#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 0.50 -5.16 0.00 0.11 -2.07 -3.43 132.00 121.96 2kh2 h PRO 2 Ca 0.00 -0.29 -0.67 0.00 0.11 0.00 0.00 66.00 65.15 2kh2 h PRO 2 Cb 0.00 0.02 -0.32 0.00 0.11 0.00 0.00 31.00 30.82 2kh2 h PRO 2 CO 0.00 0.88 -0.82 0.54 -0.21 0.00 0.00 178.00 178.39 2kh2 s VAL 3 N -4.20 2.49 0.14 3.15 0.11 -1.26 -5.06 120.40 115.76 2kh2 s VAL 3 Ca -0.13 -0.82 -0.08 0.00 -2.93 0.00 0.00 61.98 58.02 2kh2 s VAL 3 Cb 0.06 -2.04 -0.06 0.00 -1.53 0.00 0.00 36.38 32.81 2kh2 s VAL 3 CO 0.79 0.52 0.42 -0.13 -3.33 0.00 0.00 175.10 173.37 2kh2 s ARG 4 N 0.93 3.71 -0.02 1.54 0.52 -1.26 -5.01 118.95 119.35 2kh2 s ARG 4 Ca -0.03 0.09 -0.19 0.00 -0.52 0.00 0.00 55.73 55.08 2kh2 s ARG 4 Cb -0.15 -2.86 0.03 0.00 0.52 0.00 0.00 34.95 32.49 2kh2 s ARG 4 CO -0.03 0.47 0.40 -1.12 0.02 0.00 0.00 175.30 175.04 2kh2 s SER 5 N -2.17 -0.30 0.28 0.23 0.01 -1.26 -2.74 113.70 107.75 2kh2 s SER 5 Ca 0.39 0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.90 2kh2 s SER 5 Cb -0.13 0.37 -0.05 0.00 0.21 0.00 0.00 66.02 66.42 2kh2 s SER 5 CO 0.22 -0.49 0.09 -1.48 0.41 0.00 0.00 173.24 171.99 2kh2 s LEU 6 N -1.32 1.74 -0.17 2.44 0.05 -0.80 -4.94 118.68 115.70 2kh2 s LEU 6 Ca -0.13 -1.40 -0.02 0.00 0.05 0.00 0.00 54.13 52.63 2kh2 s LEU 6 Cb -0.04 -0.04 -0.02 0.00 -2.05 0.00 0.00 46.19 44.04 2kh2 s LEU 6 CO 0.05 -0.72 -0.08 0.20 -0.55 0.00 0.00 176.35 175.25 2kh2 s ASN 7 N -3.36 4.31 0.10 1.48 -0.87 -1.26 -0.42 114.94 114.92 2kh2 s ASN 7 Ca 0.37 -0.30 -0.05 0.00 -1.57 0.00 0.00 52.86 51.31 2kh2 s ASN 7 Cb 0.08 -1.70 -0.02 0.00 -0.02 0.00 0.00 41.25 39.59 2kh2 s ASN 7 CO 0.14 0.10 0.12 0.00 -2.57 0.00 0.00 177.10 174.89 2kh2 s THR 9 N -3.93 3.60 -0.18 0.00 -4.23 0.17 -0.99 115.64 110.08 2kh2 s THR 9 Ca 0.11 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 2kh2 s THR 9 Cb 0.06 -2.87 0.01 0.00 1.34 0.00 0.00 72.50 71.04 2kh2 s THR 9 CO -0.07 -0.24 -0.16 -0.76 -0.54 0.00 0.00 174.62 172.85 2kh2 s LEU 10 N -3.32 2.34 -0.05 4.79 1.43 -1.26 -2.23 118.68 120.39 2kh2 s LEU 10 Ca 0.29 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2kh2 s LEU 10 Cb -0.08 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.61 2kh2 s LEU 10 CO 0.19 0.02 -0.08 -0.60 0.23 0.00 0.00 176.35 176.11 2kh2 s ARG 11 N 1.19 1.14 0.94 1.70 3.52 -0.69 -3.64 118.95 123.10 2kh2 s ARG 11 Ca 0.02 -0.26 -0.14 0.00 -0.13 0.00 0.00 55.73 55.22 2kh2 s ARG 11 Cb -0.14 -1.03 0.20 0.00 -1.56 0.00 0.00 34.95 32.43 2kh2 s ARG 11 CO -0.07 0.01 1.29 0.16 -0.81 0.00 0.00 175.30 175.88 2kh2 s ASP 12 N 0.63 3.14 0.00 -2.12 -4.77 -1.03 0.19 116.67 112.71 2kh2 s ASP 12 Ca -0.10 0.11 0.17 0.00 -3.30 0.00 0.00 52.55 49.43 2kh2 s ASP 12 Cb -0.13 -0.14 0.86 0.00 -1.09 0.00 0.00 42.92 42.42 2kh2 s ASP 12 CO 0.01 -2.70 1.53 -1.20 0.70 0.00 0.00 175.17 173.51 2kh2 n SER 13 N -3.68 0.00 -1.31 2.11 7.64 -1.26 -2.20 113.62 114.92 2kh2 n SER 13 Ca 0.16 0.11 0.12 0.00 1.01 0.00 0.00 58.87 60.27 2kh2 n SER 13 Cb 0.59 -0.32 0.29 0.00 -1.01 0.00 0.00 64.21 63.77 2kh2 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kh2 n GLN 14 N -1.32 2.67 -1.80 1.43 1.13 -1.26 -4.93 117.38 113.30 2kh2 n GLN 14 Ca 0.08 -2.57 -0.10 0.00 -1.94 0.00 0.00 57.00 52.47 2kh2 n GLN 14 Cb 0.15 -1.56 -0.02 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 1.63 -0.75 -3.47 -1.09 1.13 -0.93 -4.93 117.38 108.96 2kh2 n GLN 15 Ca 0.23 0.65 -0.33 0.00 -1.94 0.00 0.00 57.00 55.61 2kh2 n GLN 15 Cb 0.62 -4.64 -0.05 0.00 0.11 0.00 0.00 30.24 26.28 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 -3.77 3.81 0.18 -1.09 1.02 -1.26 -4.00 119.74 114.63 2kh2 s LYS 16 Ca 0.00 0.26 0.10 0.00 0.02 0.00 0.00 55.97 56.35 2kh2 s LYS 16 Cb 0.00 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 2kh2 s LYS 16 CO 0.00 0.43 -0.16 -1.12 -0.92 0.00 0.00 175.35 173.58 2kh2 s SER 17 N -2.09 3.90 -0.18 2.83 0.01 0.70 -2.46 113.70 116.41 2kh2 s SER 17 Ca 0.41 -0.69 -0.20 0.00 1.31 0.00 0.00 55.95 56.78 2kh2 s SER 17 Cb -0.13 -0.52 -0.03 0.00 0.21 0.00 0.00 66.02 65.55 2kh2 s SER 17 CO 0.20 0.12 0.58 -0.76 0.41 0.00 0.00 173.24 173.79 2kh2 s LEU 18 N -2.71 4.17 0.08 2.44 1.43 -1.24 -1.93 118.68 120.92 2kh2 s LEU 18 Ca 0.23 0.80 0.07 0.00 -1.03 0.00 0.00 54.13 54.19 2kh2 s LEU 18 Cb -0.09 -2.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 2kh2 s LEU 18 CO 0.13 -0.20 -0.18 0.68 0.23 0.00 0.00 176.35 177.01 2kh2 s VAL 19 N 1.58 1.42 -0.26 -1.59 -7.23 0.27 -1.38 120.40 113.21 2kh2 s VAL 19 Ca 0.27 -1.34 -0.29 0.00 -1.81 0.00 0.00 61.98 58.81 2kh2 s VAL 19 Cb -0.16 -1.30 0.01 0.00 0.56 0.00 0.00 36.38 35.50 2kh2 s VAL 19 CO 0.11 -0.07 1.06 -0.04 -0.31 0.00 0.00 175.10 175.84 2kh2 s MET 20 N -1.65 4.19 0.00 4.82 -1.94 -1.26 -0.20 119.30 123.26 2kh2 s MET 20 Ca 0.03 1.27 0.00 0.00 -1.71 0.00 0.00 55.69 55.28 2kh2 s MET 20 Cb -0.10 -3.67 0.00 0.00 2.01 0.00 0.00 34.83 33.07 2kh2 s MET 20 CO 0.03 -0.72 0.00 0.45 -0.01 0.00 0.00 175.02 174.77 2kh2 n SER 21 N 6.51 0.00 -2.71 3.03 2.88 0.00 -4.93 113.62 118.41 2kh2 n SER 21 Ca 0.12 