#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 0.53 -5.10 0.00 0.13 -2.05 -3.44 132.00 122.07 2kh2 h PRO 2 Ca 0.00 -0.21 -0.43 0.00 -0.87 0.00 0.00 66.00 64.48 2kh2 h PRO 2 Cb 0.00 -0.03 -0.27 0.00 0.13 0.00 0.00 31.00 30.83 2kh2 h PRO 2 CO 0.00 0.75 -0.79 0.54 -0.23 0.00 0.00 178.00 178.27 2kh2 s VAL 3 N -4.72 0.97 0.20 1.56 0.11 -1.26 -5.07 120.40 112.18 2kh2 s VAL 3 Ca -0.13 -0.70 -0.16 0.00 -2.93 0.00 0.00 61.98 58.06 2kh2 s VAL 3 Cb 0.08 -0.84 -0.08 0.00 -1.53 0.00 0.00 36.38 34.01 2kh2 s VAL 3 CO 0.77 0.14 0.63 -0.13 -3.33 0.00 0.00 175.10 173.19 2kh2 s ARG 4 N -0.63 4.07 -0.14 1.54 0.52 -1.26 -4.96 118.95 118.07 2kh2 s ARG 4 Ca 0.03 0.63 -0.11 0.00 -0.52 0.00 0.00 55.73 55.76 2kh2 s ARG 4 Cb -0.06 -2.84 0.04 0.00 0.52 0.00 0.00 34.95 32.61 2kh2 s ARG 4 CO 0.00 0.40 0.37 0.45 0.02 0.00 0.00 175.30 176.54 2kh2 s SER 5 N -1.80 -0.41 0.37 0.23 0.15 -1.26 -1.46 113.70 109.52 2kh2 s SER 5 Ca 0.42 0.76 0.08 0.00 0.70 0.00 0.00 55.95 57.91 2kh2 s SER 5 Cb -0.15 0.73 -0.07 0.00 -1.71 0.00 0.00 66.02 64.82 2kh2 s SER 5 CO 0.20 -0.15 -0.04 -1.48 1.20 0.00 0.00 173.24 172.97 2kh2 s LEU 6 N 0.60 2.74 -0.10 3.45 2.34 -0.53 -4.92 118.68 122.26 2kh2 s LEU 6 Ca -0.03 -1.29 0.04 0.00 0.06 0.00 0.00 54.13 52.91 2kh2 s LEU 6 Cb -0.05 -0.88 -0.00 0.00 -0.56 0.00 0.00 46.19 44.70 2kh2 s LEU 6 CO -0.04 -0.35 -0.22 0.20 -1.06 0.00 0.00 176.35 174.88 2kh2 s ASN 7 N -3.63 3.22 0.18 1.48 0.01 -1.26 -0.50 114.94 114.44 2kh2 s ASN 7 Ca 0.34 -0.52 -0.18 0.00 -0.71 0.00 0.00 52.86 51.79 2kh2 s ASN 7 Cb 0.06 -1.41 0.03 0.00 0.41 0.00 0.00 41.25 40.35 2kh2 s ASN 7 CO 0.17 0.17 0.50 0.00 -1.51 0.00 0.00 177.10 176.42 2kh2 s THR 9 N -3.85 4.27 -0.12 0.00 -4.23 -0.83 -1.11 115.64 109.78 2kh2 s THR 9 Ca 0.07 -1.02 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 2kh2 s THR 9 Cb -0.00 -3.11 -0.00 0.00 1.34 0.00 0.00 72.50 70.72 2kh2 s THR 9 CO -0.06 0.01 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.08 2kh2 s LEU 10 N -2.69 2.31 0.02 4.79 1.43 -1.26 -1.75 118.68 121.52 2kh2 s LEU 10 Ca 0.29 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 2kh2 s LEU 10 Cb -0.11 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 2kh2 s LEU 10 CO 0.21 0.15 -0.07 -0.13 0.23 0.00 0.00 176.35 176.74 2kh2 s ARG 11 N 0.42 0.54 0.91 1.70 0.52 -0.54 -3.65 118.95 118.85 2kh2 s ARG 11 Ca -0.15 -0.51 -0.13 0.00 -0.52 0.00 0.00 55.73 54.43 2kh2 s ARG 11 Cb -0.17 -0.42 0.18 0.00 0.52 0.00 0.00 34.95 35.06 2kh2 s ARG 11 CO 0.06 0.10 1.25 0.16 0.02 0.00 0.00 175.30 176.90 2kh2 s ASP 12 N -0.89 3.38 0.00 0.23 1.47 -0.61 0.62 116.67 120.87 2kh2 s ASP 12 Ca -0.03 0.14 0.17 0.00 1.18 0.00 0.00 52.55 54.01 2kh2 s ASP 12 Cb -0.06 -0.25 0.98 0.00 -0.34 0.00 0.00 42.92 43.25 2kh2 s ASP 12 CO 0.00 -2.55 1.48 -1.20 0.68 0.00 0.00 175.17 173.58 2kh2 n SER 13 N -3.57 0.00 -1.18 2.11 7.64 -1.26 -2.06 113.62 115.30 2kh2 n SER 13 Ca 0.15 -0.32 0.09 0.00 1.01 0.00 0.00 58.87 59.80 2kh2 n SER 13 Cb 0.60 -0.11 0.28 0.00 -1.01 0.00 0.00 64.21 63.96 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 -1.11 3.13 -1.18 1.43 1.13 -1.26 -4.93 117.38 114.59 2kh2 n GLN 14 Ca 0.11 -2.58 -0.06 0.00 -1.94 0.00 0.00 57.00 52.53 2kh2 n GLN 14 Cb 0.09 -1.62 -0.03 0.00 0.11 0.00 0.00 30.24 28.80 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 0.93 -0.76 -3.17 -1.09 1.13 -0.88 -4.94 117.38 108.61 2kh2 n GLN 15 Ca 0.21 0.63 -0.33 0.00 -1.94 0.00 0.00 57.00 55.57 2kh2 n GLN 15 Cb 0.68 -4.47 -0.06 0.00 0.11 0.00 0.00 30.24 26.50 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 -2.17 4.02 0.22 -1.09 1.02 -1.26 -3.90 119.74 116.59 2kh2 s LYS 16 Ca 0.00 0.66 0.10 0.00 0.02 0.00 0.00 55.97 56.75 2kh2 s LYS 16 Cb 0.00 -2.55 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 2kh2 s LYS 16 CO 0.00 0.23 -0.19 -1.12 -0.92 0.00 0.00 175.35 173.34 2kh2 s SER 17 N -2.15 3.14 -0.15 2.83 0.01 0.11 -1.57 113.70 115.92 2kh2 s SER 17 Ca 0.51 -0.96 -0.20 0.00 1.31 0.00 0.00 55.95 56.61 2kh2 s SER 17 Cb -0.12 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.86 2kh2 s SER 17 CO 0.18 -0.00 0.59 -0.76 0.41 0.00 0.00 173.24 173.66 2kh2 s LEU 18 N -3.11 4.21 0.15 2.44 1.43 -1.24 -1.22 118.68 121.35 2kh2 s LEU 18 Ca 0.23 0.87 0.09 0.00 -1.03 0.00 0.00 54.13 54.29 2kh2 s LEU 18 Cb -0.05 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 2kh2 s LEU 18 CO 0.10 -0.16 -0.20 0.68 0.23 0.00 0.00 176.35 177.01 2kh2 s VAL 19 N 1.32 1.88 -0.53 -1.59 -7.23 0.43 -2.78 120.40 111.90 2kh2 s VAL 19 Ca 0.29 -1.85 -0.28 0.00 -1.81 0.00 0.00 61.98 58.33 2kh2 s VAL 19 Cb -0.16 -1.82 0.03 0.00 0.56 0.00 0.00 36.38 34.99 2kh2 s VAL 19 CO 0.12 -0.23 1.15 -0.04 -0.31 0.00 0.00 175.10 