0.00 0.00 55.95 57.32 2kh2 s SER 123 Cb -0.24 -0.71 -0.03 0.00 0.21 0.00 0.00 66.02 65.25 2kh2 s SER 123 CO 0.26 0.07 -0.11 0.42 0.41 0.00 0.00 173.24 174.29 2kh2 s THR 124 N -1.98 0.84 0.76 1.44 -4.23 -0.54 -2.55 115.64 109.38 2kh2 s THR 124 Ca 0.27 -1.19 -0.09 0.00 -1.18 0.00 0.00 61.69 59.51 2kh2 s THR 124 Cb -0.08 -0.85 0.08 0.00 1.34 0.00 0.00 72.50 73.00 2kh2 s THR 124 CO 0.17 -0.29 1.09 -0.44 -0.54 0.00 0.00 174.62 174.60 2kh2 s SER 125 N -1.64 4.58 0.09 3.99 0.01 -1.26 -0.29 113.70 119.18 2kh2 s SER 125 Ca -0.06 0.51 -0.01 0.00 1.31 0.00 0.00 55.95 57.71 2kh2 s SER 125 Cb -0.10 -1.06 -0.24 0.00 0.21 0.00 0.00 66.02 64.83 2kh2 s SER 125 CO 0.01 -1.78 1.20 1.56 0.41 0.00 0.00 173.24 174.64 2kh2 h GLN 126 N -0.81 0.20 -7.32 12.44 1.08 -1.96 -3.45 115.11 115.29 2kh2 h GLN 126 Ca -0.45 -0.33 -0.51 0.00 -1.45 0.00 0.00 58.65 55.92 2kh2 h GLN 126 Cb 1.31 0.12 0.14 0.00 -0.05 0.00 0.00 27.48 29.00 2kh2 h GLN 126 CO 0.60 1.14 0.30 0.00 -0.95 0.00 0.00 178.83 179.92 2kh2 s ALA 127 N -2.72 2.09 0.34 3.87 0.00 -1.26 -5.03 121.76 119.05 2kh2 s ALA 127 Ca -0.03 0.20 -0.18 0.00 0.00 0.00 0.00 51.96 51.96 2kh2 s ALA 127 Cb 0.08 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 2kh2 s ALA 127 CO 0.86 -1.91 0.80 -2.00 0.00 0.00 0.00 175.76 173.51 2kh2 s GLU 128 N -4.91 4.11 -0.94 0.00 2.56 -1.26 -3.99 118.70 114.27 2kh2 s GLU 128 Ca 0.62 0.84 0.00 0.00 0.00 0.00 0.00 54.97 56.43 2kh2 s GLU 128 Cb -0.17 -2.42 0.00 0.00 2.00 0.00 0.00 34.13 33.54 2kh2 s GLU 128 CO 0.56 0.13 0.00 -1.71 -0.56 0.00 0.00 175.26 173.69 2kh2 n ASN 129 N -0.30 -3.68 -4.84 -1.70 5.15 -1.19 -5.01 115.26 103.70 2kh2 n ASN 129 Ca 0.04 0.08 -0.38 0.00 -0.60 0.00 0.00 54.58 53.72 2kh2 n ASN 129 Cb 0.53 -2.66 -0.06 0.00 -0.53 0.00 0.00 39.78 37.06 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 -3.97 3.91 1.03 1.20 -1.94 -1.19 -4.84 119.30 113.50 2kh2 s MET 130 Ca 0.00 0.40 -0.15 0.00 -1.71 0.00 0.00 55.69 54.23 2kh2 s MET 130 Cb 0.00 -3.21 0.21 0.00 2.01 0.00 0.00 34.83 33.84 2kh2 s MET 130 CO 0.00 0.69 1.17 -1.25 -0.01 0.00 0.00 175.02 175.62 2kh2 s PRO 131 N -1.11 0.16 -0.15 2.03 0.04 -1.26 0.06 135.00 134.78 2kh2 s PRO 131 Ca 0.24 0.02 -0.08 0.00 0.04 0.00 0.00 61.00 61.22 2kh2 s PRO 131 Cb -0.17 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 2kh2 s PRO 131 CO 0.13 -2.80 0.12 0.08 0.04 0.00 0.00 177.00 174.58 2kh2 s VAL 132 N -3.31 5.37 0.30 -0.36 1.01 -1.05 -4.52 120.40 117.85 2kh2 s VAL 132 Ca 0.69 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.80 2kh2 s VAL 132 Cb -0.11 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 