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.57 2kh2 n SER 21 Cb 0.46 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.99 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 2.76 -0.71 0.26 0.46 0.00 -1.23 -4.93 105.19 101.80 2kh2 n GLY 22 Ca 0.00 -1.77 0.11 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.68 1.61 0.13 -2.04 -3.20 132.00 127.82 2kh2 h PRO 23 Ca -0.14 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.67 2kh2 h PRO 23 Cb 0.41 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.13 2kh2 h PRO 23 CO 0.11 0.13 -1.10 0.66 -0.23 0.00 0.00 178.00 177.57 2kh2 n TYR 24 N -3.76 1.48 -3.80 1.56 4.01 -1.26 -5.09 117.16 110.30 2kh2 n TYR 24 Ca -0.02 -2.38 -0.12 0.00 -0.16 0.00 0.00 57.90 55.21 2kh2 n TYR 24 Cb 0.24 -0.28 -0.10 0.00 -0.31 0.00 0.00 39.34 38.89 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 -3.58 0.45 -0.02 -0.72 2.12 -1.21 -4.36 118.70 111.39 2kh2 s GLU 25 Ca 0.30 0.03 0.08 0.00 0.36 0.00 0.00 54.97 55.74 2kh2 s GLU 25 Cb 0.37 0.20 -0.02 0.00 0.26 0.00 0.00 34.13 34.94 2kh2 s GLU 25 CO -0.02 -0.09 -0.25 -0.51 -0.54 0.00 0.00 175.26 173.85 2kh2 s LEU 26 N -0.62 2.05 0.16 2.70 1.43 -1.26 -0.82 118.68 122.32 2kh2 s LEU 26 Ca -0.07 -0.45 0.11 0.00 -1.03 0.00 0.00 54.13 52.68 2kh2 s LEU 26 Cb -0.04 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 2kh2 s LEU 26 CO 0.02 0.30 -0.24 -0.54 0.23 0.00 0.00 176.35 176.12 2kh2 s LYS 27 N -0.62 1.40 -0.21 1.70 1.02 0.72 -2.40 119.74 121.35 2kh2 s LYS 27 Ca 0.10 -1.41 -0.00 0.00 0.02 0.00 0.00 55.97 54.67 2kh2 s LYS 27 Cb -0.09 -1.74 0.02 0.00 -0.52 0.00 0.00 37.83 35.49 2kh2 s LYS 27 CO -0.01 0.39 -0.13 0.00 -0.92 0.00 0.00 175.35 174.68 2kh2 s ALA 28 N -1.48 2.52 0.14 5.17 0.00 0.66 -0.56 121.76 128.21 2kh2 s ALA 28 Ca 0.16 -1.28 -0.17 0.00 0.00 0.00 0.00 51.96 50.68 2kh2 s ALA 28 Cb -0.08 -1.42 0.04 0.00 0.00 0.00 0.00 23.12 21.66 2kh2 s ALA 28 CO 0.08 -0.50 0.43 -0.48 0.00 0.00 0.00 175.76 175.29 2kh2 s LEU 29 N 1.33 0.28 0.19 0.00 0.05 -0.81 -2.85 118.68 116.87 2kh2 s LEU 29 Ca 0.04 -0.31 -0.32 0.00 0.05 0.00 0.00 54.13 53.58 2kh2 s LEU 29 Cb -0.14 1.93 -0.12 0.00 -2.05 0.00 0.00 46.19 45.81 2kh2 s LEU 29 CO -0.09 -0.89 1.70 1.41 -0.55 0.00 0.00 176.35 177.94 2kh2 n HIS 30 N -0.25 2.64 -3.59 3.48 8.25 -1.26 -0.22 115.22 124.27 2kh2 n HIS 30 Ca -0.15 0.07 -0.29 0.00 -0.26 0.00 0.00 57.72 57.09 2kh2 n HIS 30 Cb 0.64 -2.65 -0.13 0.00 1.12 0.00 0.00 29.99 28.96 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 1.26 1.63 0.00 2.41 2.96 -1.26 -4.86 118.68 120.82 2kh2 s LEU 31 Ca 0.77 -2.12 0.00 0.00 -0.22 0.00 0.00 54.13 52.55 2kh2 s LEU 31 Cb -0.54 -0.65 0.00 0.00 0.50 0.00 0.00 46.19 45.49 2kh2 s LEU 31 CO 0.34 -0.33 0.00 0.00 -1.32 0.00 0.00 176.35 175.04 2kh2 n GLN 32 N 4.17 3.94 0.00 1.98 6.02 -1.26 -4.47 117.38 127.75 2kh2 n GLN 32 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2kh2 n GLN 32 Cb 0.38 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.64 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kh2 n GLY 33 N 5.00 3.65 0.48 1.08 0.00 -1.26 -2.28 105.19 111.86 2kh2 n GLY 33 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 45.98 2kh2 n GLY 33 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kh2 n GLN 34 N 13.96 2.87 -0.11 1.61 6.02 -1.26 -4.42 117.38 136.05 2kh2 n GLN 34 Ca 0.00 -1.99 0.12 0.00 -0.01 0.00 0.00 57.00 55.12 2kh2 n GLN 34 Cb 0.00 -1.25 0.26 0.00 1.02 0.00 0.00 30.24 30.27 2kh2 n GLN 34 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2kh2 n ASP 35 N 0.13 2.77 0.23 1.08 9.92 -0.97 -4.24 116.55 125.48 2kh2 n ASP 35 Ca 0.10 -1.89 0.05 0.00 -0.53 0.00 0.00 54.79 52.52 2kh2 n ASP 35 Cb 0.42 -0.15 0.51 0.00 -0.64 0.00 0.00 41.12 41.27 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 2kh2 h MET 36 N 3.79 0.00 0.00 -1.24 4.05 -1.77 -1.99 114.93 117.78 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 0.83 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.63 2kh2 h MET 36 CO 0.00 0.17 0.00 0.39 0.23 0.00 0.00 176.91 177.70 2kh2 n GLU 37 N -4.34 0.63 -0.18 0.39 -0.58 -1.26 -2.26 120.64 113.04 2kh2 n GLU 37 Ca -0.02 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.81 2kh2 n GLU 37 Cb 0.23 -1.47 0.26 0.00 -0.57 0.00 0.00 31.44 29.90 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 -0.97 2.04 -2.18 3.49 6.02 -0.75 -4.93 117.38 120.10 2kh2 n GLN 38 Ca 0.14 -1.59 -0.34 0.00 -0.01 0.00 0.00 57.00 55.20 2kh2 n GLN 38 Cb 0.06 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 29.93 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 -1.53 3.36 0.11 -1.09 -2.07 -0.96 -4.83 119.66 112.66 2kh2 s GLN 39 Ca 0.33 1.39 -0.27 0.00 -1.82 0.00 0.00 55.36 54.99 2kh2 s GLN 39 Cb 0.18 -2.03 -0.06 0.00 -1.09 0.00 0.00 33.01 30.01 2kh2 s GLN 39 CO 0.25 -0.80 0.85 0.08 -1.32 0.00 0.00 175.29 174.35 2kh2 s VAL 40 N -2.12 4.51 -0.21 3.63 1.01 -0.48 -5.03 120.40 121.71 2kh2 s VAL 40 Ca 0.68 1.85 -0.07 0.00 0.00 0.00 0.00 61.98 64.44 2kh2 s VAL 40 Cb -0.19 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 2kh2 s VAL 40 CO 