175.79 2kh2 s MET 20 N -2.58 3.60 0.00 4.82 -1.94 -1.26 -1.21 119.30 120.73 2kh2 s MET 20 Ca 0.14 0.37 0.00 0.00 -1.71 0.00 0.00 55.69 54.49 2kh2 s MET 20 Cb -0.07 -3.96 0.00 0.00 2.01 0.00 0.00 34.83 32.81 2kh2 s MET 20 CO 0.06 -1.52 0.05 0.45 -0.01 0.00 0.00 175.02 174.06 2kh2 n SER 21 N 8.07 0.00 -2.71 3.03 2.88 0.45 -4.97 113.62 120.37 2kh2 n SER 21 Ca 0.10 0.12 -0.06 0.00 -1.33 0.00 0.00 58.87 57.71 2kh2 n SER 21 Cb 0.49 -0.08 0.01 0.00 -0.75 0.00 0.00 64.21 63.88 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 2.46 0.29 0.46 0.00 -1.15 -4.93 105.19 104.46 2kh2 n GLY 22 Ca 0.00 -2.18 0.08 0.00 0.00 0.00 0.00 46.02 43.92 2kh2 n GLY 22 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kh2 h PRO 23 N 0.00 0.21 -0.12 1.61 0.11 -2.04 -2.93 132.00 128.85 2kh2 h PRO 23 Ca -0.08 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.87 2kh2 h PRO 23 Cb 0.31 -0.05 -0.25 0.00 0.11 0.00 0.00 31.00 31.13 2kh2 h PRO 23 CO 0.12 0.14 -0.82 0.66 -0.21 0.00 0.00 178.00 177.88 2kh2 n TYR 24 N -4.50 0.39 -4.49 0.65 4.01 -1.26 -5.06 117.16 106.90 2kh2 n TYR 24 Ca 0.01 -1.22 -0.22 0.00 -0.16 0.00 0.00 57.90 56.31 2kh2 n TYR 24 Cb 0.13 -0.21 -0.16 0.00 -0.31 0.00 0.00 39.34 38.79 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 -1.97 1.23 -0.06 -0.72 2.12 -1.11 -4.75 118.70 113.44 2kh2 s GLU 25 Ca 0.36 -0.37 0.05 0.00 0.36 0.00 0.00 54.97 55.38 2kh2 s GLU 25 Cb 0.38 -1.10 -0.00 0.00 0.26 0.00 0.00 34.13 33.66 2kh2 s GLU 25 CO -0.10 0.11 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.01 2kh2 s LEU 26 N 0.29 1.99 0.15 2.70 1.43 -1.26 -0.41 118.68 123.58 2kh2 s LEU 26 Ca -0.06 -0.46 0.09 0.00 -1.03 0.00 0.00 54.13 52.68 2kh2 s LEU 26 Cb -0.11 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 2kh2 s LEU 26 CO 0.01 0.18 -0.21 -0.54 0.23 0.00 0.00 176.35 176.02 2kh2 s LYS 27 N 0.08 1.30 -0.21 1.70 1.02 -0.35 -3.57 119.74 119.71 2kh2 s LYS 27 Ca -0.08 -1.37 -0.03 0.00 0.02 0.00 0.00 55.97 54.51 2kh2 s LYS 27 Cb -0.14 -1.51 -0.01 0.00 -0.52 0.00 0.00 37.83 35.65 2kh2 s LYS 27 CO 0.04 0.33 -0.06 0.00 -0.92 0.00 0.00 175.35 174.74 2kh2 s ALA 28 N -1.66 2.75 0.08 5.17 0.00 0.38 -0.43 121.76 128.06 2kh2 s ALA 28 Ca 0.14 -1.16 -0.12 0.00 0.00 0.00 0.00 51.96 50.83 2kh2 s ALA 28 Cb -0.08 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.44 2kh2 s ALA 28 CO 0.07 -0.38 0.28 -0.48 0.00 0.00 0.00 175.76 175.25 2kh2 s LEU 29 N 1.39 0.98 0.13 0.00 0.05 -0.36 -2.93 118.68 117.94 2kh2 s LEU 29 Ca 0.05 -0.42 -0.31 0.00 0.05 0.00 0.00 54.13 53.50 2kh2 s LEU 29 Cb -0.14 1.35 -0.11 0.00 -2.05 0.00 0.00 46.19 45.24 2kh2 s LEU 29 CO -0.04 -0.72 1.83 1.41 -0.55 0.00 0.00 176.35 178.28 2kh2 n HIS 30 N 0.10 2.63 -3.86 3.48 8.25 -1.26 0.09 115.22 124.65 2kh2 n HIS 30 Ca -0.16 -0.14 -0.29 0.00 -0.26 0.00 0.00 57.72 56.86 2kh2 n HIS 30 Cb 0.62 -2.73 -0.13 0.00 1.12 0.00 0.00 29.99 28.87 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 2.65 4.02 -0.23 2.41 2.96 -1.25 -4.87 118.68 124.38 2kh2 s LEU 31 Ca 0.82 -3.24 -0.02 0.00 -0.22 0.00 0.00 54.13 51.46 2kh2 s LEU 31 Cb -0.48 -1.46 0.07 0.00 0.50 0.00 0.00 46.19 44.82 2kh2 s LEU 31 CO 0.37 -0.18 0.06 -1.58 -1.32 0.00 0.00 176.35 173.69 2kh2 s GLN 32 N -0.55 0.63 0.00 1.98 -0.44 -1.26 -4.78 119.66 115.24 2kh2 s GLN 32 Ca 0.21 -0.57 0.00 0.00 -2.50 0.00 0.00 55.36 52.50 2kh2 s GLN 32 Cb -0.17 -2.01 0.00 0.00 -1.64 0.00 0.00 33.01 29.20 2kh2 s GLN 32 CO -0.07 -0.75 0.00 0.41 0.50 0.00 0.00 175.29 175.39 2kh2 n GLY 33 N 5.02 -0.03 0.08 2.59 0.00 -1.26 -4.88 105.19 106.71 2kh2 n GLY 33 Ca -0.07 -1.02 0.13 0.00 0.00 0.00 0.00 46.02 45.05 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 0.21 -0.16 1.61 -0.06 -1.26 -3.02 117.38 114.69 2kh2 n GLN 34 Ca 0.00 0.16 0.04 0.00 -2.00 0.00 0.00 57.00 55.20 2kh2 n GLN 34 Cb 0.00 -1.73 0.13 0.00 -4.06 0.00 0.00 30.24 24.57 2kh2 n GLN 34 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2kh2 n ASP 35 N -2.09 1.64 0.04 1.69 10.43 -1.26 -4.18 116.55 122.82 2kh2 n ASP 35 Ca 0.06 -2.04 0.02 0.00 2.57 0.00 0.00 54.79 55.39 2kh2 n ASP 35 Cb 0.41 -0.23 0.37 0.00 1.84 0.00 0.00 41.12 43.51 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 -1.07 0.00 0.00 177.20 176.10 2kh2 h MET 36 N 1.61 0.43 -0.21 -1.24 4.05 -1.84 -2.31 114.93 115.41 2kh2 h MET 36 Ca 0.00 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2kh2 h MET 36 Cb 0.45 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.18 2kh2 h MET 36 CO 0.02 0.43 0.00 0.39 0.23 0.00 0.00 176.91 177.99 2kh2 n GLU 37 N -4.34 1.22 -0.30 0.39 -0.58 -1.26 -3.16 120.64 112.61 2kh2 n GLU 37 Ca 0.01 -0.29 0.10 0.00 -0.42 0.00 0.00 57.16 56.56 2kh2 n GLU 37 Cb 0.20 -1.14 0.28 0.00 -0.57 0.00 0.00 31.44 30.20 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 -0.22 2.45 -2.15 3.49 6.02 -0.87 -4.96 117.38 121.14 2kh2 n GLN 38 Ca 0.03 -2.25 -0.37 0.00 -0.01 0.00 0.00 57.00 54.40 2kh2 n GLN 38 Cb 0.11 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.88 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 -1.21 3.56 0.11 -1.09 -2.07 -1.19 -4.76 119.66 113.02 2kh2 s GLN 39 Ca 0.42 1.85 -0.20 0.00 -1.82 0.00 0.00 55.36 55.61 2kh2 s GLN 39 Cb 0.22 -2.32 -0.07 0.00 -1.09 0.00 0.00 33.01 29.75 2kh2 s GLN 39 CO 0.29 -0.74 0.62 0.08 -1.32 0.00 0.00 175.29 174.23 2kh2 s VAL 40 N -1.52 4.66 -0.15 3.63 1.01 -1.12 -5.05 120.40 121.85 2kh2 s VAL 40 Ca 0.67 1.29 -0.04 0.00 0.00 0.00 0.00 61.98 63.90 2kh2 s VAL 40 Cb -0.30 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 2kh2 s VAL 40 CO 0.36 0.49 -0.03 -0.69 0.00 0.00 0.00 175.10 175.24 2kh2 s VAL 41 N -1.18 4.00 0.00 2.92 1.01 -1.26 -4.58 120.40 121.30 2kh2 s VAL 41 Ca 0.32 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 2kh2 s VAL 41 Cb -0.20 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2kh2 s VAL 41 CO 0.21 0.50 0.08 -0.36 0.00 0.00 0.00 175.10 175.52 2kh2 s PHE 42 N 0.29 3.27 -0.24 5.22 0.08 -0.27 -1.85 117.98 124.47 2kh2 s PHE 42 Ca -0.03 0.19 -0.10 0.00 0.12 0.00 0.00 56.93 57.12 2kh2 s PHE 42 Cb -0.14 -1.73 -0.05 0.00 -0.57 0.00 0.00 43.02 40.54 2kh2 s PHE 42 CO 0.03 0.54 0.14 -1.12 -0.10 0.00 0.00 175.22 174.71 2kh2 s SER 43 N -1.76 5.89 -0.38 1.36 0.01 -0.20 -1.68 113.70 116.94 2kh2 s SER 43 Ca 0.23 0.03 -0.08 0.00 1.31 0.00 0.00 55.95 57.44 2kh2 s SER 43 Cb -0.12 -2.07 0.06 0.00 0.21 0.00 0.00 66.02 64.10 2kh2 s SER 43 CO 0.14 0.03 0.19 -0.04 0.41 0.00 0.00 173.24 173.97 2kh2 s MET 44 N 1.24 2.58 0.06 12.44 -1.94 0.34 -3.19 119.30 130.83 2kh2 s MET 44 Ca 0.07 -1.34 -0.06 0.00 -1.71 0.00 0.00 55.69 52.65 2kh2 s MET 44 Cb -0.14 -3.63 -0.05 0.00 2.01 0.00 0.00 34.83 33.02 2kh2 s MET 44 CO 0.06 -0.82 0.30 -1.12 -0.01 0.00 0.00 175.02 173.43 2kh2 s SER 45 N 1.76 6.50 -0.88 3.03 0.01 -1.24 -1.45 113.70 121.42 2kh2 s SER 45 Ca 0.01 0.56 -0.21 0.00 1.31 0.00 0.00 55.95 57.62 2kh2 s SER 45 Cb -0.21 -2.08 0.09 0.00 0.21 0.00 0.00 66.02 64.02 2kh2 s SER 45 CO 0.02 0.18 1.19 -0.36 0.41 0.00 0.00 173.24 174.69 2kh2 s PHE 46 N -1.43 2.81 0.63 2.43 0.08 -0.54 -2.13 117.98 119.84 2kh2 s PHE 46 Ca 0.32 -0.97 -0.11 0.00 0.12 0.00 0.00 56.93 56.30 2kh2 s PHE 46 Cb -0.13 -4.42 0.14 0.00 -0.57 0.00 0.00 43.02 38.04 2kh2 s PHE 46 CO 0.20 -1.69 0.86 1.33 -0.10 0.00 0.00 175.22 175.82 2kh2 n VAL 47 N 6.02 0.00 -4.79 -0.44 0.24 -1.09 -4.75 118.33 113.52 2kh2 n VAL 47 Ca 0.19 -0.64 -0.33 0.00 -2.04 0.00 0.00 64.34 61.52 2kh2 n VAL 47 Cb 0.49 -1.67 -0.15 0.00 -1.47 0.00 0.00 33.84 31.04 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 -4.86 3.33 0.00 7.34 2.00 -0.92 -4.82 119.66 121.72 2kh2 s GLN 48 Ca 0.49 -0.71 0.00 0.00 -2.00 0.00 0.00 55.36 53.13 2kh2 s GLN 48 Cb -0.01 -2.60 0.00 0.00 0.80 0.00 0.00 33.01 31.20 2kh2 s GLN 48 CO 0.34 0.19 0.00 0.41 -0.50 0.00 0.00 175.29 175.73 2kh2 n GLY 49 N 3.59 -0.65 3.47 2.59 0.00 -1.26 -4.82 105.19 108.10 2kh2 n GLY 49 Ca -0.18 0.58 -0.43 0.00 0.00 0.00 0.00 46.02 45.99 2kh2 n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kh2 s GLU 50 N 0.00 3.07 0.08 1.61 2.56 -1.26 -5.04 118.70 119.72 2kh2 s GLU 50 Ca 0.00 -0.85 0.09 0.00 0.00 0.00 0.00 54.97 54.21 2kh2 s GLU 50 Cb 0.00 -3.99 -0.04 0.00 2.00 0.00 0.00 34.13 32.10 2kh2 s GLU 50 CO 0.00 -0.88 -0.23 -2.00 -0.56 0.00 0.00 175.26 171.59 2kh2 s GLU 51 N 2.08 1.75 0.00 4.30 2.12 -1.26 -3.30 118.70 124.39 2kh2 s GLU 51 Ca 0.11 -1.16 0.00 0.00 0.36 0.00 0.00 54.97 54.28 2kh2 s GLU 51 Cb -0.18 -2.04 0.00 0.00 0.26 0.00 0.00 34.13 32.17 2kh2 s GLU 51 CO 0.12 0.50 0.00 -1.13 -0.54 0.00 0.00 175.26 174.21 2kh2 n SER 52 N 1.28 0.00 0.10 -1.70 3.41 -0.19 -4.97 113.62 111.55 2kh2 n SER 52 Ca -0.17 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.54 2kh2 n SER 52 Cb 0.52 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2kh2 n SER 52 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2kh2 h ASN 53 N 0.00 0.00 0.00 4.04 -0.26 -2.01 -3.40 115.58 113.95 2kh2 h ASN 53 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2kh2 h ASN 53 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 2kh2 h ASN 53 CO 0.00 0.07 -0.88 -0.90 -1.06 0.00 0.00 177.43 174.65 2kh2 n ASP 54 N -2.72 4.42 -4.53 5.81 5.75 -1.26 -4.94 116.55 119.07 2kh2 n ASP 54 Ca -0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.37 2kh2 n ASP 54 Cb 0.58 0.46 -0.10 0.00 -1.03 0.00 0.00 41.12 41.03 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 -1.88 3.52 -0.11 0.11 2.20 -1.26 -1.47 119.74 120.86 2kh2 s LYS 55 Ca 0.00 -0.61 0.04 0.00 -0.36 0.00 0.00 55.97 55.03 2kh2 s LYS 55 Cb 0.00 -3.80 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 2kh2 s LYS 55 CO 0.00 -0.44 -0.23 0.42 -0.36 0.00 0.00 175.35 174.74 2kh2 s ILE 56 N 1.74 2.03 -0.42 5.43 -1.09 -0.61 -1.02 121.20 127.26 2kh2 s ILE 56 Ca 0.06 -1.00 -0.28 0.00 -2.23 0.00 0.00 60.65 57.21 2kh2 s ILE 56 Cb -0.17 -1.76 0.02 0.00 -1.58 0.00 0.00 42.46 38.97 2kh2 s ILE 56 CO 0.11 0.55 1.07 -2.16 -1.23 0.00 0.00 174.94 173.28 2kh2 s PRO 57 N 0.43 3.81 0.17 2.79 0.04 -1.21 -0.31 135.00 140.72 2kh2 s PRO 57 Ca -0.17 0.65 0.04 0.00 0.04 0.00 0.00 61.00 61.56 2kh2 s PRO 57 Cb -0.18 -3.85 -0.05 0.00 0.04 0.00 0.00 34.50 30.46 2kh2 s PRO 57 CO 0.07 -1.19 -0.06 0.14 0.04 0.00 0.00 177.00 176.00 2kh2 s VAL 58 N 4.06 1.07 -0.05 -0.36 -7.23 -0.38 -2.65 120.40 114.86 2kh2 s VAL 58 Ca 0.45 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.55 2kh2 s VAL 58 Cb -0.09 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 2kh2 s VAL 58 CO 0.25 -0.60 0.09 0.00 -0.31 0.00 0.00 175.10 174.54 2kh2 s ALA 59 N -3.39 3.65 -0.44 1.32 0.00 -0.90 -1.30 121.76 120.69 2kh2 s ALA 59 Ca 0.21 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.39 2kh2 s ALA 59 Cb 0.04 -1.69 0.12 0.00 0.00 0.00 0.00 23.12 21.58 2kh2 s ALA 59 CO 0.03 0.66 0.20 -0.51 0.00 0.00 0.00 175.76 176.14 2kh2 s LEU 60 N -1.42 4.88 0.20 0.00 1.43 -1.26 -3.60 118.68 118.91 2kh2 s LEU 60 Ca 0.20 -2.42 0.07 0.00 -1.03 0.00 0.00 54.13 50.95 2kh2 s LEU 60 Cb -0.12 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 2kh2 s LEU 60 CO 0.10 -0.39 -0.13 -0.83 0.23 0.00 0.00 176.35 175.33 2kh2 s GLY 61 N 0.87 1.39 0.18 -3.19 0.00 -1.19 -1.65 107.32 103.72 2kh2 s GLY 61 Ca 0.12 -1.65 -0.30 0.00 0.00 0.00 0.00 44.72 42.90 2kh2 s GLY 61 CO -0.05 -1.73 1.04 1.08 0.00 0.00 0.00 173.10 173.44 2kh2 s LEU 62 N -3.30 4.53 0.10 0.66 1.02 -0.32 -1.03 118.68 120.35 2kh2 s LEU 62 Ca 0.22 2.01 -0.34 0.00 0.02 0.00 0.00 54.13 56.04 2kh2 s LEU 62 Cb 0.00 -3.60 -0.13 0.00 0.02 0.00 0.00 46.19 42.48 2kh2 s LEU 62 CO 0.06 -0.11 1.64 1.17 0.02 0.00 0.00 176.35 179.13 2kh2 n LYS 63 N 2.19 2.14 -1.86 1.70 4.81 -0.77 -1.70 118.16 124.66 2kh2 n LYS 63 Ca 0.01 0.77 -0.15 0.00 -0.87 0.00 0.00 58.31 58.08 2kh2 n LYS 63 Cb 0.47 -2.56 -0.04 0.00 0.02 0.00 0.00 35.03 32.92 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 4.12 -1.64 -4.34 1.64 0.00 -1.26 -4.95 120.64 114.21 2kh2 n GLU 64 Ca 0.18 0.82 -0.19 0.00 0.00 0.00 0.00 57.16 57.97 2kh2 n GLU 64 Cb 0.29 -5.25 -0.13 0.00 0.00 0.00 0.00 31.44 26.35 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2kh2 s LYS 65 N -4.03 0.88 -0.25 3.44 1.02 -0.69 -5.03 119.74 115.08 2kh2 s LYS 65 Ca 0.00 -0.69 -0.01 0.00 0.02 0.00 0.00 55.97 55.29 2kh2 s LYS 65 Cb 0.00 -0.86 0.15 0.00 -0.52 0.00 0.00 37.83 36.60 2kh2 s LYS 65 CO 0.00 0.21 2.09 0.27 -0.92 0.00 0.00 175.35 177.00 2kh2 n ASN 66 N 2.03 6.20 -4.18 2.83 6.94 -1.26 -4.34 115.26 123.48 2kh2 n ASN 66 Ca -0.18 -2.92 -0.33 0.00 -0.02 0.00 0.00 54.58 51.13 2kh2 n ASN 66 Cb 0.55 -1.09 -0.16 0.00 -2.36 0.00 0.00 39.78 36.72 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 -1.40 2.30 0.11 -4.53 1.43 -1.26 -0.71 118.68 114.61 2kh2 s LEU 67 Ca 0.26 -0.57 0.08 0.00 -1.03 0.00 0.00 54.13 52.87 2kh2 s LEU 67 Cb 0.20 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 2kh2 s LEU 67 CO -0.01 0.03 -0.20 -0.31 0.23 0.00 0.00 176.35 176.08 2kh2 s TYR 68 N 1.13 1.77 -0.09 0.29 1.51 -0.78 -1.17 117.35 120.00 2kh2 s TYR 68 Ca 0.01 -0.43 -0.30 0.00 -1.01 0.00 0.00 57.07 55.34 2kh2 s TYR 68 Cb -0.14 -0.96 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 2kh2 s TYR 68 CO -0.07 0.22 1.47 -0.51 -1.11 0.00 0.00 175.55 175.54 2kh2 s LEU 69 N -2.03 4.27 -0.12 -1.29 1.43 -0.66 -1.07 118.68 119.21 2kh2 s LEU 69 Ca 0.08 2.01 -0.01 0.00 -1.03 0.00 0.00 54.13 55.17 2kh2 s LEU 69 Cb -0.09 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 2kh2 s LEU 69 CO 0.05 -0.83 -0.09 -0.55 0.23 0.00 0.00 176.35 175.15 2kh2 s SER 70 N 2.60 4.41 -0.40 2.29 0.15 0.12 -4.47 113.70 118.40 2kh2 s SER 70 Ca 0.65 -0.18 -0.11 0.00 0.70 0.00 0.00 55.95 57.00 2kh2 s SER 70 Cb -0.28 -1.50 0.05 0.00 -1.71 0.00 0.00 66.02 62.58 2kh2 s SER 70 CO 0.23 0.23 0.25 0.00 1.20 0.00 0.00 173.24 175.15 2kh2 s VAL 72 N 1.52 0.76 -0.25 0.00 -7.23 -1.10 -4.70 120.40 109.40 2kh2 s VAL 72 Ca 0.03 -1.98 -0.18 0.00 -1.81 0.00 0.00 61.98 58.03 2kh2 s VAL 72 Cb -0.21 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 2kh2 s VAL 72 CO 0.05 -0.57 0.54 -0.76 -0.31 0.00 0.00 175.10 174.05 2kh2 s LEU 73 N -3.16 4.07 -0.08 1.32 1.43 -1.26 -0.10 