2kh2 s VAL 132 CO 0.54 0.56 0.40 0.72 0.00 0.00 0.00 175.10 177.32 2kh2 s PHE 133 N -0.52 1.03 -0.21 5.22 -0.12 -1.06 -4.91 117.98 117.41 2kh2 s PHE 133 Ca 0.12 -1.25 -0.13 0.00 -0.05 0.00 0.00 56.93 55.62 2kh2 s PHE 133 Cb -0.12 -0.18 -0.05 0.00 -0.63 0.00 0.00 43.02 42.05 2kh2 s PHE 133 CO 0.02 -1.01 0.27 -1.17 -0.05 0.00 0.00 175.22 173.27 2kh2 s LEU 134 N -3.20 4.15 0.06 -1.99 2.96 -1.26 -0.66 118.68 118.74 2kh2 s LEU 134 Ca 0.31 0.32 0.09 0.00 -0.22 0.00 0.00 54.13 54.63 2kh2 s LEU 134 Cb 0.01 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 2kh2 s LEU 134 CO 0.18 0.02 -0.24 -0.83 -1.32 0.00 0.00 176.35 174.15 2kh2 s GLY 135 N 0.95 1.34 0.00 7.98 0.00 0.39 -4.86 107.32 113.12 2kh2 s GLY 135 Ca 0.13 -1.24 0.13 0.00 0.00 0.00 0.00 44.72 43.74 2kh2 s GLY 135 CO 0.05 -1.15 1.11 0.61 0.00 0.00 0.00 173.10 173.72 2kh2 n GLY 136 N 1.63 1.29 2.84 0.20 0.00 -1.26 -0.61 105.19 109.28 2kh2 n GLY 136 Ca -0.17 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 2kh2 n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kh2 n THR 137 N 0.72 5.53 -1.82 2.61 -2.24 -1.26 -4.88 114.28 112.95 2kh2 n THR 137 Ca 0.11 -5.94 -0.42 0.00 -2.27 0.00 0.00 64.05 55.53 2kh2 n THR 137 Cb 0.39 -1.85 -0.03 0.00 -2.10 0.00 0.00 70.33 66.75 2kh2 n THR 137 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kh2 s LYS 138 N -3.43 4.16 0.00 -0.78 2.20 -1.26 -1.65 119.74 118.98 2kh2 s LYS 138 Ca 0.35 2.43 0.00 0.00 -0.36 0.00 0.00 55.97 58.39 2kh2 s LYS 138 Cb 0.11 -4.08 0.00 0.00 -1.51 0.00 0.00 37.83 32.36 2kh2 s LYS 138 CO 0.01 -0.91 0.00 0.41 -0.36 0.00 0.00 175.35 174.50 2kh2 n GLY 139 N 4.36 0.65 0.00 5.54 0.00 -1.26 -5.05 105.19 109.43 2kh2 n GLY 139 Ca 0.19 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.57 0.57 0.08 -0.02 0.00 -0.66 -5.02 105.19 97.57 2kh2 n GLY 140 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -7.31 1.61 7.50 -1.97 -3.47 115.11 111.46 2kh2 h GLN 141 Ca 0.00 -0.00 -0.41 0.00 0.50 0.00 0.00 58.65 58.74 2kh2 h GLN 141 Cb 0.00 0.00 0.20 0.00 0.05 0.00 0.00 27.48 27.73 2kh2 h GLN 141 CO 0.00 1.00 0.07 -0.51 -1.50 0.00 0.00 178.83 177.89 2kh2 s ASP 142 N -6.43 0.39 -0.12 1.46 1.01 -1.26 -4.76 116.67 106.96 2kh2 s ASP 142 Ca -0.22 0.66 -0.01 0.00 0.71 0.00 0.00 52.55 53.69 2kh2 s ASP 142 Cb -0.00 -0.92 -0.03 0.00 1.01 0.00 0.00 42.92 42.99 2kh2 s ASP 142 CO 0.66 -4.45 -0.07 -0.63 0.21 0.00 0.00 175.17 170.89 2kh2 s ILE 143 N -2.84 3.63 -0.20 0.77 1.01 0.60 -4.74 121.20 119.43 2kh2 s ILE 143 Ca 0.71 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.91 2kh2 s ILE 143 Cb -0.10 -2.54 -0.00 0.00 0.01 0.00 