0.31 0.39 0.05 -0.69 0.00 0.00 0.00 175.10 175.15 2kh2 s VAL 41 N -0.37 4.40 -0.11 2.92 1.01 -1.26 -4.52 120.40 122.47 2kh2 s VAL 41 Ca 0.41 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 2kh2 s VAL 41 Cb -0.23 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2kh2 s VAL 41 CO 0.27 0.41 0.08 -0.36 0.00 0.00 0.00 175.10 175.51 2kh2 s PHE 42 N 0.92 3.42 -0.23 5.22 0.08 -0.17 -2.29 117.98 124.94 2kh2 s PHE 42 Ca 0.03 0.39 -0.16 0.00 0.12 0.00 0.00 56.93 57.31 2kh2 s PHE 42 Cb -0.14 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 2kh2 s PHE 42 CO 0.02 0.62 0.40 -1.12 -0.10 0.00 0.00 175.22 175.05 2kh2 s SER 43 N -0.95 6.38 -0.36 1.36 0.01 -0.15 -1.35 113.70 118.64 2kh2 s SER 43 Ca 0.14 0.45 -0.13 0.00 1.31 0.00 0.00 55.95 57.72 2kh2 s SER 43 Cb -0.12 -2.23 -0.00 0.00 0.21 0.00 0.00 66.02 63.88 2kh2 s SER 43 CO 0.03 -0.12 0.25 -0.32 0.41 0.00 0.00 173.24 173.49 2kh2 s MET 44 N 1.59 3.31 -0.07 12.44 1.75 0.44 -3.20 119.30 135.56 2kh2 s MET 44 Ca 0.18 -0.77 -0.03 0.00 -1.25 0.00 0.00 55.69 53.82 2kh2 s MET 44 Cb -0.15 -3.84 -0.04 0.00 2.84 0.00 0.00 34.83 33.65 2kh2 s MET 44 CO 0.08 -0.54 0.08 -1.12 -0.65 0.00 0.00 175.02 172.88 2kh2 s SER 45 N 1.70 5.80 -0.60 1.11 0.01 -1.19 -1.90 113.70 118.62 2kh2 s SER 45 Ca 0.06 0.26 -0.23 0.00 1.31 0.00 0.00 55.95 57.35 2kh2 s SER 45 Cb -0.18 -1.74 0.05 0.00 0.21 0.00 0.00 66.02 64.36 2kh2 s SER 45 CO 0.10 0.36 0.96 -0.36 0.41 0.00 0.00 173.24 174.70 2kh2 s PHE 46 N -1.04 2.73 0.68 2.43 0.08 -1.11 -1.53 117.98 120.22 2kh2 s PHE 46 Ca 0.17 -0.25 0.04 0.00 0.12 0.00 0.00 56.93 57.01 2kh2 s PHE 46 Cb -0.12 -4.17 0.12 0.00 -0.57 0.00 0.00 43.02 38.29 2kh2 s PHE 46 CO 0.07 -1.50 0.94 0.14 -0.10 0.00 0.00 175.22 174.77 2kh2 s VAL 47 N 4.03 2.04 -0.31 -0.44 -7.23 -0.85 -4.81 120.40 112.83 2kh2 s VAL 47 Ca 0.27 -0.78 -0.08 0.00 -1.81 0.00 0.00 61.98 59.58 2kh2 s VAL 47 Cb -0.14 -2.26 0.01 0.00 0.56 0.00 0.00 36.38 34.55 2kh2 s VAL 47 CO 0.15 0.00 0.11 -1.58 -0.31 0.00 0.00 175.10 173.47 2kh2 s GLN 48 N -4.98 3.01 0.00 4.82 2.00 -1.24 -4.72 119.66 118.55 2kh2 s GLN 48 Ca 0.66 -0.92 0.00 0.00 -2.00 0.00 0.00 55.36 53.09 2kh2 s GLN 48 Cb -0.05 -3.45 0.00 0.00 0.80 0.00 0.00 33.01 30.31 2kh2 s GLN 48 CO 0.43 -0.51 0.00 0.41 -0.50 0.00 0.00 175.29 175.12 2kh2 n GLY 49 N 4.88 1.97 3.59 2.59 0.00 -1.26 -4.94 105.19 112.03 2kh2 n GLY 49 Ca -0.14 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2kh2 n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kh2 s GLU 50 N 4.00 3.60 0.08 1.61 2.56 -1.26 -4.94 118.70 124.35 2kh2 s GLU 50 Ca 0.00 0.50 0.08 0.00 0.00 0.00 0.00 54.97 55.55 2kh2 s GLU 50 Cb 0.00 -3.97 -0.03 0.00 2.00 0.00 0.00 34.13 32.12 2kh2 s GLU 50 CO 0.00 -1.55 -0.21 -2.00 -0.56 0.00 0.00 175.26 170.94 2kh2 s GLU 51 N 4.77 1.25 0.00 4.30 2.12 -1.26 -3.19 118.70 126.69 2kh2 s GLU 51 Ca 0.49 -1.08 0.00 0.00 0.36 0.00 0.00 54.97 54.74 2kh2 s GLU 51 Cb -0.08 -1.47 0.00 0.00 0.26 0.00 0.00 34.13 32.84 2kh2 s GLU 51 CO 0.29 0.36 0.00 -1.13 -0.54 0.00 0.00 175.26 174.24 2kh2 n SER 52 N 1.41 0.00 -0.10 -1.70 3.41 0.37 -4.95 113.62 112.06 2kh2 n SER 52 Ca -0.18 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.55 2kh2 n SER 52 Cb 0.53 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.81 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 0.69 0.00 4.04 2.85 -1.26 -4.43 115.26 117.15 2kh2 n ASN 53 Ca 0.00 -0.49 0.00 0.00 -0.11 0.00 0.00 54.58 53.98 2kh2 n ASN 53 Cb 0.00 0.17 0.00 0.00 1.24 0.00 0.00 39.78 41.19 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 -1.14 1.02 -4.59 1.20 5.75 -1.26 -5.02 116.55 112.51 2kh2 n ASP 54 Ca 0.09 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.46 2kh2 n ASP 54 Cb 0.34 0.06 -0.07 0.00 -1.03 0.00 0.00 41.12 40.41 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2kh2 s LYS 55 N -1.23 3.82 -0.13 0.11 1.02 -1.25 -3.17 119.74 118.92 2kh2 s LYS 55 Ca 0.00 0.14 0.02 0.00 0.02 0.00 0.00 55.97 56.15 2kh2 s LYS 55 Cb 0.00 -3.75 0.00 0.00 -0.52 0.00 0.00 37.83 33.56 2kh2 s LYS 55 CO 0.00 -0.57 -0.20 0.42 -0.92 0.00 0.00 175.35 174.08 2kh2 s ILE 56 N 2.51 2.31 -0.40 2.17 -1.09 -0.65 -0.48 121.20 125.57 2kh2 s ILE 56 Ca 0.23 -0.91 -0.29 0.00 -2.23 0.00 0.00 60.65 57.45 2kh2 s ILE 56 Cb -0.15 -1.93 0.01 0.00 -1.58 0.00 0.00 42.46 38.81 2kh2 s ILE 56 CO 0.12 0.54 1.36 -2.16 -1.23 0.00 0.00 174.94 173.57 2kh2 s PRO 57 N 0.63 3.65 0.18 2.79 0.04 -1.19 -1.34 135.00 139.75 2kh2 s PRO 57 Ca -0.10 0.94 0.03 0.00 0.04 0.00 0.00 61.00 61.91 2kh2 s PRO 57 Cb -0.16 -3.99 -0.05 0.00 0.04 0.00 0.00 34.50 30.34 2kh2 s PRO 57 CO 0.02 -1.47 -0.05 0.14 0.04 0.00 0.00 177.00 175.69 2kh2 s VAL 58 N 5.14 1.00 0.13 -0.36 -7.23 -0.18 -2.01 120.40 116.90 2kh2 s VAL 58 Ca 0.59 -2.03 0.06 0.00 -1.81 0.00 0.00 61.98 58.78 2kh2 s VAL 58 Cb -0.13 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 2kh2 s VAL 58 CO 0.31 -0.57 0.04 0.00 -0.31 0.00 0.00 175.10 174.57 2kh2 s ALA 59 N -3.44 3.34 -0.27 1.32 0.00 -0.58 -0.34 121.76 121.80 2kh2 s ALA 59 Ca 0.22 