118.68 120.90 2kh2 s LEU 73 Ca 0.21 0.58 -0.00 0.00 -1.03 0.00 0.00 54.13 53.89 2kh2 s LEU 73 Cb 0.05 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.59 2kh2 s LEU 73 CO 0.02 -0.29 -0.04 -0.54 0.23 0.00 0.00 176.35 175.73 2kh2 s LYS 74 N 2.24 1.03 -1.03 1.70 1.02 0.69 -4.82 119.74 120.56 2kh2 s LYS 74 Ca 0.23 -0.09 -0.00 0.00 0.02 0.00 0.00 55.97 56.12 2kh2 s LYS 74 Cb -0.16 -1.16 0.00 0.00 -0.52 0.00 0.00 37.83 36.00 2kh2 s LYS 74 CO 0.09 -0.21 0.86 -3.47 -0.92 0.00 0.00 175.35 171.70 2kh2 n ASP 75 N 4.71 -2.09 -2.21 2.83 -0.08 -1.26 -2.67 116.55 115.77 2kh2 n ASP 75 Ca -0.14 -0.53 -0.17 0.00 -1.51 0.00 0.00 54.79 52.43 2kh2 n ASP 75 Cb 0.50 -4.48 -0.02 0.00 2.34 0.00 0.00 41.12 39.46 2kh2 n ASP 75 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kh2 n ASP 76 N -2.83 -4.99 -3.68 1.67 2.03 -1.26 -4.95 116.55 102.54 2kh2 n ASP 76 Ca -0.25 0.15 -0.14 0.00 0.52 0.00 0.00 54.79 55.08 2kh2 n ASP 76 Cb 0.64 -4.24 -0.08 0.00 -0.72 0.00 0.00 41.12 36.72 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2kh2 s LYS 77 N -4.69 0.67 0.12 -0.67 2.47 -1.09 -5.13 119.74 111.41 2kh2 s LYS 77 Ca 0.00 0.77 -0.31 0.00 -1.56 0.00 0.00 55.97 54.87 2kh2 s LYS 77 Cb 0.00 0.32 -0.10 0.00 -1.46 0.00 0.00 37.83 36.60 2kh2 s LYS 77 CO 0.00 -0.08 1.72 -2.14 0.16 0.00 0.00 175.35 175.01 2kh2 s PRO 78 N 0.26 4.16 0.00 4.03 0.02 -1.26 -0.22 135.00 142.00 2kh2 s PRO 78 Ca -0.00 2.48 0.05 0.00 0.02 0.00 0.00 61.00 63.55 2kh2 s PRO 78 Cb -0.04 -3.47 -0.01 0.00 0.02 0.00 0.00 34.50 31.00 2kh2 s PRO 78 CO 0.01 -0.76 -0.16 0.99 -0.33 0.00 0.00 177.00 176.75 2kh2 s THR 79 N 2.29 1.23 0.07 0.99 2.01 0.85 -4.79 115.64 118.29 2kh2 s THR 79 Ca 0.76 -0.76 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 2kh2 s THR 79 Cb -0.44 -1.05 -0.07 0.00 0.01 0.00 0.00 72.50 70.96 2kh2 s THR 79 CO 0.34 0.27 0.63 -0.22 -0.69 0.00 0.00 174.62 174.94 2kh2 s LEU 80 N -0.57 4.52 0.26 4.42 2.96 -1.26 -2.71 118.68 126.29 2kh2 s LEU 80 Ca 0.05 1.33 -0.14 0.00 -0.22 0.00 0.00 54.13 55.15 2kh2 s LEU 80 Cb -0.06 -3.00 0.00 0.00 0.50 0.00 0.00 46.19 43.63 2kh2 s LEU 80 CO -0.00 0.21 0.53 0.00 -1.32 0.00 0.00 176.35 175.77 2kh2 s GLN 81 N -0.88 1.61 -0.17 1.98 -2.07 -0.72 -4.93 119.66 114.48 2kh2 s GLN 81 Ca 0.31 -1.20 -0.05 0.00 -1.82 0.00 0.00 55.36 52.60 2kh2 s GLN 81 Cb -0.20 0.50 -0.03 0.00 -1.09 0.00 0.00 33.01 32.19 2kh2 s GLN 81 CO 0.20 -0.68 0.01 -0.51 -1.32 0.00 0.00 175.29 172.99 2kh2 s LEU 82 N -3.00 3.49 -0.05 2.60 2.01 -1.26 0.13 118.68 122.60 2kh2 s LEU 82 Ca 0.20 -0.05 0.04 0.00 0.01 0.00 0.00 54.13 54.33 2kh2 s LEU 82 Cb -0.02 -1.86 -0.02 0.00 0.01 0.00 0.00 46.19 44.29 2kh2 s LEU 82 CO 0.09 0.16 -0.17 -1.61 1.01 0.00 0.00 176.35 175.83 2kh2 s GLU 83 N 0.43 2.54 -0.45 1.70 2.02 -0.23 -4.91 118.70 119.80 2kh2 s GLU 83 Ca -0.01 -0.74 -0.25 0.00 0.02 0.00 0.00 54.97 53.99 2kh2 s GLU 83 Cb -0.13 -2.34 0.03 0.00 0.10 0.00 0.00 34.13 31.78 2kh2 s GLU 83 CO 0.02 0.56 0.90 -1.12 0.02 0.00 0.00 175.26 175.64 2kh2 s SER 84 N -0.57 6.49 0.18 -0.19 0.01 -1.26 -1.87 113.70 116.49 2kh2 s SER 84 Ca 0.08 0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.48 2kh2 s SER 84 Cb -0.11 -2.44 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 2kh2 s SER 84 CO 0.01 -1.01 0.31 0.68 0.41 0.00 0.00 173.24 173.64 2kh2 s VAL 85 N 3.65 5.30 -0.16 3.43 -7.23 0.11 -5.03 120.40 120.47 2kh2 s VAL 85 Ca 0.36 -0.79 -0.35 0.00 -1.81 0.00 0.00 61.98 59.39 2kh2 s VAL 85 Cb -0.11 -3.79 -0.12 0.00 0.56 0.00 0.00 36.38 32.93 2kh2 s VAL 85 CO 0.25 -0.18 1.92 -0.67 -0.31 0.00 0.00 175.10 176.11 2kh2 n ASP 86 N -0.87 3.12 0.23 4.85 4.64 -1.26 -4.82 116.55 122.44 2kh2 n ASP 86 Ca -0.08 0.88 0.16 0.00 -1.38 0.00 0.00 54.79 54.38 2kh2 n ASP 86 Cb 0.55 -1.33 0.75 0.00 -1.04 0.00 0.00 41.12 40.05 2kh2 n ASP 86 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2kh2 h PRO 87 N 9.59 0.00 0.00 -0.67 0.13 -1.92 -1.83 132.00 137.30 2kh2 h PRO 87 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.96 0.00 -1.23 0.36 -0.23 0.00 0.00 178.00 177.86 2kh2 n LYS 88 N -2.72 1.19 -0.16 0.86 2.85 -1.26 -4.40 118.16 114.52 2kh2 n LYS 88 Ca -0.00 -0.07 0.07 0.00 -1.05 0.00 0.00 58.31 57.25 2kh2 n LYS 88 Cb 0.18 -1.30 0.15 0.00 -0.65 0.00 0.00 35.03 33.41 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 -1.71 2.87 -3.99 -5.58 3.02 -1.04 -4.97 115.26 103.86 2kh2 n ASN 89 Ca 0.00 -1.89 -0.13 0.00 -0.03 0.00 0.00 54.58 52.53 2kh2 n ASN 89 Cb 0.33 -0.21 -0.12 0.00 -0.61 0.00 0.00 39.78 39.16 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 -1.03 0.44 0.85 3.10 1.51 -0.71 -4.50 117.35 117.01 2kh2 s TYR 90 Ca 0.25 -0.34 -0.09 0.00 -1.01 0.00 0.00 57.07 55.88 2kh2 s TYR 90 Cb 