#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 0.69 -5.11 0.00 0.11 -2.08 -3.41 132.00 122.19 2kh2 h PRO 2 Ca 0.00 -0.25 -0.66 0.00 0.11 0.00 0.00 66.00 65.20 2kh2 h PRO 2 Cb 0.00 -0.04 -0.30 0.00 0.11 0.00 0.00 31.00 30.77 2kh2 h PRO 2 CO 0.00 0.83 -0.78 0.54 -0.21 0.00 0.00 178.00 178.38 2kh2 s VAL 3 N -4.64 2.90 0.02 3.15 0.11 -1.26 -5.11 120.40 115.57 2kh2 s VAL 3 Ca -0.09 -0.67 -0.01 0.00 -2.93 0.00 0.00 61.98 58.28 2kh2 s VAL 3 Cb 0.14 -2.26 -0.04 0.00 -1.53 0.00 0.00 36.38 32.68 2kh2 s VAL 3 CO 0.82 0.49 0.19 -0.13 -3.33 0.00 0.00 175.10 173.14 2kh2 s ARG 4 N 1.08 3.43 -0.15 1.54 0.52 -1.26 -5.02 118.95 119.08 2kh2 s ARG 4 Ca -0.00 -0.38 -0.13 0.00 -0.52 0.00 0.00 55.73 54.70 2kh2 s ARG 4 Cb -0.15 -3.06 0.04 0.00 0.52 0.00 0.00 34.95 32.30 2kh2 s ARG 4 CO -0.03 0.64 0.39 -1.12 0.02 0.00 0.00 175.30 175.21 2kh2 s SER 5 N -2.22 -0.43 0.40 0.23 0.01 -1.26 -2.36 113.70 108.07 2kh2 s SER 5 Ca 0.31 0.81 0.07 0.00 1.31 0.00 0.00 55.95 58.44 2kh2 s SER 5 Cb -0.13 0.79 -0.08 0.00 0.21 0.00 0.00 66.02 66.81 2kh2 s SER 5 CO 0.23 -0.15 0.01 -1.48 0.41 0.00 0.00 173.24 172.27 2kh2 s LEU 6 N 0.46 2.79 -0.02 2.44 0.05 -0.83 -4.93 118.68 118.63 2kh2 s LEU 6 Ca -0.02 -1.36 0.06 0.00 0.05 0.00 0.00 54.13 52.85 2kh2 s LEU 6 Cb -0.04 -0.84 -0.01 0.00 -2.05 0.00 0.00 46.19 43.25 2kh2 s LEU 6 CO -0.02 -0.46 -0.20 0.20 -0.55 0.00 0.00 176.35 175.32 2kh2 s ASN 7 N -3.68 2.35 0.25 1.48 0.01 -1.26 0.13 114.94 114.23 2kh2 s ASN 7 Ca 0.35 -0.37 -0.19 0.00 -0.71 0.00 0.00 52.86 51.95 2kh2 s ASN 7 Cb 0.10 -0.35 0.02 0.00 0.41 0.00 0.00 41.25 41.42 2kh2 s ASN 7 CO 0.18 0.23 0.63 0.00 -1.51 0.00 0.00 177.10 176.62 2kh2 s THR 9 N -3.93 3.37 -0.10 0.00 -4.23 0.60 -0.44 115.64 110.92 2kh2 s THR 9 Ca 0.13 -1.23 0.02 0.00 -1.18 0.00 0.00 61.69 59.44 2kh2 s THR 9 Cb -0.04 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 2kh2 s THR 9 CO 0.05 0.14 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.33 2kh2 s LEU 10 N -2.12 2.47 0.03 4.79 1.43 -1.26 -1.65 118.68 122.36 2kh2 s LEU 10 Ca 0.21 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 2kh2 s LEU 10 Cb -0.11 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 2kh2 s LEU 10 CO 0.13 0.21 -0.09 -0.13 0.23 0.00 0.00 176.35 176.69 2kh2 s ARG 11 N 0.09 0.64 0.85 1.70 0.52 -1.17 -3.50 118.95 118.09 2kh2 s ARG 11 Ca -0.08 -0.63 -0.08 0.00 -0.52 0.00 0.00 55.73 54.42 2kh2 s ARG 11 Cb -0.15 -0.54 0.17 0.00 0.52 0.00 0.00 34.95 34.95 2kh2 s ARG 11 CO 0.05 0.13 1.16 0.16 0.02 0.00 0.00 175.30 176.82 2kh2 s ASP 12 N -1.10 3.65 0.00 0.23 1.47 0.21 -0.74 116.67 120.39 2kh2 s ASP 12 Ca -0.03 -0.15 0.14 0.00 1.18 0.00 0.00 52.55 53.68 2kh2 s ASP 12 Cb -0.07 -0.01 0.62 0.00 -0.34 0.00 0.00 42.92 43.11 2kh2 s ASP 12 CO 0.01 -2.35 1.41 -1.54 0.68 0.00 0.00 175.17 173.37 2kh2 n SER 13 N -3.31 0.00 -1.35 2.11 3.41 -1.25 -2.05 113.62 111.18 2kh2 n SER 13 Ca 0.16 0.36 0.09 0.00 -0.26 0.00 0.00 58.87 59.22 2kh2 n SER 13 Cb 0.60 -0.43 0.31 0.00 -0.26 0.00 0.00 64.21 64.44 2kh2 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kh2 n GLN 14 N -1.43 3.42 -1.56 4.33 1.13 -1.26 -4.92 117.38 117.10 2kh2 n GLN 14 Ca 0.04 -2.74 -0.12 0.00 -1.94 0.00 0.00 57.00 52.24 2kh2 n GLN 14 Cb 0.14 -1.76 -0.04 0.00 0.11 0.00 0.00 30.24 28.69 2kh2 n GLN 14 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2kh2 n GLN 15 N 0.92 -0.90 -3.50 -1.09 1.13 -0.87 -4.86 117.38 108.21 2kh2 n GLN 15 Ca 0.23 0.87 -0.38 0.00 -1.94 0.00 0.00 57.00 55.78 2kh2 n GLN 15 Cb 0.79 -4.93 -0.06 0.00 0.11 0.00 0.00 30.24 26.15 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 -3.40 3.93 0.27 -1.09 1.02 -1.26 -2.46 119.74 116.74 2kh2 s LYS 16 Ca 0.00 0.39 0.10 0.00 0.02 0.00 0.00 55.97 56.48 2kh2 s LYS 16 Cb 0.00 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 2kh2 s LYS 16 CO 0.00 0.66 -0.04 -1.12 -0.92 0.00 0.00 175.35 173.93 2kh2 s SER 17 N -0.95 4.39 -0.15 2.83 0.01 0.69 -0.62 113.70 119.90 2kh2 s SER 17 Ca 0.23 -0.70 -0.23 0.00 1.31 0.00 0.00 55.95 56.56 2kh2 s SER 17 Cb -0.16 -0.76 -0.02 0.00 0.21 0.00 0.00 66.02 65.28 2kh2 s SER 17 CO 0.13 0.01 0.72 -0.76 0.41 0.00 0.00 173.24 173.74 2kh2 s LEU 18 N -3.64 4.20 0.21 2.44 1.43 -1.23 -1.63 118.68 120.47 2kh2 s LEU 18 Ca 0.31 1.05 0.09 0.00 -1.03 0.00 0.00 54.13 54.55 2kh2 s LEU 18 Cb -0.06 -3.