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2kh2 s ALA 59 Cb 0.04 -1.18 0.07 0.00 0.00 0.00 0.00 23.12 22.06 2kh2 s ALA 59 CO 0.03 0.59 -0.00 -0.51 0.00 0.00 0.00 175.76 175.87 2kh2 s LEU 60 N -2.71 2.84 0.08 0.00 1.43 -1.26 -3.17 118.68 115.89 2kh2 s LEU 60 Ca 0.28 -1.42 0.04 0.00 -1.03 0.00 0.00 54.13 51.99 2kh2 s LEU 60 Cb -0.11 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 2kh2 s LEU 60 CO 0.20 -0.30 -0.11 -0.83 0.23 0.00 0.00 176.35 175.54 2kh2 s GLY 61 N 1.37 0.78 0.32 -3.19 0.00 -1.20 -1.26 107.32 104.14 2kh2 s GLY 61 Ca 0.00 -1.06 -0.29 0.00 0.00 0.00 0.00 44.72 43.38 2kh2 s GLY 61 CO -0.10 -1.11 1.20 1.08 0.00 0.00 0.00 173.10 174.16 2kh2 s LEU 62 N -2.09 4.45 0.32 0.66 1.02 0.37 -0.98 118.68 122.43 2kh2 s LEU 62 Ca 0.00 2.46 -0.29 0.00 0.02 0.00 0.00 54.13 56.32 2kh2 s LEU 62 Cb -0.06 -3.69 -0.11 0.00 0.02 0.00 0.00 46.19 42.35 2kh2 s LEU 62 CO 0.01 -0.38 1.58 -0.75 0.02 0.00 0.00 176.35 176.82 2kh2 s LYS 63 N -1.71 4.10 -1.06 1.70 2.20 -0.97 -2.51 119.74 121.49 2kh2 s LYS 63 Ca 0.48 2.60 -0.05 0.00 -0.36 0.00 0.00 55.97 58.65 2kh2 s LYS 63 Cb -0.35 -3.00 0.04 0.00 -1.51 0.00 0.00 37.83 33.00 2kh2 s LYS 63 CO 0.46 -0.63 0.24 -0.85 -0.36 0.00 0.00 175.35 174.21 2kh2 n GLU 64 N 1.69 -2.86 -3.93 4.03 0.28 -1.26 -4.93 120.64 113.67 2kh2 n GLU 64 Ca 0.06 0.47 -0.08 0.00 -0.16 0.00 0.00 57.16 57.45 2kh2 n GLU 64 Cb 0.38 -5.11 -0.08 0.00 1.43 0.00 0.00 31.44 28.05 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 -5.51 0.79 -0.09 3.44 1.02 -1.04 -5.04 119.74 113.30 2kh2 s LYS 65 Ca 0.20 -1.04 0.15 0.00 0.02 0.00 0.00 55.97 55.30 2kh2 s LYS 65 Cb -0.10 0.31 0.60 0.00 -0.52 0.00 0.00 37.83 38.11 2kh2 s LYS 65 CO 0.24 -0.23 1.48 0.27 -0.92 0.00 0.00 175.35 176.19 2kh2 n ASN 66 N -0.02 3.98 -4.60 2.83 0.23 -1.26 -4.52 115.26 111.90 2kh2 n ASN 66 Ca -0.14 -2.35 -0.42 0.00 -0.53 0.00 0.00 54.58 51.14 2kh2 n ASN 66 Cb 0.62 -0.52 -0.05 0.00 -2.08 0.00 0.00 39.78 37.75 2kh2 n ASN 66 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2kh2 s LEU 67 N -1.57 4.09 0.11 -4.53 1.43 -1.26 -2.62 118.68 114.33 2kh2 s LEU 67 Ca 0.42 0.47 0.10 0.00 -1.03 0.00 0.00 54.13 54.10 2kh2 s LEU 67 Cb 0.27 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 2kh2 s LEU 67 CO 0.21 -0.73 -0.25 -0.31 0.23 0.00 0.00 176.35 175.50 2kh2 s TYR 68 N 3.14 2.14 -0.16 0.29 1.51 -0.73 -0.48 117.35 123.06 2kh2 s TYR 68 Ca 0.33 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.70 2kh2 s TYR 68 Cb -0.13 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.53 2kh2 s TYR 68 CO 0.16 0.27 1.29 -0.51 -1.11 0.00 0.00 175.55 175.65 2kh2 s LEU 69 N -1.91 4.19 -0.10 -1.29 1.43 -0.39 -0.48 118.68 120.12 2kh2 s LEU 69 Ca 0.11 1.72 0.01 0.00 -1.03 0.00 0.00 54.13 54.95 2kh2 s LEU 69 Cb -0.10 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 2kh2 s LEU 69 CO 0.05 -0.78 -0.13 -0.55 0.23 0.00 0.00 176.35 175.17 2kh2 s SER 70 N 2.08 4.06 -0.41 2.29 0.15 0.76 -4.44 113.70 118.18 2kh2 s SER 70 Ca 0.56 -0.26 -0.11 0.00 0.70 0.00 0.00 55.95 56.84 2kh2 s SER 70 Cb -0.22 -1.29 0.05 0.00 -1.71 0.00 0.00 66.02 62.85 2kh2 s SER 70 CO 0.16 0.24 0.26 0.00 1.20 0.00 0.00 173.24 175.11 2kh2 s VAL 72 N 1.53 0.58 -0.28 0.00 -7.23 -1.04 -4.65 120.40 109.31 2kh2 s VAL 72 Ca 0.03 -1.98 -0.19 0.00 -1.81 0.00 0.00 61.98 58.03 2kh2 s VAL 72 Cb -0.22 -2.27 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 2kh2 s VAL 72 CO 0.05 -0.33 0.56 -0.76 -0.31 0.00 0.00 175.10 174.32 2kh2 s LEU 73 N -3.20 4.10 -0.12 1.32 1.43 -1.26 0.32 118.68 121.27 2kh2 s LEU 73 Ca 0.28 0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.86 2kh2 s LEU 73 Cb 0.07 -2.73 0.02 0.00 0.03 0.00 0.00 46.19 43.58 2kh2 s LEU 73 CO 0.07 -0.37 -0.10 -0.54 0.23 0.00 0.00 176.35 175.63 2kh2 s LYS 74 N 2.43 1.81 -1.12 1.70 1.02 0.28 -4.74 119.74 121.11 2kh2 s LYS 74 Ca 0.23 -0.37 -0.01 0.00 0.02 0.00 0.00 55.97 55.84 2kh2 s LYS 74 Cb -0.15 -1.74 0.00 0.00 -0.52 0.00 0.00 37.83 35.42 2kh2 s LYS 74 CO 0.10 -0.22 0.94 -3.47 -0.92 0.00 0.00 175.35 171.78 2kh2 n ASP 75 N 4.74 -2.38 -2.95 2.83 4.64 -1.26 -2.58 116.55 119.59 2kh2 n ASP 75 Ca -0.15 -0.57 -0.20 0.00 -1.38 0.00 0.00 54.79 52.49 2kh2 n ASP 75 Cb 0.50 -4.78 0.01 0.00 -1.04 0.00 0.00 41.12 35.80 2kh2 n ASP 75 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 2kh2 n ASP 76 N -2.95 -4.54 -3.68 1.67 4.64 -1.26 -4.96 116.55 105.46 2kh2 n ASP 76 Ca -0.25 -0.17 -0.10 0.00 -1.38 0.00 0.00 54.79 52.89 2kh2 n ASP 76 Cb 0.65 -3.76 -0.10 0.00 -1.04 0.00 0.00 41.12 36.88 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 2kh2 s LYS 77 N -5.59 0.49 -0.04 -0.67 2.47 -1.07 -5.12 119.74 110.21 2kh2 s LYS 77 Ca 0.24 0.91 -0.31 0.00 -1.56 0.00 0.00 55.97 55.24 2kh2 s LYS 77 Cb -0.12 0.03 -0.10 0.00 -1.46 0.00 0.00 37.83 36.19 2kh2 s LYS 77 CO 0.29 -0.15 1.97 -2.30 0.16 0.00 0.00 175.35 175.32 2kh2 n PRO 78 N 4.22 2.51 -4.53 4.03 -0.02 -1.26 -0.56 135.00 139.40 2kh2 n PRO 78 Ca -0.22 0.90 -0.22 0.00 -2.02 0.00 0.00 63.50 61.95 2kh2 n PRO 78 Cb 0.56 -2.89 -0.15 0.00 -0.02 0.00 0.00 33.50 31.00 2kh2 n PRO 