0.14 -0.28 0.17 0.00 -0.11 0.00 0.00 41.96 41.88 2kh2 s TYR 90 CO 0.19 -0.08 1.17 -1.25 -1.11 0.00 0.00 175.55 174.47 2kh2 s PRO 91 N -0.98 1.10 0.14 -1.71 0.04 -1.26 -4.80 135.00 127.53 2kh2 s PRO 91 Ca -0.07 -0.74 -0.09 0.00 0.04 0.00 0.00 61.00 60.14 2kh2 s PRO 91 Cb -0.07 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 2kh2 s PRO 91 CO -0.00 -1.98 0.25 -1.59 0.04 0.00 0.00 177.00 173.71 2kh2 s LYS 92 N -5.55 1.04 0.02 4.56 -2.85 -1.26 -5.07 119.74 110.62 2kh2 s LYS 92 Ca 0.71 -1.10 -0.22 0.00 -1.00 0.00 0.00 55.97 54.35 2kh2 s LYS 92 Cb -0.04 0.36 -0.17 0.00 -2.06 0.00 0.00 37.83 35.92 2kh2 s LYS 92 CO 0.49 -0.36 1.30 -0.22 0.10 0.00 0.00 175.35 176.65 2kh2 h LYS 93 N 2.62 0.24 -4.25 1.78 3.64 -1.98 -3.36 116.57 115.26 2kh2 h LYS 93 Ca -0.33 -0.14 -0.76 0.00 -1.27 0.00 0.00 60.65 58.16 2kh2 h LYS 93 Cb 1.22 0.01 -0.23 0.00 -0.41 0.00 0.00 32.23 32.82 2kh2 h LYS 93 CO 0.51 0.68 0.57 0.21 -2.27 0.00 0.00 179.45 179.16 2kh2 s LYS 94 N -4.20 3.80 0.88 1.90 2.47 -1.26 -2.17 119.74 121.15 2kh2 s LYS 94 Ca -0.15 -2.44 -0.12 0.00 -1.56 0.00 0.00 55.97 51.70 2kh2 s LYS 94 Cb 0.04 -4.69 0.16 0.00 -1.46 0.00 0.00 37.83 31.88 2kh2 s LYS 94 CO 0.73 -1.49 1.22 -1.64 0.16 0.00 0.00 175.35 174.33 2kh2 s MET 95 N 0.79 1.15 0.48 4.03 -1.94 -1.26 -5.04 119.30 117.52 2kh2 s MET 95 Ca 0.28 -0.42 -0.21 0.00 -1.71 0.00 0.00 55.69 53.63 2kh2 s MET 95 Cb -0.07 -1.97 -0.08 0.00 2.01 0.00 0.00 34.83 34.72 2kh2 s MET 95 CO -0.08 -2.03 1.08 -1.21 -0.01 0.00 0.00 175.02 172.78 2kh2 s GLU 96 N -5.67 3.74 0.53 2.03 8.01 -1.26 -4.90 118.70 121.18 2kh2 s GLU 96 Ca 0.70 1.51 0.20 0.00 0.01 0.00 0.00 54.97 57.39 2kh2 s GLU 96 Cb -0.06 -2.19 1.38 0.00 -4.31 0.00 0.00 34.13 28.95 2kh2 s GLU 96 CO 0.50 -0.51 2.12 -0.22 0.01 0.00 0.00 175.26 177.17 2kh2 h LYS 97 N 1.69 0.00 0.00 1.61 1.63 -1.96 0.11 116.57 119.65 2kh2 h LYS 97 Ca -0.49 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 2kh2 h LYS 97 Cb 1.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2kh2 h LYS 97 CO 0.59 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 179.48 2kh2 n ARG 98 N -4.38 0.40 0.00 1.90 1.85 -1.26 -2.90 116.66 112.26 2kh2 n ARG 98 Ca 0.00 0.02 0.03 0.00 -1.00 0.00 0.00 57.85 56.90 2kh2 n ARG 98 Cb 0.22 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.15 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 -1.29 0.00 -3.48 2.89 3.72 0.33 -0.95 117.46 118.68 2kh2 n PHE 99 Ca 0.13 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.15 2kh2 n PHE 99 Cb 0.22 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.67 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 -0.50 5.24 0.09 -4.37 1.01 -0.94 -4.22 120.40 116.71 2kh2 s VAL 100 Ca 0.07 0.42 0.06 0.00 0.00 0.00 0.00 61.98 62.53 2kh2 s VAL 100 Cb 0.05 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2kh2 s VAL 100 CO 0.07 0.22 -0.04 -0.36 0.00 0.00 0.00 175.10 174.99 2kh2 s PHE 101 N 1.75 2.89 -0.47 5.22 0.40 -0.42 -2.49 117.98 124.86 2kh2 s PHE 101 Ca 0.12 -0.08 -0.12 0.00 -0.60 0.00 0.00 56.93 56.26 2kh2 s PHE 101 Cb -0.15 -1.50 0.10 0.00 0.51 0.00 0.00 43.02 41.97 2kh2 s PHE 101 CO 0.09 0.45 0.36 -0.80 0.70 0.00 0.00 175.22 176.02 2kh2 s ASN 102 N -2.21 5.87 -0.72 1.36 0.02 0.28 -1.24 114.94 118.29 2kh2 s ASN 102 Ca 0.23 -1.64 -0.27 0.00 -1.02 0.00 0.00 52.86 50.16 2kh2 s ASN 102 Cb -0.11 -2.08 0.02 0.00 0.02 0.00 0.00 41.25 39.10 2kh2 s ASN 102 CO 0.16 -0.67 1.37 -0.75 0.02 0.00 0.00 177.10 177.23 2kh2 s LYS 103 N 1.48 3.10 0.18 -0.60 2.20 0.58 -0.79 119.74 125.90 2kh2 s LYS 103 Ca 0.04 -0.10 -0.09 0.00 -0.36 0.00 0.00 55.97 55.46 2kh2 s LYS 103 Cb -0.26 -4.21 -0.07 0.00 -1.51 0.00 0.00 37.83 31.79 2kh2 s LYS 103 CO 0.02 -2.24 0.48 0.42 -0.36 0.00 0.00 175.35 173.68 2kh2 s ILE 104 N 6.26 5.01 -0.16 5.43 1.01 1.00 -1.57 121.20 138.17 2kh2 s ILE 104 Ca 0.40 0.40 -0.04 0.00 0.00 0.00 0.00 60.65 61.40 2kh2 s ILE 104 Cb -0.09 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 2kh2 s ILE 104 CO 0.16 0.04 -0.02 -1.61 0.00 0.00 0.00 174.94 173.51 2kh2 s GLU 105 N -2.55 3.72 0.00 2.79 0.41 -0.54 -0.93 118.70 121.60 2kh2 s GLU 105 Ca 0.43 -0.49 0.00 0.00 -0.41 0.00 0.00 54.97 54.49 2kh2 s GLU 105 Cb -0.12 -2.96 0.00 0.00 -1.78 0.00 0.00 34.13 29.27 2kh2 s GLU 105 CO 0.21 0.24 0.00 -0.89 -0.49 0.00 0.00 175.26 174.34 2kh2 n ILE 106 N 3.54 0.00 0.00 -1.63 5.41 -1.00 -4.94 119.36 120.75 2kh2 n ILE 106 Ca -0.17 0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.72 2kh2 n ILE 106 Cb 0.52 -1.