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.05 2kh2 s LEU 18 CO 0.19 -0.27 -0.16 0.68 0.23 0.00 0.00 176.35 177.02 2kh2 s VAL 19 N 1.67 1.87 -0.62 -1.59 -7.23 0.10 -0.28 120.40 114.33 2kh2 s VAL 19 Ca 0.34 -2.17 -0.28 0.00 -1.81 0.00 0.00 61.98 58.06 2kh2 s VAL 19 Cb -0.17 -2.04 0.03 0.00 0.56 0.00 0.00 36.38 34.77 2kh2 s VAL 19 CO 0.13 -0.50 1.24 -0.04 -0.31 0.00 0.00 175.10 175.62 2kh2 s MET 20 N -3.42 3.41 0.00 4.82 -1.94 -1.26 -1.15 119.30 119.75 2kh2 s MET 20 Ca 0.22 0.15 0.00 0.00 -1.71 0.00 0.00 55.69 54.35 2kh2 s MET 20 Cb -0.03 -4.07 0.00 0.00 2.01 0.00 0.00 34.83 32.75 2kh2 s MET 20 CO 0.08 -1.83 0.17 0.45 -0.01 0.00 0.00 175.02 173.88 2kh2 n SER 21 N 8.80 0.00 -0.42 3.03 2.88 0.05 -4.95 113.62 123.01 2kh2 n SER 21 Ca 0.08 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2kh2 n SER 21 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 1.46 3.04 0.19 0.46 0.00 -1.15 -4.94 105.19 104.24 2kh2 n GLY 22 Ca 0.00 -2.06 0.04 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.36 1.61 0.13 -2.04 -3.26 132.00 128.08 2kh2 h PRO 23 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.87 2kh2 h PRO 23 Cb 0.00 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 30.75 2kh2 h PRO 23 CO 0.00 0.36 -1.03 0.66 -0.23 0.00 0.00 178.00 177.77 2kh2 n TYR 24 N -3.94 1.15 -4.06 1.56 4.02 -1.26 -5.07 117.16 109.56 2kh2 n TYR 24 Ca -0.02 -1.78 -0.14 0.00 -0.01 0.00 0.00 57.90 55.95 2kh2 n TYR 24 Cb 0.42 -0.23 -0.14 0.00 -0.02 0.00 0.00 39.34 39.37 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 -2.95 0.28 0.03 -0.72 2.12 -1.23 -4.52 118.70 111.70 2kh2 s GLU 25 Ca 0.32 -0.13 0.08 0.00 0.36 0.00 0.00 54.97 55.61 2kh2 s GLU 25 Cb 0.35 -0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.45 2kh2 s GLU 25 CO -0.06 0.07 -0.24 -0.51 -0.54 0.00 0.00 175.26 173.98 2kh2 s LEU 26 N -0.10 2.14 0.14 2.70 1.43 -1.26 -0.77 118.68 122.95 2kh2 s LEU 26 Ca 0.01 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 52.63 2kh2 s LEU 26 Cb -0.01 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 2kh2 s LEU 26 CO -0.00 0.25 -0.11 -0.54 0.23 0.00 0.00 176.35 176.17 2kh2 s LYS 27 N -1.05 1.04 -0.17 1.70 1.02 -0.30 -1.86 119.74 120.12 2kh2 s LYS 27 Ca 0.10 -1.36 0.01 0.00 0.02 0.00 0.00 55.97 54.74 2kh2 s LYS 27 Cb -0.10 -0.72 0.02 0.00 -0.52 0.00 0.00 37.83 36.51 2kh2 s LYS 27 CO 0.01 0.11 -0.20 0.00 -0.92 0.00 0.00 175.35 174.35 2kh2 s ALA 28 N -2.86 2.34 0.06 5.17 0.00 0.93 0.03 121.76 127.43 2kh2 s ALA 28 Ca 0.13 -1.18 -0.06 0.00 0.00 0.00 0.00 51.96 50.85 2kh2 s ALA 28 Cb -0.00 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 2kh2 s ALA 28 CO 0.02 -0.26 0.11 -0.48 0.00 0.00 0.00 175.76 175.15 2kh2 s LEU 29 N 1.16 1.76 0.00 0.00 0.05 -0.65 -3.35 118.68 117.66 2kh2 s LEU 29 Ca 0.02 -0.67 -0.32 0.00 0.05 0.00 0.00 54.13 53.20 2kh2 s LEU 29 Cb -0.14 0.72 -0.11 0.00 -2.05 0.00 0.00 46.19 44.61 2kh2 s LEU 29 CO -0.09 -0.62 1.88 1.41 -0.55 0.00 0.00 176.35 178.38 2kh2 n HIS 30 N 0.29 2.43 -3.69 3.48 8.25 -1.26 -0.23 115.22 124.48 2kh2 n HIS 30 Ca -0.16 -0.12 -0.28 0.00 -0.26 0.00 0.00 57.72 56.89 2kh2 n HIS 30 Cb 0.61 -2.71 -0.12 0.00 1.12 0.00 0.00 29.99 28.89 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 3.75 3.17 -0.15 2.41 2.96 -1.03 -4.87 118.68 124.91 2kh2 s LEU 31 Ca 0.89 -3.24 0.15 0.00 -0.22 0.00 0.00 54.13 51.71 2kh2 s LEU 31 Cb -0.58 -1.10 0.41 0.00 0.50 0.00 0.00 46.19 45.42 2kh2 s LEU 31 CO 0.46 -0.17 1.20 0.00 -1.32 0.00 0.00 176.35 176.52 2kh2 n GLN 32 N 2.72 1.17 -0.31 1.98 1.13 -1.26 -4.82 117.38 117.99 2kh2 n GLN 32 Ca 0.19 -2.93 0.00 0.00 -1.94 0.00 0.00 57.00 52.32 2kh2 n GLN 32 Cb 0.39 -1.21 0.00 0.00 0.11 0.00 0.00 30.24 29.53 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 -0.73 6.98 0.06 1.08 0.00 -1.26 -5.01 105.19 106.32 2kh2 n GLY 33 Ca 0.15 -1.97 0.15 0.00 0.00 0.00 0.00 46.02 44.35 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 1.08 -0.52 1.61 -0.06 -1.26 -3.04 117.38 115.19 2kh2 n GLN 34 Ca 0.00 -0.12 0.08 0.00 -2.00 0.00 0.00 57.00 54.96 2kh2 n GLN 34 Cb 0.00 -1.48 0.31 0.00 -4.06 0.00 0.00 30.24 25.01 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 -0.83 4.15 0.30 1.69 5.68 -1.26 -4.33 116.55 121.95 2kh2 n ASP 35 Ca 0.22 -2.35 0.19 0.00 -0.50 0.00 0.00 54.79 52.36 2kh2 n ASP 35 Cb 0.14 -0.53 0.94 0.00 -1.14 0.00 0.00 41.12 40.53 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 2kh2 h MET 36 N 3.62 0.00 -0.02 0.11 4.05 -1.86 -1.99 114.93 118.85 2kh2 h MET 36 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kh2 h MET 36 Cb 1.25 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.05 2kh2 h MET 36 CO 0.18 0.02 0.00 0.39 0.23 0.00 0.00 176.91 177.74 2kh2 n GLU 37 N -3.20 1.08 -0.14 0.39 -0.58 -1.26 -3.13 120.64 113.80 2kh2 n GLU 37 Ca -0.01 -0.12 0.11 0.00 -0.42 0.00 0.00 57.16 56.72 2kh2 n GLU 37 Cb 0.19 -1.34 0.28 0.00 -0.57 0.00 0.00 31.44 29.99 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 -0.70 2.17 -1.84 3.49 6.02 -0.75 -4.95 117.38 120.83 2kh2 n GLN 38 Ca 0.16 -1.76 -0.30 0.00 -0.01 0.00 0.00 57.00 55.09 2kh2 n GLN 38 Cb 0.10 -1.46 0.06 0.00 1.02 0.00 0.00 30.24 29.96 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 -1.64 2.61 0.07 -1.09 -2.07 -1.18 -4.48 119.66 111.87 2kh2 s GLN 39 Ca 0.35 0.43 -0.23 0.00 -1.82 0.00 0.00 55.36 54.09 2kh2 s GLN 39 Cb 0.20 -1.99 -0.06 0.00 -1.09 0.00 0.00 33.01 30.06 2kh2 s GLN 39 CO 0.29 -1.21 0.71 0.08 -1.32 0.00 0.00 175.29 173.84 2kh2 s VAL 40 N -3.36 4.66 -0.22 3.63 1.01 0.61 -4.95 120.40 121.77 2kh2 s VAL 40 Ca 0.59 1.52 -0.08 0.00 0.00 0.00 0.00 61.98 64.01 2kh2 s VAL 40 Cb -0.12 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2kh2 s VAL 40 CO 0.52 0.45 0.09 -0.69 0.00 0.00 0.00 