78 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2kh2 s THR 79 N 4.75 0.97 0.35 3.45 2.01 0.15 -4.67 115.64 122.65 2kh2 s THR 79 Ca 0.92 -0.48 -0.17 0.00 0.31 0.00 0.00 61.69 62.26 2kh2 s THR 79 Cb -0.53 -0.84 -0.10 0.00 0.01 0.00 0.00 72.50 71.05 2kh2 s THR 79 CO 0.45 0.29 0.81 -0.22 -0.69 0.00 0.00 174.62 175.26 2kh2 s LEU 80 N 0.02 4.04 0.31 4.42 2.96 -1.26 -2.48 118.68 126.68 2kh2 s LEU 80 Ca -0.01 1.44 -0.18 0.00 -0.22 0.00 0.00 54.13 55.16 2kh2 s LEU 80 Cb -0.08 -4.20 0.03 0.00 0.50 0.00 0.00 46.19 42.43 2kh2 s LEU 80 CO 0.00 -0.24 0.70 0.00 -1.32 0.00 0.00 176.35 175.50 2kh2 s GLN 81 N -2.97 1.88 -0.37 1.98 -2.07 -0.50 -4.87 119.66 112.75 2kh2 s GLN 81 Ca 0.56 -1.16 -0.11 0.00 -1.82 0.00 0.00 55.36 52.83 2kh2 s GLN 81 Cb -0.10 0.59 0.02 0.00 -1.09 0.00 0.00 33.01 32.43 2kh2 s GLN 81 CO 0.16 -0.86 0.21 -0.51 -1.32 0.00 0.00 175.29 172.98 2kh2 s LEU 82 N -2.98 4.65 -0.18 2.60 2.01 -1.26 -0.17 118.68 123.35 2kh2 s LEU 82 Ca 0.14 -0.85 -0.09 0.00 0.01 0.00 0.00 54.13 53.34 2kh2 s LEU 82 Cb -0.05 -2.05 -0.05 0.00 0.01 0.00 0.00 46.19 44.06 2kh2 s LEU 82 CO 0.09 -0.35 0.11 -0.70 1.01 0.00 0.00 176.35 176.51 2kh2 s GLU 83 N 1.59 3.97 -0.42 1.70 2.12 0.36 -4.88 118.70 123.15 2kh2 s GLU 83 Ca 0.03 -0.23 -0.21 0.00 0.36 0.00 0.00 54.97 54.92 2kh2 s GLU 83 Cb -0.19 -3.32 0.02 0.00 0.26 0.00 0.00 34.13 30.91 2kh2 s GLU 83 CO 0.07 0.39 0.67 -1.54 -0.54 0.00 0.00 175.26 174.32 2kh2 s SER 84 N 0.07 6.37 0.31 -1.70 1.04 -1.26 -1.78 113.70 116.74 2kh2 s SER 84 Ca 0.08 -0.17 0.08 0.00 0.48 0.00 0.00 55.95 56.43 2kh2 s SER 84 Cb -0.11 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 2kh2 s SER 84 CO -0.00 -0.76 0.12 0.68 0.98 0.00 0.00 173.24 174.26 2kh2 s VAL 85 N 2.88 3.39 -0.21 5.02 -7.23 -1.08 -5.05 120.40 118.11 2kh2 s VAL 85 Ca 0.24 -1.68 -0.33 0.00 -1.81 0.00 0.00 61.98 58.40 2kh2 s VAL 85 Cb -0.14 -3.02 -0.10 0.00 0.56 0.00 0.00 36.38 33.69 2kh2 s VAL 85 CO 0.19 -0.26 2.09 -0.67 -0.31 0.00 0.00 175.10 176.13 2kh2 n ASP 86 N -1.10 2.98 0.30 4.85 2.03 -1.26 -4.83 116.55 119.52 2kh2 n ASP 86 Ca -0.05 0.56 0.20 0.00 0.52 0.00 0.00 54.79 56.03 2kh2 n ASP 86 Cb 0.60 -1.39 1.02 0.00 -0.72 0.00 0.00 41.12 40.63 2kh2 n ASP 86 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2kh2 h PRO 87 N 12.03 0.00 0.00 -0.67 0.13 -1.93 -1.51 132.00 140.05 2kh2 h PRO 87 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2kh2 h PRO 87 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kh2 h PRO 87 CO 0.98 0.00 -1.10 0.36 -0.23 0.00 0.00 178.00 178.00 2kh2 n LYS 88 N -2.98 0.48 -0.17 0.86 2.85 -1.26 -3.97 118.16 113.98 2kh2 n LYS 88 Ca -0.02 0.04 0.07 0.00 -1.05 0.00 0.00 58.31 57.35 2kh2 n LYS 88 Cb 0.13 -1.70 0.16 0.00 -0.65 0.00 0.00 35.03 32.97 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 -2.35 2.94 -3.97 -5.58 3.02 -0.66 -4.96 115.26 103.71 2kh2 n ASN 89 Ca 0.00 -1.89 -0.11 0.00 -0.03 0.00 0.00 54.58 52.56 2kh2 n ASN 89 Cb 0.51 -0.22 -0.12 0.00 -0.61 0.00 0.00 39.78 39.34 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 -1.07 0.28 0.78 3.10 1.51 -0.66 -4.55 117.35 116.74 2kh2 s TYR 90 Ca 0.27 -0.36 -0.09 0.00 -1.01 0.00 0.00 57.07 55.88 2kh2 s TYR 90 Cb 0.15 -0.19 0.17 0.00 -0.11 0.00 0.00 41.96 41.98 2kh2 s TYR 90 CO 0.20 -0.11 1.07 -0.35 -1.11 0.00 0.00 175.55 175.25 2kh2 n PRO 91 N 2.05 -0.70 -3.88 -1.71 -0.04 -1.26 -4.75 135.00 124.72 2kh2 n PRO 91 Ca -0.20 -2.08 -0.09 0.00 -0.04 0.00 0.00 63.50 61.09 2kh2 n PRO 91 Cb 0.56 -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 -5.28 0.99 0.08 0.54 -2.85 -1.26 -5.07 119.74 106.89 2kh2 s LYS 92 Ca 0.64 -1.02 -0.18 0.00 -1.00 0.00 0.00 55.97 54.41 2kh2 s LYS 92 Cb -0.02 0.37 -0.10 0.00 -2.06 0.00 0.00 37.83 36.02 2kh2 s LYS 92 CO 0.44 -0.34 1.44 -0.22 0.10 0.00 0.00 175.35 176.77 2kh2 h LYS 93 N 2.63 0.51 -3.91 1.78 3.64 -1.97 -3.37 116.57 115.88 2kh2 h LYS 93 Ca -0.33 -0.22 -0.78 0.00 -1.27 0.00 0.00 60.65 58.05 2kh2 h LYS 93 Cb 1.22 -0.01 -0.25 0.00 -0.41 0.00 0.00 32.23 32.77 2kh2 h LYS 93 CO 0.52 0.77 0.10 0.21 -2.27 0.00 0.00 179.45 178.78 2kh2 s LYS 94 N -4.60 3.54 0.66 1.90 2.47 -1.26 -3.59 119.74 118.86 2kh2 s LYS 94 Ca -0.13 -2.35 -0.06 0.00 -1.56 0.00 0.00 55.97 51.87 2kh2 s LYS 94 Cb 0.07 -4.43 0.04 0.00 -1.46 0.00 0.00 37.83 32.05 2kh2 s LYS 94 CO 0.77 -1.32 0.96 -1.64 0.16 0.00 0.00 175.35 174.29 2kh2 s MET 95 N 0.42 2.43 0.62 4.03 -1.94 -1.26 -5.05 119.30 118.55 2kh2 s MET 95 Ca 0.17 -0.25 -0.17 0.00 -1.71 0.00 0.00 55.69 53.74 2kh2 s MET 95 Cb -0.12 -2.23 -0.02 0.00 2.01 0.00 0.00 34.83 34.47 2kh2 s MET 95 CO -0.08 -1.03 1.13 -1.21 -0.01 0.00 0.00 175.02 173.82 2kh2 s GLU 96 N -5.12 2.94 0.58 2.03 8.01 -1.26 -4.87 118.70 121.01 2kh2 s GLU 96 Ca 0.58 1.52 0.28 0.00 0.01 0.00 0.00 54.97 57.35 2kh2 s GLU 96 Cb -0.11 -1.96 1.58 0.00 -4.31 0.00 0.00 34.13 29.34 2kh2 s GLU 96 CO 0.44 -1.16 2.07 -0.22 0.01 0.00 0.00 175.26 176.40 2kh2 h LYS 97 N 0.44 0.00 0.00 1.61 1.63 -1.97 0.99 116.57 119.27 2kh2 h LYS 97 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2kh2 h LYS 97 Cb 1.