0.00 42.46 39.83 2kh2 s ILE 143 CO 0.56 0.54 0.35 0.35 0.00 0.00 0.00 174.94 176.74 2kh2 n THR 144 N 3.08 0.00 -3.99 2.92 -2.24 -1.26 -1.46 114.28 111.33 2kh2 n THR 144 Ca -0.18 -0.48 -0.35 0.00 -2.27 0.00 0.00 64.05 60.78 2kh2 n THR 144 Cb 0.53 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.72 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 -0.66 6.10 0.02 3.42 -4.77 -1.26 -4.05 116.67 115.48 2kh2 s ASP 145 Ca 0.02 0.32 0.00 0.00 -3.30 0.00 0.00 52.55 49.60 2kh2 s ASP 145 Cb 0.02 -1.89 -0.00 0.00 -1.09 0.00 0.00 42.92 39.96 2kh2 s ASP 145 CO 0.05 0.33 0.02 0.49 0.70 0.00 0.00 175.17 176.76 2kh2 n PHE 146 N 1.48 -0.07 -4.39 2.11 3.72 0.14 -3.82 117.46 116.63 2kh2 n PHE 146 Ca -0.15 -0.19 -0.19 0.00 -0.05 0.00 0.00 57.45 56.87 2kh2 n PHE 146 Cb 0.54 0.02 -0.10 0.00 -0.94 0.00 0.00 39.48 38.99 2kh2 n PHE 146 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2kh2 s THR 147 N -2.11 1.14 -0.56 4.37 -4.23 -0.76 -1.36 115.64 112.13 2kh2 s THR 147 Ca 0.03 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 2kh2 s THR 147 Cb 0.00 -2.55 0.31 0.00 1.34 0.00 0.00 72.50 71.60 2kh2 s THR 147 CO 0.02 -0.17 0.85 0.80 -0.54 0.00 0.00 174.62 175.58 2kh2 n MET 148 N -0.54 2.65 -1.92 3.99 1.56 -1.26 -4.12 117.12 117.48 2kh2 n MET 148 Ca -0.04 -4.55 -0.43 0.00 -0.27 0.00 0.00 57.70 52.42 2kh2 n MET 148 Cb 0.65 -2.12 -0.03 0.00 2.15 0.00 0.00 33.22 33.87 2kh2 n MET 148 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2kh2 s GLN 149 N -2.98 3.64 0.21 2.12 1.11 -1.02 -4.84 119.66 117.90 2kh2 s GLN 149 Ca 0.45 1.86 -0.23 0.00 0.01 0.00 0.00 55.36 57.45 2kh2 s GLN 149 Cb 0.25 -4.15 -0.08 0.00 -1.01 0.00 0.00 33.01 28.02 2kh2 s GLN 149 CO -0.10 -1.50 0.78 -0.06 0.01 0.00 0.00 175.29 174.43 2kh2 s PHE 150 N 6.00 3.79 0.43 0.91 0.08 -1.26 -0.49 117.98 127.44 2kh2 s PHE 150 Ca 0.82 1.57 0.05 0.00 0.12 0.00 0.00 56.93 59.48 2kh2 s PHE 150 Cb -0.29 -2.74 -0.06 0.00 -0.57 0.00 0.00 43.02 39.37 2kh2 s PHE 150 CO 0.33 0.41 0.02 0.14 -0.10 0.00 0.00 175.22 176.02 2kh2 s VAL 151 N -1.35 1.59 -0.83 -0.44 -7.23 -1.10 -4.96 120.40 106.08 2kh2 s VAL 151 Ca 0.40 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.42 2kh2 s VAL 151 Cb -0.20 -2.69 0.18 0.00 0.56 0.00 0.00 36.38 34.23 2kh2 s VAL 151 CO 0.24 0.00 0.85 -0.44 -0.31 0.00 0.00 175.10 175.44 2kh2 s SER 152 N -3.73 6.66 0.00 4.85 0.01 -1.26 -4.75 113.70 115.48 2kh2 s SER 152 Ca 0.26 -2.38 0.00 0.00 1.31 0.00 0.00 55.95 55.14 2kh2 s SER 152 Cb 0.07 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 64.03 2kh2 s SER 152 CO 0.13 -0.76 0.00 -0.24 0.41 0.00 0.00 173.24 172.77