175.10 175.47 2kh2 s VAL 41 N -0.55 4.74 -0.16 2.92 1.01 -1.26 -4.50 120.40 122.60 2kh2 s VAL 41 Ca 0.35 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 2kh2 s VAL 41 Cb -0.21 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2kh2 s VAL 41 CO 0.22 0.38 0.07 -0.36 0.00 0.00 0.00 175.10 175.41 2kh2 s PHE 42 N 1.07 3.31 -0.23 5.22 0.08 0.42 -1.50 117.98 126.35 2kh2 s PHE 42 Ca 0.05 0.19 -0.18 0.00 0.12 0.00 0.00 56.93 57.11 2kh2 s PHE 42 Cb -0.14 -2.03 -0.03 0.00 -0.57 0.00 0.00 43.02 40.25 2kh2 s PHE 42 CO 0.04 0.30 0.50 -1.12 -0.10 0.00 0.00 175.22 174.84 2kh2 s SER 43 N -0.01 6.49 -0.44 1.36 0.01 0.56 -1.36 113.70 120.32 2kh2 s SER 43 Ca 0.07 0.59 -0.14 0.00 1.31 0.00 0.00 55.95 57.78 2kh2 s SER 43 Cb -0.12 -2.28 0.06 0.00 0.21 0.00 0.00 66.02 63.89 2kh2 s SER 43 CO 0.01 -0.21 0.33 -0.04 0.41 0.00 0.00 173.24 173.73 2kh2 s MET 44 N 1.89 2.90 -0.02 12.44 -1.94 0.12 -2.91 119.30 131.78 2kh2 s MET 44 Ca 0.22 -1.26 -0.19 0.00 -1.71 0.00 0.00 55.69 52.75 2kh2 s MET 44 Cb -0.15 -4.00 -0.05 0.00 2.01 0.00 0.00 34.83 32.63 2kh2 s MET 44 CO 0.09 -0.92 0.54 -1.12 -0.01 0.00 0.00 175.02 173.61 2kh2 s SER 45 N 2.20 6.90 -0.88 3.03 0.01 -1.16 -1.97 113.70 121.82 2kh2 s SER 45 Ca 0.04 1.07 -0.23 0.00 1.31 0.00 0.00 55.95 58.14 2kh2 s SER 45 Cb -0.22 -2.33 0.07 0.00 0.21 0.00 0.00 66.02 63.74 2kh2 s SER 45 CO 0.07 0.12 1.27 -0.36 0.41 0.00 0.00 173.24 174.75 2kh2 s PHE 46 N -0.18 2.62 0.96 2.43 0.08 -0.99 -1.27 117.98 121.63 2kh2 s PHE 46 Ca 0.29 -0.73 -0.15 0.00 0.12 0.00 0.00 56.93 56.46 2kh2 s PHE 46 Cb -0.17 -4.54 0.18 0.00 -0.57 0.00 0.00 43.02 37.92 2kh2 s PHE 46 CO 0.15 -1.83 1.23 0.14 -0.10 0.00 0.00 175.22 174.81 2kh2 s VAL 47 N 4.53 1.94 -0.42 -0.44 -7.23 -1.23 -4.79 120.40 112.76 2kh2 s VAL 47 Ca 0.37 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.43 2kh2 s VAL 47 Cb -0.05 -2.88 0.07 0.00 0.56 0.00 0.00 36.38 34.08 2kh2 s VAL 47 CO -0.01 0.00 0.27 -1.58 -0.31 0.00 0.00 175.10 173.47 2kh2 s GLN 48 N -5.66 2.72 0.00 4.82 2.00 -1.18 -4.92 119.66 117.44 2kh2 s GLN 48 Ca 0.70 -1.35 0.00 0.00 -2.00 0.00 0.00 55.36 52.71 2kh2 s GLN 48 Cb -0.08 -3.82 0.00 0.00 0.80 0.00 0.00 33.01 29.91 2kh2 s GLN 48 CO 0.53 -0.90 0.00 0.41 -0.50 0.00 0.00 175.29 174.82 2kh2 n GLY 49 N 4.98 3.42 3.25 2.59 0.00 -1.26 -4.99 105.19 113.18 2kh2 n GLY 49 Ca -0.11 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2kh2 n GLY 49 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kh2 n GLU 50 N 0.00 3.04 -2.38 1.61 4.07 -1.26 -4.90 120.64 120.82 2kh2 n GLU 50 Ca 0.00 -3.00 -0.36 0.00 -0.06 0.00 0.00 57.16 53.74 2kh2 n GLU 50 Cb 0.00 -3.42 -0.03 0.00 -0.06 0.00 0.00 31.44 27.93 2kh2 n GLU 50 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2kh2 s GLU 51 N 3.86 3.30 0.73 5.31 2.12 -1.26 -4.30 118.70 128.46 2kh2 s GLU 51 Ca 0.51 -1.22 -0.07 0.00 0.36 0.00 0.00 54.97 54.56 2kh2 s GLU 51 Cb 0.08 -5.33 0.16 0.00 0.26 0.00 0.00 34.13 29.29 2kh2 s GLU 51 CO 0.02 -2.78 0.99 0.43 -0.54 0.00 0.00 175.26 173.38 2kh2 n SER 52 N 10.75 0.64 0.12 -1.70 7.64 -0.45 -4.99 113.62 125.64 2kh2 n SER 52 Ca 0.41 -1.70 0.12 0.00 1.01 0.00 0.00 58.87 58.71 2kh2 n SER 52 Cb 0.48 -0.70 0.26 0.00 -1.01 0.00 0.00 64.21 63.24 2kh2 n SER 52 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2kh2 h ASN 53 N -0.98 0.00 0.00 6.43 -1.24 -2.01 -3.39 115.58 114.39 2kh2 h ASN 53 Ca -0.32 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.64 2kh2 h ASN 53 Cb 1.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.08 2kh2 h ASN 53 CO 0.28 0.02 -0.57 -0.90 -1.29 0.00 0.00 177.43 174.98 2kh2 n ASP 54 N -2.46 2.48 -4.44 1.15 5.75 -1.26 -4.98 116.55 112.80 2kh2 n ASP 54 Ca 0.04 0.00 -0.44 0.00 -0.01 0.00 0.00 54.79 54.38 2kh2 n ASP 54 Cb 0.47 0.11 -0.05 0.00 -1.03 0.00 0.00 41.12 40.61 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 -1.57 3.13 -0.30 0.11 2.20 -1.26 -1.34 119.74 120.72 2kh2 s LYS 55 Ca 0.00 -0.91 -0.09 0.00 -0.36 0.00 0.00 55.97 54.61 2kh2 s LYS 55 Cb 0.00 -4.14 -0.02 0.00 -1.51 0.00 0.00 37.83 32.16 2kh2 s LYS 55 CO 0.00 -1.38 0.14 0.42 -0.36 0.00 0.00 175.35 174.17 2kh2 s ILE 56 N 2.92 4.62 -0.22 5.43 -1.09 0.91 -1.34 121.20 132.44 2kh2 s ILE 56 Ca 0.17 -0.31 -0.29 0.00 -2.23 0.00 0.00 60.65 57.98 2kh2 s ILE 56 Cb -0.19 -3.31 -0.00 0.00 -1.58 0.00 0.00 42.46 37.38 2kh2 s ILE 56 CO 0.11 0.14 1.19 -2.16 -1.23 0.00 0.00 174.94 172.99 2kh2 s PRO 57 N 1.63 4.17 0.08 2.79 0.04 -1.26 -0.25 135.00 142.19 2kh2 s PRO 57 Ca 0.05 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.53 2kh2 s PRO 57 Cb -0.17 -3.75 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 2kh2 s PRO 57 CO 0.06 -0.78 -0.00 0.14 0.04 0.00 0.00 177.00 176.46 2kh2 s VAL 58 N 3.58 0.21 0.09 -0.36 -7.23 0.47 -3.55 120.40 113.62 2kh2 s VAL 58 Ca 0.51 -1.85 -0.02 0.00 -1.81 0.00 0.00 61.98 58.80 2kh2 s VAL 58 Cb -0.18 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 2kh2 s VAL 58 CO 0.14 -0.81 0.28 0.00 -0.31 0.00 0.00 175.10 174.40 2kh2 s ALA 59 N -3.94 3.91 -0.28 1.32 0.00 -0.39 -0.11 121.76 122.26 2kh2 s ALA 59 Ca 0.13 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.41 2kh2 s ALA 59 Cb 0.08 -1.97 0.08 0.00 0.00 0.00 0.00 23.12 21.30 2kh2 s ALA 59 CO -0.06 0.75 -0.02 -0.51 0.00 0.00 0.00 175.76 175.92 2kh2 s LEU 60 N -2.52 3.36 0.13 0.00 1.43 -1.25 -3.01 118.68 116.82 2kh2 s LEU 60 Ca 0.37 -1.56 0.02 0.00 -1.03 0.00 0.00 54.13 51.94 2kh2 s LEU 60 Cb -0.13 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 2kh2 s LEU 60 CO 0.26 -0.28 -0.06 -0.83 0.23 0.00 0.00 176.35 175.67 2kh2 s GLY 61 N 1.21 0.93 0.14 -3.19 0.00 -1.14 -0.76 107.32 104.51 2kh2 s GLY 61 Ca -0.00 -1.44 -0.30 0.00 0.00 0.00 0.00 44.72 42.98 2kh2 s GLY 61 CO -0.09 -1.50 1.11 1.08 0.00 0.00 0.00 173.10 173.70 2kh2 s LEU 62 N -3.10 4.46 0.12 0.66 1.02 -0.23 -0.32 118.68 121.29 2kh2 s LEU 62 Ca 0.16 2.04 -0.32 0.00 0.02 0.00 0.00 54.13 56.02 2kh2 s LEU 62 Cb 0.05 -3.60 -0.12 0.00 0.02 0.00 0.00 46.19 42.55 2kh2 s LEU 62 CO -0.02 -0.27 1.76 1.17 0.02 0.00 0.00 176.35 179.02 2kh2 n LYS 63 N 2.80 2.56 -2.45 1.70 4.81 -0.56 -1.84 118.16 125.18 2kh2 n LYS 63 Ca 0.04 0.93 -0.20 0.00 -0.87 0.00 0.00 58.31 58.21 2kh2 n LYS 63 Cb 0.47 -2.78 -0.00 0.00 0.02 0.00 0.00 35.03 32.73 2kh2 n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2kh2 n GLU 64 N 4.97 -1.97 -4.14 1.64 1.02 -1.26 -4.99 120.64 115.91 2kh2 n GLU 64 Ca 0.18 0.94 -0.09 0.00 -0.02 0.00 0.00 57.16 58.17 2kh2 n GLU 64 Cb 0.34 -5.56 -0.10 0.00 -0.02 0.00 0.00 31.44 26.10 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2kh2 s LYS 65 N -5.07 0.76 -0.04 3.49 1.02 -0.77 -5.03 119.74 114.10 2kh2 s LYS 65 Ca 0.04 -1.30 0.16 0.00 0.02 0.00 0.00 55.97 54.88 2kh2 s LYS 65 Cb -0.02 0.01 0.52 0.00 -0.52 0.00 0.00 37.83 37.83 2kh2 s LYS 65 CO 0.05 -0.08 1.42 0.27 -0.92 0.00 0.00 175.35 176.08 2kh2 n ASN 66 N 0.01 3.36 -4.60 2.83 0.23 -1.26 -4.62 115.26 111.21 2kh2 n ASN 66 Ca -0.12 -2.16 -0.39 0.00 -0.53 0.00 0.00 54.58 51.37 2kh2 n ASN 66 Cb 0.61 -0.44 -0.09 0.00 -2.08 0.00 0.00 39.78 37.79 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 -1.25 4.10 0.09 -4.53 1.43 -1.26 -2.18 118.68 115.08 2kh2 s LEU 67 Ca 0.38 0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.78 2kh2 s LEU 67 Cb 0.22 -2.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2kh2 s LEU 67 CO 0.22 -0.22 -0.22 -0.31 0.23 0.00 0.00 176.35 176.06 2kh2 s TYR 68 N 2.08 1.88 -0.01 0.29 1.51 -0.85 -1.07 117.35 121.18 2kh2 s TYR 68 Ca 0.15 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.50 2kh2 s TYR 68 Cb -0.16 -1.05 -0.05 0.00 -0.11 0.00 0.00 41.96 40.59 2kh2 s TYR 68 CO 0.10 0.20 1.39 -0.51 -1.11 0.00 0.00 175.55 175.63 2kh2 s LEU 69 N -1.76 4.31 -0.04 -1.29 1.43 0.06 -0.75 118.68 120.64 2kh2 s LEU 69 Ca 0.08 2.09 0.06 0.00 -1.03 0.00 0.00 54.13 55.33 2kh2 s LEU 69 Cb -0.10 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 2kh2 s LEU 69 CO 0.04 -0.72 -0.21 -0.55 0.23 0.00 0.00 176.35 175.14 2kh2 s SER 70 N 1.89 2.63 -0.35 2.29 0.15 0.59 -4.38 113.70 116.51 2kh2 s SER 70 Ca 0.63 -0.43 -0.10 0.00 0.70 0.00 0.00 55.95 56.75 2kh2 s SER 70 Cb -0.31 -0.64 0.02 0.00 -1.71 0.00 0.00 66.02 63.38 2kh2 s SER 70 CO 0.26 0.22 0.18 0.00 1.20 0.00 0.00 173.24 175.10 2kh2 s VAL 72 N 1.56 0.44 -0.21 0.00 -7.23 -0.88 -4.74 120.40 109.34 2kh2 s VAL 72 Ca 0.03 -1.96 -0.18 0.00 -1.81 0.00 0.00 61.98 58.05 2kh2 s VAL 72 Cb -0.18 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 2kh2 s VAL 72 CO 0.06 -0.39 0.52 -0.76 -0.31 0.00 0.00 175.10 174.23 2kh2 s LEU 73 N -3.15 4.13 -0.15 1.32 1.43 -1.26 0.57 118.68 121.57 2kh2 s LEU 73 Ca 0.26 0.66 -0.00 0.00 -1.03 0.00 0.00 54.13 54.02 2kh2 s LEU 73 Cb 0.07 -2.71 0.03 0.00 0.03 0.00 0.00 46.19 43.61 2kh2 s LEU 73 CO 0.05 -0.20 -0.06 -0.54 0.23 0.00 0.00 176.35 175.82 2kh2 s LYS 74 N 1.76 1.50 -1.15 1.70 1.02 0.69 -4.79 119.74 120.48 2kh2 s LYS 74 Ca 0.24 -0.42 -0.01 0.00 0.02 0.00 0.00 55.97 55.79 2kh2 s LYS 74 Cb -0.15 -1.86 -0.02 0.00 -0.52 0.00 0.00 37.83 35.28 2kh2 s LYS 74 CO 0.09 -0.36 0.97 -3.47 -0.92 0.00 0.00 175.35 171.66 2kh2 n ASP 75 N 4.89 -3.11 -1.99 2.83 4.64 -1.26 -2.53 116.55 120.02 2kh2 n ASP 75 Ca -0.12 -0.63 -0.19 0.00 -1.38 0.00 0.00 54.79 52.46 2kh2 n ASP 75 Cb 0.49 -5.08 -0.04 0.00 -1.04 0.00 0.00 41.12 35.44 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 -3.12 -5.27 -3.72 1.67 10.43 -1.26 -4.97 116.55 110.31 2kh2 n ASP 76 Ca -0.23 0.24 -0.12 0.00 2.57 0.00 0.00 54.79 57.25 2kh2 n ASP 76 Cb 0.66 -4.54 -0.13 0.00 1.84 0.00 0.00 41.12 38.96 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 2kh2 s LYS 77 N -4.35 0.25 0.07 -1.24 2.47 -1.05 -5.12 119.74 110.77 2kh2 s LYS 77 Ca 0.00 0.60 -0.31 0.00 -1.56 0.00 0.00 55.97 54.70 2kh2 s LYS 77 Cb 0.00 -0.10 -0.10 0.00 -1.46 0.00 0.00 37.83 36.17 2kh2 s LYS 77 CO 0.00 -0.16 1.90 -2.30 0.16 0.00 0.00 175.35 174.95 2kh2 n PRO 78 N 4.26 2.79 -4.35 4.03 -0.02 -1.26 -0.22 135.00 140.22 2kh2 n PRO 78 Ca -0.25 1.02 -0.20 0.00 -2.02 0.00 0.00 63.50 62.06 2kh2 n PRO 78 Cb 0.53 -2.94 -0.13 0.00 -0.02 0.00 0.00 