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2kh2 h LYS 97 CO 0.55 0.00 -0.00 2.89 -3.45 0.00 0.00 179.45 179.43 2kh2 n ARG 98 N -3.91 0.02 -0.04 1.90 1.85 -1.26 -3.13 116.66 112.09 2kh2 n ARG 98 Ca 0.03 0.02 0.05 0.00 -1.00 0.00 0.00 57.85 56.95 2kh2 n ARG 98 Cb 0.38 -1.52 0.07 0.00 -1.05 0.00 0.00 32.46 30.34 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 -1.56 0.11 -3.75 2.89 3.72 0.32 -0.61 117.46 118.59 2kh2 n PHE 99 Ca 0.07 -0.12 -0.36 0.00 -0.05 0.00 0.00 57.45 56.99 2kh2 n PHE 99 Cb 0.35 -0.01 -0.10 0.00 -0.94 0.00 0.00 39.48 38.78 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 -0.92 5.07 0.11 -4.37 1.01 -1.04 -4.10 120.40 116.16 2kh2 s VAL 100 Ca 0.15 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.29 2kh2 s VAL 100 Cb 0.10 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2kh2 s VAL 100 CO 0.14 0.36 -0.14 -0.36 0.00 0.00 0.00 175.10 175.10 2kh2 s PHE 101 N 1.05 2.64 -0.47 5.22 0.08 0.54 -2.08 117.98 124.96 2kh2 s PHE 101 Ca 0.06 -0.21 -0.10 0.00 0.12 0.00 0.00 56.93 56.81 2kh2 s PHE 101 Cb -0.14 -1.39 0.11 0.00 -0.57 0.00 0.00 43.02 41.03 2kh2 s PHE 101 CO 0.04 0.41 0.34 1.21 -0.10 0.00 0.00 175.22 177.12 2kh2 s ASN 102 N -2.16 5.74 -0.51 1.36 3.04 0.25 -1.01 114.94 121.65 2kh2 s ASN 102 Ca 0.20 -1.80 -0.28 0.00 0.04 0.00 0.00 52.86 51.02 2kh2 s ASN 102 Cb -0.11 -2.03 0.01 0.00 -1.54 0.00 0.00 41.25 37.58 2kh2 s ASN 102 CO 0.12 -0.67 1.46 -0.75 -3.04 0.00 0.00 177.10 174.21 2kh2 s LYS 103 N 1.40 3.34 0.24 0.43 2.20 -0.45 -1.34 119.74 125.57 2kh2 s LYS 103 Ca 0.05 0.65 -0.12 0.00 -0.36 0.00 0.00 55.97 56.19 2kh2 s LYS 103 Cb -0.26 -4.11 -0.08 0.00 -1.51 0.00 0.00 37.83 31.87 2kh2 s LYS 103 CO 0.00 -1.87 0.60 0.42 -0.36 0.00 0.00 175.35 174.15 2kh2 s ILE 104 N 6.09 4.84 -0.55 5.43 1.01 0.92 -1.64 121.20 137.30 2kh2 s ILE 104 Ca 0.57 0.67 0.07 0.00 0.00 0.00 0.00 60.65 61.96 2kh2 s ILE 104 Cb -0.12 -3.64 0.26 0.00 0.01 0.00 0.00 42.46 38.97 2kh2 s ILE 104 CO 0.27 -0.04 0.70 -0.62 0.00 0.00 0.00 174.94 175.26 2kh2 n GLU 105 N -0.02 2.02 0.22 2.79 1.02 -1.19 -1.74 120.64 123.74 2kh2 n GLU 105 Ca 0.00 -4.23 -0.09 0.00 -0.02 0.00 0.00 57.16 52.83 2kh2 n GLU 105 Cb 0.52 -1.94 -0.04 0.00 -0.02 0.00 0.00 31.44 29.96 2kh2 n GLU 105 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 2kh2 h ILE 106 N 2.73 0.00 0.00 -3.67 3.07 -1.93 -3.48 117.51 114.23 2kh2 h ILE 106 Ca 0.15 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 66.51 2kh2 h ILE 106 Cb 0.72 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.27 2kh2 h ILE 106 CO 0.72 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.36 2kh2 n ASN 107 N -3.68 0.00 -0.01 2.16 0.23 -1.26 -5.00 115.26 107.71 2kh2 n ASN 107 Ca -0.07 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.05 2kh2 n ASN 107 Cb 0.23 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.78 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 0.16 -4.92 0.53 5.03 -1.26 -4.93 115.26 109.87 2kh2 n ASN 108 Ca 0.00 0.06 -0.28 0.00 0.87 0.00 0.00 54.58 55.23 2kh2 n ASN 108 Cb 0.00 1.54 -0.03 0.00 -1.02 0.00 0.00 39.78 40.27 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 -3.30 3.58 -0.08 3.52 -0.14 -1.26 -5.04 119.74 117.01 2kh2 s LYS 109 Ca -0.07 -0.17 -0.00 0.00 -1.36 0.00 0.00 55.97 54.37 2kh2 s LYS 109 Cb 0.12 -2.74 -0.03 0.00 -1.68 0.00 0.00 37.83 33.50 2kh2 s LYS 109 CO 0.88 0.31 -0.05 -0.51 -0.76 0.00 0.00 175.35 175.21 2kh2 s LEU 110 N -3.43 3.24 0.11 3.17 1.43 -0.47 -4.06 118.68 118.67 2kh2 s LEU 110 Ca 0.41 -0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.58 2kh2 s LEU 110 Cb -0.11 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 2kh2 s LEU 110 CO 0.29 0.33 -0.16 -1.61 0.23 0.00 0.00 176.35 175.44 2kh2 s GLU 111 N -0.63 1.89 -0.36 1.70 2.02 -0.71 -0.05 118.70 122.56 2kh2 s GLU 111 Ca 0.10 -1.13 -0.01 0.00 0.02 0.00 0.00 54.97 53.95 2kh2 s GLU 111 Cb -0.12 -2.17 0.09 0.00 0.10 0.00 0.00 34.13 32.03 2kh2 s GLU 111 CO 0.02 0.49 0.11 -0.06 0.02 0.00 0.00 175.26 175.84 2kh2 s PHE 112 N -1.16 3.51 0.16 1.61 0.40 -1.26 -0.05 117.98 121.19 2kh2 s PHE 112 Ca 0.19 -2.33 -0.07 0.00 -0.60 0.00 0.00 56.93 54.12 2kh2 s PHE 112 Cb -0.11 -2.79 -0.06 0.00 0.51 0.00 0.00 43.02 40.57 2kh2 s PHE 112 CO 0.11 -0.91 0.44 -2.00 0.70 0.00 0.00 175.22 173.55 2kh2 s GLU 113 N 1.14 3.70 -0.07 0.44 2.12 -0.45 -1.28 118.70 124.31 2kh2 s GLU 113 Ca 0.04 0.07 -0.26 0.00 0.36 0.00 0.00 54.97 55.18 2kh2 s GLU 113 Cb -0.21 -2.81 -0.03 0.00 0.26 0.00 0.00 34.13 31.34 2kh2 s GLU 113 CO -0.04 0.43 0.82 0.45 -0.54 0.00 0.00 175.26 176.39 2kh2 s SER 114 N -2.30 7.11 0.17 -1.70 0.15 0.37 0.86 113.70 118.36 2kh2 s SER 114 Ca 0.42 1.34 -0.09 0.00 0.70 0.00 0.00 55.95 58.32 2kh2 s SER 114 Cb -0.12 -2.47 0.05 0.00 -1.71 0.00 0.00 66.02 61.77 2kh2 s SER 114 CO 0.22 -0.22 1.59 0.00 1.20 0.00 0.00 173.24 176.03 2kh2 h ALA 115 N 6.89 0.76 -0.19 5.45 0.00 -1.67 -3.07 119.26 127.43 2kh2 h ALA 115 Ca -0.38 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 2kh2 h ALA 115 Cb 1.