33.50 30.94 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 3.57 1.07 0.16 3.45 2.01 0.19 -4.67 115.64 121.42 2kh2 s THR 79 Ca 0.86 -0.96 -0.17 0.00 0.31 0.00 0.00 61.69 61.73 2kh2 s THR 79 Cb -0.47 -0.97 -0.07 0.00 0.01 0.00 0.00 72.50 70.99 2kh2 s THR 79 CO 0.40 0.01 0.61 -0.22 -0.69 0.00 0.00 174.62 174.73 2kh2 s LEU 80 N -1.08 4.38 0.32 4.42 2.96 -1.26 -2.08 118.68 126.33 2kh2 s LEU 80 Ca 0.01 1.22 -0.15 0.00 -0.22 0.00 0.00 54.13 54.99 2kh2 s LEU 80 Cb -0.08 -3.30 0.03 0.00 0.50 0.00 0.00 46.19 43.34 2kh2 s LEU 80 CO 0.01 0.11 0.67 0.00 -1.32 0.00 0.00 176.35 175.82 2kh2 s GLN 81 N -1.81 1.93 -0.27 1.98 -2.07 -0.44 -4.90 119.66 114.09 2kh2 s GLN 81 Ca 0.38 -1.31 -0.07 0.00 -1.82 0.00 0.00 55.36 52.54 2kh2 s GLN 81 Cb -0.16 0.57 -0.02 0.00 -1.09 0.00 0.00 33.01 32.31 2kh2 s GLN 81 CO 0.20 -0.87 0.07 -0.51 -1.32 0.00 0.00 175.29 172.86 2kh2 s LEU 82 N -3.04 3.57 -0.19 2.60 2.01 -1.26 -0.30 118.68 122.07 2kh2 s LEU 82 Ca 0.17 -0.38 -0.07 0.00 0.01 0.00 0.00 54.13 53.86 2kh2 s LEU 82 Cb -0.04 -1.91 -0.04 0.00 0.01 0.00 0.00 46.19 44.21 2kh2 s LEU 82 CO 0.11 -0.09 0.06 -1.61 1.01 0.00 0.00 176.35 175.83 2kh2 s GLU 83 N 1.58 3.90 -0.50 1.70 2.02 0.07 -4.89 118.70 122.58 2kh2 s GLU 83 Ca 0.05 -0.38 -0.25 0.00 0.02 0.00 0.00 54.97 54.42 2kh2 s GLU 83 Cb -0.16 -3.22 0.03 0.00 0.10 0.00 0.00 34.13 30.88 2kh2 s GLU 83 CO 0.03 0.18 0.92 -1.12 0.02 0.00 0.00 175.26 175.29 2kh2 s SER 84 N 0.61 6.42 0.39 -0.19 0.01 -1.26 -2.02 113.70 117.67 2kh2 s SER 84 Ca 0.03 -0.10 0.08 0.00 1.31 0.00 0.00 55.95 57.27 2kh2 s SER 84 Cb -0.13 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2kh2 s SER 84 CO 0.01 -1.11 0.24 0.68 0.41 0.00 0.00 173.24 173.48 2kh2 s VAL 85 N 3.79 2.68 -0.15 3.43 -7.23 -0.93 -5.05 120.40 116.95 2kh2 s VAL 85 Ca 0.34 -1.56 -0.34 0.00 -1.81 0.00 0.00 61.98 58.60 2kh2 s VAL 85 Cb -0.11 -3.01 -0.12 0.00 0.56 0.00 0.00 36.38 33.71 2kh2 s VAL 85 CO 0.23 -0.06 1.94 -0.67 -0.31 0.00 0.00 175.10 176.23 2kh2 n ASP 86 N -1.32 3.18 0.10 4.85 4.64 -1.26 -4.85 116.55 121.89 2kh2 n ASP 86 Ca -0.00 0.86 0.10 0.00 -1.38 0.00 0.00 54.79 54.37 2kh2 n ASP 86 Cb 0.62 -1.35 0.45 0.00 -1.04 0.00 0.00 41.12 39.80 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 6.91 0.14 -0.01 -0.67 -0.04 -1.26 -2.20 135.00 137.87 2kh2 n PRO 87 Ca 0.26 0.41 0.08 0.00 -0.04 0.00 0.00 63.50 64.21 2kh2 n PRO 87 Cb 0.28 -1.79 -0.12 0.00 -0.04 0.00 0.00 33.50 31.83 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 -2.07 0.85 -0.02 0.54 2.85 -1.26 -4.31 118.16 114.74 2kh2 n LYS 88 Ca 0.02 -0.11 0.12 0.00 -1.05 0.00 0.00 58.31 57.29 2kh2 n LYS 88 Cb 0.20 -1.36 0.11 0.00 -0.65 0.00 0.00 35.03 33.33 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 -1.87 3.06 -4.11 -5.58 3.02 -1.07 -4.93 115.26 103.77 2kh2 n ASN 89 Ca -0.01 -2.00 -0.17 0.00 -0.03 0.00 0.00 54.58 52.37 2kh2 n ASN 89 Cb 0.38 -0.03 -0.12 0.00 -0.61 0.00 0.00 39.78 39.40 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 -1.94 0.98 0.92 3.10 1.51 -0.94 -4.48 117.35 116.50 2kh2 s TYR 90 Ca 0.29 -0.41 -0.11 0.00 -1.01 0.00 0.00 57.07 55.83 2kh2 s TYR 90 Cb 0.20 -0.57 0.20 0.00 -0.11 0.00 0.00 41.96 41.68 2kh2 s TYR 90 CO 0.30 0.00 1.25 -0.35 -1.11 0.00 0.00 175.55 175.64 2kh2 n PRO 91 N 1.67 -0.94 -3.97 -1.71 -0.04 -1.26 -4.81 135.00 123.95 2kh2 n PRO 91 Ca -0.20 -2.32 -0.09 0.00 -0.04 0.00 0.00 63.50 60.85 2kh2 n PRO 91 Cb 0.55 -1.16 -0.08 0.00 -0.04 0.00 0.00 33.50 32.77 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 -5.71 0.97 0.10 0.54 -2.85 -1.26 -5.06 119.74 106.47 2kh2 s LYS 92 Ca 0.74 -1.15 -0.20 0.00 -1.00 0.00 0.00 55.97 54.36 2kh2 s LYS 92 Cb -0.03 0.33 -0.09 0.00 -2.06 0.00 0.00 37.83 35.99 2kh2 s LYS 92 CO 0.51 -0.32 1.65 -0.22 0.10 0.00 0.00 175.35 177.07 2kh2 h LYS 93 N 2.71 0.29 -3.78 1.78 3.11 -1.97 -3.36 116.57 115.35 2kh2 h LYS 93 Ca -0.33 -0.05 -0.75 0.00 -2.81 0.00 0.00 60.65 56.71 2kh2 h LYS 93 Cb 1.21 -0.05 -0.30 0.00 -1.00 0.00 0.00 32.23 32.09 2kh2 h LYS 93 CO 0.54 0.33 -0.13 0.21 -2.81 0.00 0.00 179.45 177.59 2kh2 s LYS 94 N -5.63 3.09 0.64 1.90 2.47 -1.26 -3.10 119.74 117.85 2kh2 s LYS 94 Ca -0.14 -2.41 -0.05 0.00 -1.56 0.00 0.00 55.97 51.82 2kh2 s LYS 94 Cb 0.07 -4.11 0.04 0.00 -1.46 0.00 0.00 37.83 32.37 2kh2 s LYS 94 CO 0.71 -1.24 0.93 -1.64 0.16 0.00 0.00 175.35 174.27 2kh2 s MET 95 N 0.22 2.46 0.47 4.03 -1.94 -1.26 -5.04 119.30 118.25 2kh2 s MET 95 Ca 0.16 -0.30 -0.24 0.00 -1.71 0.00 0.00 55.69 53.60 2kh2 s MET 95 Cb -0.16 -2.27 -0.07 0.00 2.01 0.00 0.00 34.83 34.34 2kh2 s MET 95 CO -0.06 -0.98 1.30 -1.21 -0.01 0.00 0.00 175.02 174.06 2kh2 s GLU 96 N -5.07 3.61 0.66 2.03 8.01 -1.26 -4.88 118.70 121.79 2kh2 s GLU 96 Ca 0.58 2.11 0.41 0.00 0.01 0.00 0.00 54.97 58.08 2kh2 s GLU 96 Cb -0.11 -2.49 2.27 0.00 -4.31 0.00 0.00 34.13 29.50 2kh2 s GLU 96 CO 0.43 -0.78 2.32 -0.22 0.01 0.00 0.00 175.26 177.02 2kh2 h LYS 97 N 2.07 0.00 -0.00 1.61 3.64 -1.96 0.15 116.57 122.08 2kh2 h LYS 97 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2kh2 h LYS 