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2kh2 h ALA 115 CO 0.77 0.67 0.10 0.37 0.00 0.00 0.00 179.25 181.16 2kh2 h GLN 116 N 0.88 0.27 -4.66 0.00 5.75 -1.73 -3.38 115.11 112.23 2kh2 h GLN 116 Ca 0.13 -0.04 -0.67 0.00 -0.15 0.00 0.00 58.65 57.93 2kh2 h GLN 116 Cb 0.72 -0.05 -0.39 0.00 1.07 0.00 0.00 27.48 28.83 2kh2 h GLN 116 CO 0.06 0.28 -0.69 -0.06 -2.65 0.00 0.00 178.83 175.76 2kh2 s PHE 117 N -5.78 3.74 0.54 3.99 0.08 -1.16 -5.09 117.98 114.29 2kh2 s PHE 117 Ca -0.13 -2.91 -0.21 0.00 0.12 0.00 0.00 56.93 53.79 2kh2 s PHE 117 Cb 0.08 -2.97 -0.05 0.00 -0.57 0.00 0.00 43.02 39.50 2kh2 s PHE 117 CO 0.70 -0.95 1.24 -2.14 -0.10 0.00 0.00 175.22 173.97 2kh2 s PRO 118 N 0.94 3.27 0.00 0.24 0.02 -1.21 -2.60 135.00 135.65 2kh2 s PRO 118 Ca 0.10 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.07 2kh2 s PRO 118 Cb -0.20 -2.18 0.00 0.00 0.02 0.00 0.00 34.50 32.14 2kh2 s PRO 118 CO -0.07 -1.00 0.00 0.09 -0.33 0.00 0.00 177.00 175.68 2kh2 n ASN 119 N -1.07 -0.40 -4.38 2.53 3.02 -1.26 -4.98 115.26 108.72 2kh2 n ASN 119 Ca 0.11 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.29 2kh2 n ASN 119 Cb 0.48 -0.67 -0.13 0.00 -0.61 0.00 0.00 39.78 38.85 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2kh2 s TRP 120 N -3.12 3.09 0.25 3.10 0.52 -1.07 -4.35 118.94 117.35 2kh2 s TRP 120 Ca 0.00 -0.73 0.11 0.00 0.02 0.00 0.00 56.10 55.50 2kh2 s TRP 120 Cb 0.00 -2.22 -0.05 0.00 -1.15 0.00 0.00 33.47 30.05 2kh2 s TRP 120 CO 0.00 -0.48 -0.19 0.71 0.02 0.00 0.00 176.95 177.01 2kh2 s TYR 121 N 1.55 2.36 -0.19 -1.98 1.51 0.54 -0.48 117.35 120.66 2kh2 s TYR 121 Ca 0.05 -0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 55.50 2kh2 s TYR 121 Cb -0.16 -1.08 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 2kh2 s TYR 121 CO 0.02 0.63 1.64 0.42 -1.11 0.00 0.00 175.55 177.15 2kh2 s ILE 122 N -2.18 3.65 0.24 2.71 1.01 -0.40 -0.51 121.20 125.71 2kh2 s ILE 122 Ca 0.27 0.74 0.10 0.00 0.00 0.00 0.00 60.65 61.77 2kh2 s ILE 122 Cb -0.06 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 2kh2 s ILE 122 CO 0.14 -0.23 -0.10 -0.44 0.00 0.00 0.00 174.94 174.30 2kh2 s SER 123 N 4.18 4.11 -0.01 3.58 0.01 0.46 -4.45 113.70 121.59 2kh2 s SER 123 Ca 0.73 -0.74 0.01 0.00 1.31 0.00 0.00 55.95 57.26 2kh2 s SER 123 Cb -0.27 -0.62 -0.00 0.00 0.21 0.00 0.00 66.02 65.34 2kh2 s SER 123 CO 0.29 0.05 -0.05 0.42 0.41 0.00 0.00 173.24 174.37 2kh2 s THR 124 N -2.11 0.39 0.79 1.44 -4.23 -0.11 -2.58 115.64 109.24 2kh2 s THR 124 Ca 0.28 -0.20 -0.12 0.00 -1.18 0.00 0.00 61.69 60.48 2kh2 s THR 124 Cb -0.07 -0.34 0.07 0.00 1.34 0.00 0.00 72.50 73.50 2kh2 s THR 124 CO 0.16 0.12 1.10 -0.44 -0.54 0.00 0.00 174.62 175.02 2kh2 s SER 125 N -0.02 4.54 0.32 3.99 0.01 -1.26 -0.06 113.70 121.21 2kh2 s SER 125 Ca 0.01 1.26 0.17 0.00 1.31 0.00 0.00 55.95 58.69 2kh2 s SER 125 Cb -0.03 -1.98 0.22 0.00 0.21 0.00 0.00 66.02 64.44 2kh2 s SER 125 CO -0.00 -1.93 1.52 1.56 0.41 0.00 0.00 173.24 174.79 2kh2 h GLN 126 N -1.07 0.00 -7.18 12.44 1.08 -1.96 -3.45 115.11 114.97 2kh2 h GLN 126 Ca -0.47 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.22 2kh2 h GLN 126 Cb 1.27 0.00 0.10 0.00 -0.05 0.00 0.00 27.48 28.80 2kh2 h GLN 126 CO 0.60 0.42 0.39 0.00 -0.95 0.00 0.00 178.83 179.29 2kh2 s ALA 127 N -3.10 2.51 0.32 3.87 0.00 -1.26 -5.02 121.76 119.08 2kh2 s ALA 127 Ca 0.04 0.60 -0.19 0.00 0.00 0.00 0.00 51.96 52.41 2kh2 s ALA 127 Cb 0.08 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 2kh2 s ALA 127 CO 0.72 -1.19 0.81 -2.00 0.00 0.00 0.00 175.76 174.11 2kh2 s GLU 128 N -3.94 4.21 -1.01 0.00 2.56 -1.26 -3.99 118.70 115.28 2kh2 s GLU 128 Ca 0.68 0.93 -0.00 0.00 0.00 0.00 0.00 54.97 56.58 2kh2 s GLU 128 Cb -0.21 -2.56 0.00 0.00 2.00 0.00 0.00 34.13 33.36 2kh2 s GLU 128 CO 0.39 0.20 0.04 -1.71 -0.56 0.00 0.00 175.26 173.62 2kh2 n ASN 129 N 0.03 -3.85 -4.87 -1.70 5.15 -1.13 -5.01 115.26 103.87 2kh2 n ASN 129 Ca 0.02 -0.03 -0.36 0.00 -0.60 0.00 0.00 54.58 53.61 2kh2 n ASN 129 Cb 0.52 -3.03 -0.06 0.00 -0.53 0.00 0.00 39.78 36.69 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 -4.66 3.60 1.02 1.20 -1.94 -1.19 -4.84 119.30 112.49 2kh2 s MET 130 Ca 0.02 0.01 -0.15 0.00 -1.71 0.00 0.00 55.69 53.86 2kh2 s MET 130 Cb -0.01 -3.15 0.20 0.00 2.01 0.00 0.00 34.83 33.88 2kh2 s MET 130 CO 0.02 0.71 1.14 -1.25 -0.01 0.00 0.00 175.02 175.63 2kh2 s PRO 131 N -1.35 0.21 -0.18 2.03 0.04 -1.26 -0.24 135.00 134.24 2kh2 s PRO 131 Ca 0.22 0.14 -0.12 0.00 0.04 0.00 0.00 61.00 61.29 2kh2 s PRO 131 Cb -0.13 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 2kh2 s PRO 131 CO 0.11 -2.80 0.20 0.08 0.04 0.00 0.00 177.00 174.64 2kh2 s VAL 132 N -3.21 5.36 0.30 -0.36 1.01 -1.01 -4.55 120.40 117.94 2kh2 s VAL 132 Ca 0.67 0.34 0.04 0.00 0.00 0.00 0.00 61.98 63.04 2kh2 s VAL 132 Cb -0.13 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2kh2 s VAL 132 CO 0.55 0.42 0.26 0.72 0.00 0.00 0.00 175.10 177.05 2kh2 s PHE 133 N 0.42 1.53 -0.21 5.22 -0.71 -1.06 -4.85 117.98 118.31 2kh2 s PHE 133 Ca 0.12 -1.55 -0.12 0.00 -1.04 0.00 0.00 56.93 