97 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2kh2 h LYS 97 CO 0.60 0.00 -0.07 2.89 -2.27 0.00 0.00 179.45 180.60 2kh2 n ARG 98 N -3.20 0.05 0.00 1.90 1.85 -1.26 -2.79 116.66 113.22 2kh2 n ARG 98 Ca -0.03 -0.01 0.06 0.00 -1.00 0.00 0.00 57.85 56.88 2kh2 n ARG 98 Cb 0.10 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.06 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 -1.47 0.00 -3.61 2.89 3.72 0.49 -0.94 117.46 118.54 2kh2 n PHE 99 Ca 0.08 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.10 2kh2 n PHE 99 Cb 0.33 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.77 2kh2 n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2kh2 s VAL 100 N -1.11 5.32 0.04 -4.37 1.01 -1.04 -3.75 120.40 116.51 2kh2 s VAL 100 Ca 0.14 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.39 2kh2 s VAL 100 Cb 0.10 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2kh2 s VAL 100 CO 0.17 0.29 -0.06 -0.36 0.00 0.00 0.00 175.10 175.15 2kh2 s PHE 101 N 1.39 2.88 -0.63 5.22 0.40 0.85 -2.39 117.98 125.70 2kh2 s PHE 101 Ca 0.08 -0.06 -0.14 0.00 -0.60 0.00 0.00 56.93 56.21 2kh2 s PHE 101 Cb -0.15 -1.56 0.16 0.00 0.51 0.00 0.00 43.02 41.98 2kh2 s PHE 101 CO 0.07 0.40 0.57 -0.80 0.70 0.00 0.00 175.22 176.17 2kh2 s ASN 102 N -1.73 6.29 -0.64 1.36 0.02 0.26 -0.39 114.94 120.11 2kh2 s ASN 102 Ca 0.19 -2.16 -0.28 0.00 -1.02 0.00 0.00 52.86 49.60 2kh2 s ASN 102 Cb -0.11 -2.17 0.02 0.00 0.02 0.00 0.00 41.25 39.01 2kh2 s ASN 102 CO 0.11 -0.72 1.30 -0.75 0.02 0.00 0.00 177.10 177.05 2kh2 s LYS 103 N 1.01 3.31 0.18 -0.60 2.20 0.65 -0.81 119.74 125.68 2kh2 s LYS 103 Ca 0.09 0.11 -0.14 0.00 -0.36 0.00 0.00 55.97 55.67 2kh2 s LYS 103 Cb -0.22 -4.12 -0.07 0.00 -1.51 0.00 0.00 37.83 31.91 2kh2 s LYS 103 CO -0.02 -1.96 0.58 0.42 -0.36 0.00 0.00 175.35 174.01 2kh2 s ILE 104 N 5.64 4.83 -0.61 5.43 1.01 0.12 -0.06 121.20 137.57 2kh2 s ILE 104 Ca 0.42 0.81 0.05 0.00 0.00 0.00 0.00 60.65 61.93 2kh2 s ILE 104 Cb -0.08 -3.71 0.17 0.00 0.01 0.00 0.00 42.46 38.84 2kh2 s ILE 104 CO 0.21 0.15 0.44 -1.61 0.00 0.00 0.00 174.94 174.13 2kh2 s GLU 105 N -2.20 1.96 0.02 2.79 2.02 -0.45 -0.36 118.70 122.49 2kh2 s GLU 105 Ca 0.41 -2.94 -0.16 0.00 0.02 0.00 0.00 54.97 52.31 2kh2 s GLU 105 Cb -0.14 -2.79 -0.09 0.00 0.10 0.00 0.00 34.13 31.22 2kh2 s GLU 105 CO 0.20 -1.31 1.13 -0.84 0.02 0.00 0.00 175.26 174.46 2kh2 h ILE 106 N 4.50 0.00 0.00 -1.63 3.07 -1.87 -3.47 117.51 118.11 2kh2 h ILE 106 Ca 0.18 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 66.54 2kh2 h ILE 106 Cb 0.81 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.36 2kh2 h ILE 106 CO 0.61 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.25 2kh2 n ASN 107 N -3.64 0.00 -0.63 2.16 0.23 -1.26 -4.96 115.26 107.15 2kh2 n ASN 107 Ca -0.07 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.11 2kh2 n ASN 107 Cb 0.22 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.24 2kh2 n ASN 107 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2kh2 n ASN 108 N 0.00 2.04 -4.30 0.53 2.85 -1.26 -4.88 115.26 110.24 2kh2 n ASN 108 Ca 0.00 -1.63 -0.25 0.00 -0.11 0.00 0.00 54.58 52.60 2kh2 n ASN 108 Cb 0.00 0.05 -0.13 0.00 1.24 0.00 0.00 39.78 40.94 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2kh2 s LYS 109 N -2.08 1.17 0.07 1.20 -0.14 -1.26 -4.94 119.74 113.76 2kh2 s LYS 109 Ca 0.32 -1.18 0.08 0.00 -1.36 0.00 0.00 55.97 53.82 2kh2 s LYS 109 Cb 0.20 -1.47 -0.04 0.00 -1.68 0.00 0.00 37.83 34.85 2kh2 s LYS 109 CO 0.36 0.34 -0.17 -0.48 -0.76 0.00 0.00 175.35 174.63 2kh2 s LEU 110 N -1.91 2.67 0.23 3.17 2.34 -0.14 -3.21 118.68 121.83 2kh2 s LEU 110 Ca 0.07 -0.46 0.11 0.00 0.06 0.00 0.00 54.13 53.91 2kh2 s LEU 110 Cb -0.10 -1.55 -0.05 0.00 -0.56 0.00 0.00 46.19 43.93 2kh2 s LEU 110 CO 0.04 0.23 -0.20 -1.61 -1.06 0.00 0.00 176.35 173.75 2kh2 s GLU 111 N -1.72 1.67 -0.30 1.48 2.02 0.52 -0.07 118.70 122.31 2kh2 s GLU 111 Ca 0.16 -1.60 0.03 0.00 0.02 0.00 0.00 54.97 53.58 2kh2 s GLU 111 Cb -0.11 -1.86 0.08 0.00 0.10 0.00 0.00 34.13 32.35 2kh2 s GLU 111 CO 0.07 0.37 -0.01 -0.06 0.02 0.00 0.00 175.26 175.66 2kh2 s PHE 112 N -2.05 3.34 0.09 1.61 0.08 -1.26 0.16 117.98 119.95 2kh2 s PHE 112 Ca 0.25 -2.58 -0.09 0.00 0.12 0.00 0.00 56.93 54.63 2kh2 s PHE 112 Cb -0.07 -2.39 -0.06 0.00 -0.57 0.00 0.00 43.02 39.94 2kh2 s PHE 112 CO 0.13 -0.91 0.39 -2.00 -0.10 0.00 0.00 175.22 172.73 2kh2 s GLU 113 N 1.06 3.73 -0.12 0.44 2.12 0.01 -1.77 118.70 124.17 2kh2 s GLU 113 Ca 0.03 0.12 -0.26 0.00 0.36 0.00 0.00 54.97 55.22 2kh2 s GLU 113 Cb -0.19 -2.97 -0.02 0.00 0.26 0.00 0.00 34.13 31.20 2kh2 s GLU 113 CO -0.08 0.55 0.84 0.45 -0.54 0.00 0.00 175.26 176.48 2kh2 s SER 114 N -1.87 7.05 0.16 -1.70 0.15 0.53 0.93 113.70 118.95 2kh2 s SER 114 Ca 0.34 1.28 -0.10 0.00 0.70 0.00 0.00 55.95 58.16 2kh2 s SER 114 Cb -0.14 -2.47 0.01 0.00 -1.71 0.00 0.00 66.02 61.71 2kh2 s SER 114 CO 0.19 -0.33 1.56 0.00 1.20 0.00 0.00 173.24 175.85 2kh2 h ALA 115 N 7.12 0.68 -0.70 5.45 0.00 -1.67 -3.04 119.26 127.11 2kh2 h ALA 115 Ca -0.33 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.13 2kh2 h ALA 115 Cb 1.16 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2kh2 h ALA 115 CO 0.81 0.65 0.16 0.37 0.00 0.00 0.00 179.25 181.24 2kh2 h GLN 116 N 0.85 1.13 -3.86 0.00 5.75 -1.73 -3.38 115.11 113.86 2kh2 h GLN 116 Ca 0.12 -0.28 -0.62 0.00 -0.15 0.00 0.00 58.65 57.72 2kh2 h GLN 116 Cb 0.75 -0.15 -0.40 0.00 1.07 0.00 0.00 27.48 28.75 2kh2 h GLN 116 CO 0.06 1.00 -0.72 -0.06 -2.65 0.00 0.00 178.83 176.46 2kh2 s PHE 117 N -5.30 2.74 0.59 3.99 0.08 -1.15 -5.05 117.98 113.88 2kh2 s PHE 117 Ca -0.12 -2.54 -0.20 0.00 0.12 0.00 0.00 56.93 54.19 2kh2 s PHE 117 Cb 0.15 -2.