54.34 2kh2 s PHE 133 Cb -0.12 -0.61 -0.05 0.00 -1.21 0.00 0.00 43.02 41.04 2kh2 s PHE 133 CO 0.01 -0.84 0.23 -1.17 -1.34 0.00 0.00 175.22 172.11 2kh2 s LEU 134 N -3.30 4.17 0.13 -1.99 2.96 -1.26 -0.40 118.68 118.98 2kh2 s LEU 134 Ca 0.39 0.30 0.07 0.00 -0.22 0.00 0.00 54.13 54.67 2kh2 s LEU 134 Cb 0.03 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 2kh2 s LEU 134 CO 0.23 0.06 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.32 2kh2 s GLY 135 N 0.82 1.19 0.00 7.98 0.00 0.33 -4.88 107.32 112.76 2kh2 s GLY 135 Ca 0.12 -1.33 0.12 0.00 0.00 0.00 0.00 44.72 43.63 2kh2 s GLY 135 CO 0.04 -1.38 0.78 0.61 0.00 0.00 0.00 173.10 173.15 2kh2 n GLY 136 N 0.58 -0.15 3.46 0.20 0.00 -1.26 -0.34 105.19 107.68 2kh2 n GLY 136 Ca -0.16 -0.35 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 2kh2 n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kh2 s THR 137 N -1.32 5.03 -0.10 2.61 -4.23 -1.26 -4.90 115.64 111.47 2kh2 s THR 137 Ca 0.12 -2.62 -0.30 0.00 -1.18 0.00 0.00 61.69 57.71 2kh2 s THR 137 Cb 0.10 -4.91 -0.04 0.00 1.34 0.00 0.00 72.50 68.99 2kh2 s THR 137 CO 0.24 -1.62 1.42 -0.75 -0.54 0.00 0.00 174.62 173.37 2kh2 s LYS 138 N 1.60 4.22 -0.49 3.99 2.20 -1.26 -2.67 119.74 127.33 2kh2 s LYS 138 Ca 0.43 1.90 0.00 0.00 -0.36 0.00 0.00 55.97 57.93 2kh2 s LYS 138 Cb -0.03 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 32.48 2kh2 s LYS 138 CO -0.00 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.67 2kh2 n GLY 139 N 3.80 0.26 0.00 5.54 0.00 -1.26 -5.01 105.19 108.51 2kh2 n GLY 139 Ca 0.15 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2kh2 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 140 N -1.23 0.62 0.04 -0.02 0.00 -1.09 -5.04 105.19 98.48 2kh2 n GLY 140 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.03 -7.06 1.61 7.50 -1.95 -3.46 115.11 111.72 2kh2 h GLN 141 Ca 0.00 0.00 -0.50 0.00 0.50 0.00 0.00 58.65 58.65 2kh2 h GLN 141 Cb 0.00 0.01 0.07 0.00 0.05 0.00 0.00 27.48 27.60 2kh2 h GLN 141 CO 0.00 -0.02 0.44 -0.51 -1.50 0.00 0.00 178.83 177.25 2kh2 s ASP 142 N -4.49 5.92 -0.01 1.46 1.01 -1.26 -4.67 116.67 114.63 2kh2 s ASP 142 Ca -0.00 2.20 -0.26 0.00 0.71 0.00 0.00 52.55 55.19 2kh2 s ASP 142 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2kh2 s ASP 142 CO 0.01 -1.08 0.81 -0.63 0.21 0.00 0.00 175.17 174.49 2kh2 s ILE 143 N -1.71 4.90 -0.41 0.77 1.01 0.91 -4.56 121.20 122.11 2kh2 s ILE 143 Ca 0.69 1.70 0.11 0.00 0.00 0.00 0.00 60.65 63.15 2kh2 s ILE 143 Cb -0.25 -4.15 -0.14 0.00 0.01 0.00 0.00 42.46 37.93 2kh2 s ILE 143 CO 0.29 0.25 0.42 0.35 0.00 0.00 0.00 174.94 176.25 2kh2 n THR 144 N 3.57 0.00 -3.44 2.92 -2.24 -1.26 -0.93 114.28 112.89 2kh2 n THR 144 Ca 0.01 -0.24 -0.35 0.00 -2.27 0.00 0.00 64.05 61.20 2kh2 n THR 144 Cb 0.51 0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 69.50 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 -2.36 6.73 0.13 3.42 -4.77 -1.26 -4.16 116.67 114.41 2kh2 s ASP 145 Ca 0.02 0.96 -0.00 0.00 -3.30 0.00 0.00 52.55 50.23 2kh2 s ASP 145 Cb 0.08 -2.24 -0.04 0.00 -1.09 0.00 0.00 42.92 39.63 2kh2 s ASP 145 CO 0.47 0.10 0.03 -0.36 0.70 0.00 0.00 175.17 176.10 2kh2 s PHE 146 N -1.50 0.91 -0.14 2.11 0.08 0.93 -4.26 117.98 116.12 2kh2 s PHE 146 Ca 0.38 -1.16 0.03 0.00 0.12 0.00 0.00 56.93 56.30 2kh2 s PHE 146 Cb -0.14 -0.52 0.01 0.00 -0.57 0.00 0.00 43.02 41.80 2kh2 s PHE 146 CO 0.19 -0.42 -0.22 0.99 -0.10 0.00 0.00 175.22 175.66 2kh2 s THR 147 N -3.93 2.07 -0.87 0.64 2.01 0.13 -1.37 115.64 114.32 2kh2 s THR 147 Ca 0.22 -0.98 -0.12 0.00 0.31 0.00 0.00 61.69 61.12 2kh2 s THR 147 Cb 0.07 -1.82 0.23 0.00 0.01 0.00 0.00 72.50 70.99 2kh2 s THR 147 CO 0.01 0.55 0.81 -0.32 -0.69 0.00 0.00 174.62 174.98 2kh2 s MET 148 N 0.76 3.64 -0.22 4.92 1.75 -1.25 -1.71 119.30 127.18 2kh2 s MET 148 Ca -0.08 -2.65 -0.29 0.00 -1.25 0.00 0.00 55.69 51.42 2kh2 s MET 148 Cb -0.16 -4.39 0.00 0.00 2.84 0.00 0.00 34.83 33.12 2kh2 s MET 148 CO -0.01 -1.27 1.15 -0.65 -0.65 0.00 0.00 175.02 173.59 2kh2 s GLN 149 N -0.19 4.20 0.02 4.11 1.11 -0.95 -4.78 119.66 123.18 2kh2 s GLN 149 Ca 0.21 1.43 -0.27 0.00 0.01 0.00 0.00 55.36 56.73 2kh2 s GLN 149 Cb -0.11 -3.72 -0.04 0.00 -1.01 0.00 0.00 33.01 28.13 2kh2 s GLN 149 CO -0.08 -0.73 0.86 -0.06 0.01 0.00 0.00 175.29 175.28 2kh2 s PHE 150 N 3.47 3.69 0.50 0.91 0.08 -1.26 -0.65 117.98 124.71 2kh2 s PHE 150 Ca 0.49 1.56 0.06 0.00 0.12 0.00 0.00 56.93 59.16 2kh2 s PHE 150 Cb -0.17 -2.96 0.06 0.00 -0.57 0.00 0.00 43.02 39.38 2kh2 s PHE 150 CO 0.12 0.12 0.50 1.33 -0.10 0.00 0.00 175.22 177.19 2kh2 n VAL 151 N 3.40 0.00 -1.22 -0.44 0.24 -1.22 -4.99 118.33 114.10 2kh2 n VAL 151 Ca 0.02 -1.84 -0.24 0.00 -2.04 0.00 0.00 64.34 60.23 2kh2 n VAL 151 Cb 0.51 -0.28 -0.10 0.00 -1.47 0.00 0.00 33.84 32.50 2kh2 n VAL 151 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2kh2 n SER 152 N -2.07 6.71 0.00 -1.34 7.64 -1.26 -4.91 113.62 118.38 2kh2 n SER 152 Ca 0.05 -2.63 0.00 0.00 1.01 0.00 0.00 58.87 57.30 2kh2 n SER 152 Cb 0.54 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83