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.20 2kh2 s PHE 117 CO 0.85 -0.87 1.29 -2.14 -0.10 0.00 0.00 175.22 174.24 2kh2 s PRO 118 N 0.85 2.89 0.00 0.24 0.02 -1.19 -2.56 135.00 135.25 2kh2 s PRO 118 Ca 0.13 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.19 2kh2 s PRO 118 Cb -0.20 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.30 2kh2 s PRO 118 CO -0.11 -1.33 0.00 -1.71 -0.33 0.00 0.00 177.00 173.53 2kh2 n ASN 119 N -1.49 0.00 -4.42 2.53 5.15 -1.26 -4.98 115.26 110.78 2kh2 n ASN 119 Ca 0.13 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.75 2kh2 n ASN 119 Cb 0.48 -0.37 -0.13 0.00 -0.53 0.00 0.00 39.78 39.23 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 2kh2 s TRP 120 N -3.37 3.07 0.27 1.20 0.52 -1.06 -4.37 118.94 115.20 2kh2 s TRP 120 Ca 0.00 -0.52 0.11 0.00 0.02 0.00 0.00 56.10 55.71 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 -0.40 -0.18 0.71 0.02 0.00 0.00 176.95 177.10 2kh2 s TYR 121 N 1.59 2.20 -0.15 -1.98 1.51 0.63 -0.34 117.35 120.82 2kh2 s TYR 121 Ca 0.06 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.44 2kh2 s TYR 121 Cb -0.15 -0.99 -0.04 0.00 -0.11 0.00 0.00 41.96 40.67 2kh2 s TYR 121 CO 0.03 0.65 1.68 0.42 -1.11 0.00 0.00 175.55 177.21 2kh2 s ILE 122 N -2.60 3.59 0.06 2.71 1.01 -0.73 -0.66 121.20 124.58 2kh2 s ILE 122 Ca 0.29 0.68 0.06 0.00 0.00 0.00 0.00 60.65 61.68 2kh2 s ILE 122 Cb -0.04 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2kh2 s ILE 122 CO 0.14 -0.18 -0.13 -0.44 0.00 0.00 0.00 174.94 174.33 2kh2 s SER 123 N 4.16 4.16 -0.01 3.58 0.01 0.24 -4.53 113.70 121.31 2kh2 s SER 123 Ca 0.75 -0.36 0.03 0.00 1.31 0.00 0.00 55.95 57.67 2kh2 s SER 123 Cb -0.29 -0.78 -0.00 0.00 0.21 0.00 0.00 66.02 65.16 2kh2 s SER 123 CO 0.30 0.23 -0.08 0.42 0.41 0.00 0.00 173.24 174.52 2kh2 s THR 124 N -1.04 0.67 0.60 1.44 -4.23 -0.78 -2.57 115.64 109.74 2kh2 s THR 124 Ca 0.17 -0.35 -0.10 0.00 -1.18 0.00 0.00 61.69 60.23 2kh2 s THR 124 Cb -0.11 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 73.12 2kh2 s THR 124 CO 0.08 0.20 1.00 -0.44 -0.54 0.00 0.00 174.62 174.92 2kh2 s SER 125 N -0.10 6.24 0.37 3.99 0.01 -1.26 0.65 113.70 123.60 2kh2 s SER 125 Ca 0.02 1.36 0.17 0.00 1.31 0.00 0.00 55.95 58.81 2kh2 s SER 125 Cb -0.04 -2.44 0.73 0.00 0.21 0.00 0.00 66.02 64.48 2kh2 s SER 125 CO -0.00 -0.83 1.78 1.56 0.41 0.00 0.00 173.24 176.16 2kh2 h GLN 126 N -0.25 0.00 -7.04 12.44 1.08 -1.95 -3.45 115.11 115.93 2kh2 h GLN 126 Ca -0.44 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.20 2kh2 h GLN 126 Cb 1.19 0.00 0.17 0.00 -0.05 0.00 0.00 27.48 28.79 2kh2 h GLN 126 CO 0.62 0.38 0.33 0.00 -0.95 0.00 0.00 178.83 179.21 2kh2 n ALA 127 N -2.37 0.50 -1.99 3.87 0.00 -1.26 -4.98 120.51 114.28 2kh2 n ALA 127 Ca -0.01 -0.09 -0.37 0.00 0.00 0.00 0.00 53.44 52.97 2kh2 n ALA 127 Cb 0.46 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.62 2kh2 n ALA 127 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kh2 s GLU 128 N -3.39 4.38 -1.10 0.00 2.56 -1.26 -4.03 118.70 115.86 2kh2 s GLU 128 Ca 0.78 1.03 -0.03 0.00 0.00 0.00 0.00 54.97 56.76 2kh2 s GLU 128 Cb -0.36 -2.89 0.00 0.00 2.00 0.00 0.00 34.13 32.88 2kh2 s GLU 128 CO 0.45 0.38 0.40 -1.71 -0.56 0.00 0.00 175.26 174.21 2kh2 n ASN 129 N 0.75 -4.74 -4.91 -1.70 5.15 -1.21 -5.01 115.26 103.59 2kh2 n ASN 129 Ca -0.01 -0.19 -0.32 0.00 -0.60 0.00 0.00 54.58 53.46 2kh2 n ASN 129 Cb 0.51 -3.63 -0.04 0.00 -0.53 0.00 0.00 39.78 36.09 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 -5.30 3.53 0.94 1.20 -1.94 -1.22 -4.88 119.30 111.64 2kh2 s MET 130 Ca 0.20 -0.25 -0.15 0.00 -1.71 0.00 0.00 55.69 53.78 2kh2 s MET 130 Cb -0.09 -2.97 0.17 0.00 2.01 0.00 0.00 34.83 33.95 2kh2 s MET 130 CO 0.24 0.56 1.23 -1.25 -0.01 0.00 0.00 175.02 175.79 2kh2 s PRO 131 N -2.46 0.84 -0.22 2.03 0.04 -1.26 -0.05 135.00 133.91 2kh2 s PRO 131 Ca 0.36 -0.10 -0.09 0.00 0.04 0.00 0.00 61.00 61.21 2kh2 s PRO 131 Cb -0.13 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2kh2 s PRO 131 CO 0.25 -2.33 0.11 0.08 0.04 0.00 0.00 177.00 175.15 2kh2 s VAL 132 N -3.59 4.96 0.36 -0.36 1.01 -0.78 -4.59 120.40 117.41 2kh2 s VAL 132 Ca 0.69 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.77 2kh2 s VAL 132 Cb -0.08 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2kh2 s VAL 132 CO 0.52 0.39 0.24 0.72 0.00 0.00 0.00 175.10 176.97 2kh2 s PHE 133 N 0.90 1.76 -0.21 5.22 -0.12 -1.06 -4.84 117.98 119.64 2kh2 s PHE 133 Ca 0.06 -1.57 -0.09 0.00 -0.05 0.00 0.00 56.93 55.27 2kh2 s PHE 133 Cb -0.13 -0.84 -0.05 0.00 -0.63 0.00 0.00 43.02 41.37 2kh2 s PHE 133 CO 0.03 -0.71 0.12 -1.17 -0.05 0.00 0.00 175.22 173.44 2kh2 s LEU 134 N -3.45 4.04 0.14 -1.99 2.96 -1.26 -0.59 118.68 118.53 2kh2 s LEU 134 Ca 0.35 0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.41 2kh2 s LEU 134 Cb 0.02 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 2kh2 s LEU 134 CO 0.24 0.13 -0.03 -0.83 -1.32 0.00 0.00 176.35 174.54 2kh2 s GLY 135 N 0.67 1.04 -0.05 7.98 0.00 0.17 -4.85 107.32 112.27 2kh2 s GLY 135 Ca 0.06 -1.49 0.08 0.00 0.00 0.00 0.00 44.72 43.37 2kh2 s GLY 135 CO 0.01 -1.50 1.10 0.61 0.00 0.00 0.00 173.10 173.32 2kh2 n GLY 136 N -0.16 3.59 2.60 0.20 0.00 -1.26 -0.27 105.19 109.89 2kh2 n GLY 136 Ca -0.09 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.65 5.38 -1.91 2.61 -2.24 -1.26 -4.96 114.28 111.25 2kh2 n THR 137 Ca 0.08 -5.01 -0.41 0.00 -2.27 0.00 0.00 64.05 56.44 2kh2 n THR 137 Cb 0.43 -1.72 -0.03 0.00 -2.10 0.00 0.00 70.33 66.92 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 -2.97 2.94 0.00 -0.78 2.20 -1.26 -1.21 119.74 118.67 2kh2 s LYS 138 Ca 0.47 1.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.35 2kh2 s LYS 138 Cb 0.22 -4.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.22 2kh2 s LYS 138 CO -0.15 -2.33 0.00 0.41 -0.36 0.00 0.00 175.35 172.92 2kh2 n GLY 139 N 5.62 1.04 0.00 5.54 0.00 -1.26 -5.08 105.19 111.05 2kh2 n GLY 139 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.85 0.86 0.08 -0.02 0.00 -0.35 -5.01 105.19 98.90 2kh2 n GLY 140 Ca 0.00 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 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 0.09 -7.26 1.61 7.50 -1.98 -3.46 115.11 111.60 2kh2 h GLN 141 Ca 0.00 -0.11 -0.51 0.00 0.50 0.00 0.00 58.65 58.53 2kh2 h GLN 141 Cb 0.00 0.03 0.13 0.00 0.05 0.00 0.00 27.48 27.69 2kh2 h GLN 141 CO 0.00 0.92 0.33 -0.51 -1.50 0.00 0.00 178.83 178.07 2kh2 s ASP 142 N -6.24 4.51 -0.08 1.46 1.01 -1.26 -4.59 116.67 111.48 2kh2 s ASP 142 Ca -0.17 1.95 -0.20 0.00 0.71 0.00 0.00 52.55 54.84 2kh2 s ASP 142 Cb -0.01 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 2kh2 s ASP 142 CO 0.72 -2.03 0.58 -0.63 0.21 0.00 0.00 175.17 174.02 2kh2 s ILE 143 N -2.63 5.08 0.00 0.77 1.01 0.21 -4.56 121.20 121.08 2kh2 s ILE 143 Ca 0.64 1.19 0.00 0.00 0.00 0.00 0.00 60.65 62.48 2kh2 s ILE 143 Cb -0.20 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.36 2kh2 s ILE 143 CO 0.51 0.32 0.37 0.35 0.00 0.00 0.00 174.94 176.49 2kh2 n THR 144 N 3.51 0.00 -4.26 2.92 -2.24 -1.26 -1.87 114.28 111.08 2kh2 n THR 144 Ca -0.05 -0.47 -0.35 0.00 -2.27 0.00 0.00 64.05 60.91 2kh2 n THR 144 Cb 0.51 1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.19 5.35 0.32 3.42 -4.77 -1.26 -4.39 116.67 115.14 2kh2 s ASP 145 Ca 0.00 0.12 0.03 0.00 -3.30 0.00 0.00 52.55 49.40 2kh2 s ASP 145 Cb 0.00 -1.67 -0.04 0.00 -1.09 0.00 0.00 42.92 40.12 2kh2 s ASP 145 CO 0.00 0.31 0.11 -0.36 0.70 0.00 0.00 175.17 175.93 2kh2 s PHE 146 N -0.46 1.70 0.04 2.11 0.08 0.91 -3.86 117.98 118.50 2kh2 s PHE 146 Ca 0.09 -1.21 0.08 0.00 0.12 0.00 0.00 56.93 56.01 2kh2 s PHE 146 Cb -0.12 -1.03 -0.03 0.00 -0.57 0.00 0.00 43.02 41.28 2kh2 s PHE 146 CO 0.02 -0.31 -0.23 0.95 -0.10 0.00 0.00 175.22 175.56 2kh2 s THR 147 N -3.50 1.86 -0.27 0.64 -4.23 0.08 -0.97 115.64 109.25 2kh2 s THR 147 Ca 0.34 -1.27 -0.07 0.00 -1.18 0.00 0.00 61.69 59.51 2kh2 s THR 147 Cb 0.06 -1.60 -0.01 0.00 1.34 0.00 0.00 72.50 72.29 2kh2 s THR 147 CO 0.15 0.28 0.06 -0.32 -0.54 0.00 0.00 174.62 174.25 2kh2 s MET 148 N -1.19 3.37 -0.23 3.99 1.75 -1.26 -3.04 119.30 122.69 2kh2 s MET 148 Ca 0.09 -0.67 0.02 0.00 -1.25 0.00 0.00 55.69 53.89 2kh2 s MET 148 Cb -0.09 -3.31 0.04 0.00 2.84 0.00 0.00 34.83 34.31 2kh2 s MET 148 CO 0.02 -0.31 -0.14 -0.65 -0.65 0.00 0.00 175.02 173.29 2kh2 s GLN 149 N 1.55 2.49 0.18 4.11 1.11 -0.66 -4.96 119.66 123.48 2kh2 s GLN 149 Ca 0.05 -1.13 -0.30 0.00 0.01 0.00 0.00 55.36 53.99 2kh2 s GLN 149 Cb -0.16 -2.74 -0.08 0.00 -1.01 0.00 0.00 33.01 29.02 2kh2 s GLN 149 CO 0.02 -0.43 1.16 -0.06 0.01 0.00 0.00 175.29 175.99 2kh2 s PHE 150 N 1.19 3.49 0.45 0.91 0.40 -1.26 -0.29 117.98 122.87 2kh2 s PHE 150 Ca -0.03 1.49 0.07 0.00 -0.60 0.00 0.00 56.93 57.86 2kh2 s PHE 150 Cb -0.17 -3.37 -0.01 0.00 0.51 0.00 0.00 43.02 39.98 2kh2 s PHE 150 CO -0.08 -0.96 0.31 0.14 0.70 0.00 0.00 175.22 175.33 2kh2 s VAL 151 N -0.12 2.22 -1.12 -0.44 -7.23 -1.18 -4.93 120.40 107.59 2kh2 s VAL 151 Ca 0.51 -1.52 -0.08 0.00 -1.81 0.00 0.00 61.98 59.08 2kh2 s VAL 151 Cb -0.31 -2.74 -0.10 0.00 0.56 0.00 0.00 36.38 33.79 2kh2 s VAL 151 CO 0.36 0.00 3.05 -1.54 -0.31 0.00 0.00 175.10 176.66 2kh2 n SER 152 N -1.50 7.69 0.00 4.85 3.41 -1.26 -4.88 113.62 121.94 2kh2 n SER 152 Ca 0.00 -2.66 0.00 0.00 -0.26 0.00 0.00 58.87 55.95 2kh2 n SER 152 Cb 0.64 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68