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.36 2kh2 n ILE 106 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2kh2 n ASN 107 N -1.79 0.00 0.01 4.38 0.23 -1.26 -4.95 115.26 111.88 2kh2 n ASN 107 Ca 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.16 2kh2 n ASN 107 Cb 0.00 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 37.76 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 0.67 -4.57 0.53 5.03 -1.26 -4.91 115.26 110.75 2kh2 n ASN 108 Ca 0.00 -0.43 -0.24 0.00 0.87 0.00 0.00 54.58 54.78 2kh2 n ASN 108 Cb 0.00 0.67 -0.08 0.00 -1.02 0.00 0.00 39.78 39.34 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 -3.08 2.04 0.14 3.52 -0.14 -1.26 -4.94 119.74 116.02 2kh2 s LYS 109 Ca 0.07 -1.53 0.08 0.00 -1.36 0.00 0.00 55.97 53.23 2kh2 s LYS 109 Cb 0.16 -2.02 -0.04 0.00 -1.68 0.00 0.00 37.83 34.25 2kh2 s LYS 109 CO 0.79 0.36 -0.17 -0.48 -0.76 0.00 0.00 175.35 175.08 2kh2 s LEU 110 N -3.52 2.40 0.17 3.17 2.34 -0.82 -2.37 118.68 120.04 2kh2 s LEU 110 Ca 0.30 -0.81 0.10 0.00 0.06 0.00 0.00 54.13 53.79 2kh2 s LEU 110 Cb -0.06 -0.75 -0.04 0.00 -0.56 0.00 0.00 46.19 44.77 2kh2 s LEU 110 CO 0.18 -0.05 -0.23 -1.83 -1.06 0.00 0.00 176.35 173.36 2kh2 s GLU 111 N -2.56 1.40 -0.35 1.48 -1.05 -0.10 -0.17 118.70 117.35 2kh2 s GLU 111 Ca 0.12 -1.43 -0.01 0.00 -0.15 0.00 0.00 54.97 53.49 2kh2 s GLU 111 Cb -0.06 -1.67 0.08 0.00 -0.44 0.00 0.00 34.13 32.03 2kh2 s GLU 111 CO 0.05 0.37 0.08 -0.06 0.95 0.00 0.00 175.26 176.65 2kh2 s PHE 112 N -1.62 3.45 0.02 4.83 0.08 -1.26 -0.00 117.98 123.48 2kh2 s PHE 112 Ca 0.17 -2.23 -0.11 0.00 0.12 0.00 0.00 56.93 54.88 2kh2 s PHE 112 Cb -0.08 -2.64 -0.05 0.00 -0.57 0.00 0.00 43.02 39.68 2kh2 s PHE 112 CO 0.08 -0.89 0.35 -2.00 -0.10 0.00 0.00 175.22 172.66 2kh2 s GLU 113 N 1.16 3.75 -0.02 0.44 2.12 0.03 -2.72 118.70 123.46 2kh2 s GLU 113 Ca 0.02 0.19 -0.29 0.00 0.36 0.00 0.00 54.97 55.25 2kh2 s GLU 113 Cb -0.21 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 2kh2 s GLU 113 CO -0.03 0.65 0.95 0.45 -0.54 0.00 0.00 175.26 176.73 2kh2 s SER 114 N -1.42 7.30 0.18 -1.70 0.15 0.41 0.98 113.70 119.60 2kh2 s SER 114 Ca 0.27 1.58 -0.05 0.00 0.70 0.00 0.00 55.95 58.45 2kh2 s SER 114 Cb -0.15 -2.55 0.09 0.00 -1.71 0.00 0.00 66.02 61.71 2kh2 s SER 114 CO 0.14 -0.27 1.52 0.00 1.20 0.00 0.00 173.24 175.84 2kh2 h ALA 115 N 6.84 0.70 -0.59 5.45 0.00 -1.73 -3.07 119.26 126.87 2kh2 h ALA 115 Ca -0.40 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 53.95 2kh2 h ALA 115 Cb 1.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2kh2 h ALA 115 CO 0.76 0.67 0.00 0.37 0.00 0.00 0.00 179.25 181.05 2kh2 h GLN 116 N 0.57 1.03 -4.07 0.00 5.75 -1.78 -3.38 115.11 113.23 2kh2 h GLN 116 Ca 0.04 -0.33 -0.65 0.00 -0.15 0.00 0.00 58.65 57.56 2kh2 h GLN 116 Cb 0.99 -0.09 -0.40 0.00 1.07 0.00 0.00 27.48 29.04 2kh2 h GLN 116 CO 0.09 1.02 -0.69 -0.06 -2.65 0.00 0.00 178.83 176.54 2kh2 s PHE 117 N -5.03 3.41 0.26 3.99 0.08 -1.16 -5.10 117.98 114.43 2kh2 s PHE 117 Ca -0.12 -3.02 -0.31 0.00 0.12 0.00 0.00 56.93 53.60 2kh2 s PHE 117 Cb 0.13 -2.81 -0.12 0.00 -0.57 0.00 0.00 43.02 39.65 2kh2 s PHE 117 CO 0.85 -0.86 1.62 -2.30 -0.10 0.00 0.00 175.22 174.43 2kh2 n PRO 118 N 3.78 2.67 -1.02 0.24 -0.02 -1.21 -2.08 135.00 137.35 2kh2 n PRO 118 Ca 0.04 0.95 -0.01 0.00 -2.02 0.00 0.00 63.50 62.47 2kh2 n PRO 118 Cb 0.38 -2.74 -0.00 0.00 -0.02 0.00 0.00 33.50 31.11 2kh2 n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2kh2 n ASN 119 N 2.66 -3.43 -4.31 2.55 5.03 -1.26 -5.01 115.26 111.49 2kh2 n ASN 119 Ca 0.11 0.02 -0.36 0.00 0.87 0.00 0.00 54.58 55.22 2kh2 n ASN 119 Cb 0.36 -1.00 -0.13 0.00 -1.02 0.00 0.00 39.78 37.98 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 -1.92 3.12 0.22 3.10 0.52 -0.89 -4.36 118.94 118.74 2kh2 s TRP 120 Ca 0.00 -1.10 0.10 0.00 0.02 0.00 0.00 56.10 55.12 2kh2 s TRP 120 Cb 0.00 -2.20 -0.04 0.00 -1.15 0.00 0.00 33.47 30.08 2kh2 s TRP 120 CO 0.00 -0.61 -0.10 0.71 0.02 0.00 0.00 176.95 176.97 2kh2 s TYR 121 N 1.46 2.55 -0.43 -1.98 1.51 0.45 -0.45 117.35 120.46 2kh2 s TYR 121 Ca 0.02 -0.26 -0.28 0.00 -1.01 0.00 0.00 57.07 55.54 2kh2 s TYR 121 Cb -0.17 -1.19 -0.00 0.00 -0.11 0.00 0.00 41.96 40.49 2kh2 s TYR 121 CO 0.00 0.58 1.60 0.42 -1.11 0.00 0.00 175.55 177.05 2kh2 s ILE 122 N -2.03 3.67 0.18 2.71 1.01 -1.10 -0.19 121.20 125.44 2kh2 s ILE 122 Ca 0.27 0.64 0.04 0.00 0.00 0.00 0.00 60.65 61.60 2kh2 s ILE 122 Cb -0.07 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 2kh2 s ILE 122 CO 0.16 -0.73 0.23 -0.44 0.00 0.00 0.00 174.94 174.16 2kh2 s SER 123 N 5.27 5.95 -0.01 3.58 0.01 0.89 -4.64 113.70 124.76 2kh2 s SER 123 Ca 0.67 0.00 0.02 0.00 1.31 0.00 0.00 55.95 57.95 2kh2 s SER 123 Cb -0.16 -1.68 -0.00 0.00 0.21 0.00 0.00 66.02 64.39 2kh2 s SER 123 CO 0.30 0.03 -0.06 0.42 0.41 0.00 0.00 173.24 174.34 2kh2 s THR 124 N -1.81 0.50 0.68 1.44 -4.23 -0.38 -2.55 115.64 109.27 2kh2 s THR 124 Ca 0.33 -0.27 -0.10 0.00 -1.18 0.00 0.00 61.69 60.47 2kh2 s THR 124 Cb -0.10 -0.42 0.01 0.00 1.34 0.00 0.00 72.50 73.33 2kh2 s THR 124 CO 0.26 0.14 1.05 -0.44 -0.54 0.00 0.00 174.62 175.09 2kh2 s SER 125 N -0.13 5.50 0.29 3.99 0.01 -1.26 0.51 113.70 122.60 2kh2 s SER 125 Ca 0.02 1.04 0.13 0.00 1.31 0.00 0.00 55.95 58.45 2kh2 s SER 125 Cb -0.03 -1.89 0.37 0.00 0.21 0.00 0.00 66.02 64.68 2kh2 s SER 125 CO -0.00 -1.26 1.60 1.56 0.41 0.00 0.00 173.24 175.54 2kh2 h GLN 126 N -0.53 0.00 -7.31 12.44 1.08 -1.97 -3.46 115.11 115.36 2kh2 h GLN 126 Ca -0.45 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.25 2kh2 h GLN 126 Cb 1.25 0.00 0.15 0.00 -0.05 0.00 0.00 27.48 28.84 2kh2 h GLN 126 CO 0.63 0.58 0.26 0.00 -0.95 0.00 0.00 178.83 179.35 2kh2 s ALA 127 N -3.46 1.71 0.27 3.87 0.00 -1.26 -5.03 121.76 117.87 2kh2 s ALA 127 Ca -0.00 0.18 -0.14 0.00 0.00 0.00 0.00 51.96 51.99 2kh2 s ALA 127 Cb 0.11 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 2kh2 s ALA 127 CO 0.74 -2.27 0.68 -2.00 0.00 0.00 0.00 175.76 172.92 2kh2 s GLU 128 N -4.85 3.99 -0.88 0.00 2.56 -1.26 -4.07 118.70 114.19 2kh2 s GLU 128 Ca 0.63 0.60 0.00 0.00 0.00 0.00 0.00 54.97 56.20 2kh2 s GLU 128 Cb -0.19 -2.58 0.00 0.00 2.00 0.00 0.00 34.13 33.36 2kh2 s GLU 128 CO 0.57 0.25 0.00 -1.71 -0.56 0.00 0.00 175.26 173.81 2kh2 n ASN 129 N -0.06 -3.55 -4.83 -1.70 5.15 -1.15 -5.01 115.26 104.12 2kh2 n ASN 129 Ca 0.01 0.07 -0.38 0.00 -0.60 0.00 0.00 54.58 53.69 2kh2 n ASN 129 Cb 0.53 -2.52 -0.06 0.00 -0.53 0.00 0.00 39.78 37.20 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 -3.94 3.93 0.93 1.20 -1.94 -1.22 -4.84 119.30 113.42 2kh2 s MET 130 Ca 0.00 0.35 -0.15 0.00 -1.71 0.00 0.00 55.69 54.18 2kh2 s MET 130 Cb 0.00 -3.24 0.18 0.00 2.01 0.00 0.00 34.83 33.77 2kh2 s MET 130 CO 0.00 0.64 1.29 -1.25 -0.01 0.00 0.00 175.02 175.68 2kh2 s PRO 131 N -0.87 0.88 -0.15 2.03 0.04 -1.26 -0.47 135.00 135.20 2kh2 s PRO 131 Ca 0.23 -0.36 -0.11 0.00 0.04 0.00 0.00 61.00 60.80 2kh2 s PRO 131 Cb -0.16 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 2kh2 s PRO 131 CO 0.12 -2.25 0.20 0.14 0.04 0.00 0.00 177.00 175.25 2kh2 s VAL 132 N -3.81 5.37 0.24 -0.36 -7.23 -1.23 -4.57 120.40 108.81 2kh2 s VAL 132 Ca 0.72 0.35 0.01 0.00 -1.81 0.00 0.00 61.98 61.25 2kh2 s VAL 132 Cb -0.05 -3.52 -0.04 0.00 0.56 0.00 0.00 36.38 33.34 2kh2 s VAL 132 CO 0.52 0.48 0.19 0.72 -0.31 0.00 0.00 175.10 176.70 2kh2 s PHE 133 N -0.06 1.31 -0.23 2.82 -0.12 -1.06 -4.87 117.98 115.78 2kh2 s PHE 133 Ca 0.13 -1.44 -0.12 0.00 -0.05 0.00 0.00 56.93 55.45 2kh2 s PHE 133 Cb -0.12 -0.58 -0.05 0.00 -0.63 0.00 0.00 43.02 41.65 2kh2 s PHE 133 CO 0.02 -0.73 0.23 -1.17 -0.05 0.00 0.00 175.22 173.53 2kh2 s LEU 134 N -3.22 4.12 0.11 -1.99 2.96 -1.26 -0.08 118.68 119.33 2kh2 s LEU 134 Ca 0.39 0.23 0.10 0.00 -0.22 0.00 0.00 54.13 54.63 2kh2 s LEU 134 Cb 0.05 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 2kh2 s LEU 134 CO 0.17 0.02 -0.25 -0.83 -1.32 0.00 0.00 176.35 174.14 2kh2 s GLY 135 N 1.07 1.44 -0.18 7.98 0.00 0.73 -4.89 107.32 113.47 2kh2 s GLY 135 Ca 0.11 -1.37 0.11 0.00 0.00 0.00 0.00 44.72 43.56 2kh2 s GLY 135 CO 0.06 -1.36 0.12 0.61 0.00 0.00 0.00 173.10 172.53 2kh2 n GLY 136 N 1.03 -0.79 3.56 0.20 0.00 -1.26 -0.41 105.19 107.51 2kh2 n GLY 136 Ca -0.18 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 2kh2 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kh2 s THR 137 N -2.52 3.73 0.06 2.61 2.01 -1.26 -4.75 115.64 115.52 2kh2 s THR 137 Ca -0.17 0.49 -0.21 0.00 0.31 0.00 0.00 61.69 62.11 2kh2 s THR 137 Cb 0.07 -4.71 -0.06 0.00 0.01 0.00 0.00 72.50 67.81 2kh2 s THR 137 CO 0.76 -1.58 0.61 -0.75 -0.69 0.00 0.00 174.62 172.97 2kh2 s LYS 138 N 5.76 4.29 0.00 4.92 2.20 -1.26 -3.98 119.74 131.67 2kh2 s LYS 138 Ca 0.42 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 56.84 2kh2 s LYS 138 Cb -0.09 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 2kh2 s LYS 138 CO 0.18 0.54 0.00 0.41 -0.36 0.00 0.00 175.35 176.13 2kh2 n GLY 139 N 1.92 0.46 0.00 5.54 0.00 -1.26 -5.05 105.19 106.80 2kh2 n GLY 139 Ca -0.08 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.74 2.42 0.18 -0.02 0.00 -1.26 -5.01 105.19 99.76 2kh2 n GLY 140 Ca 0.00 -1.80 -0.15 0.00 0.00 0.00 0.00 46.02 44.08 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 0.58 -6.92 1.61 7.50 -1.97 -3.44 115.11 112.46 2kh2 h GLN 141 Ca 0.00 -0.38 -0.49 0.00 0.50 0.00 0.00 58.65 58.28 2kh2 h GLN 141 Cb 0.00 0.05 0.02 0.00 0.05 0.00 0.00 27.48 27.60 2kh2 h GLN 141 CO 0.00 1.00 0.42 -0.51 -1.50 0.00 0.00 178.83 178.24 2kh2 s ASP 142 N -6.58 6.89 -0.23 1.46 1.01 -1.26 -4.63 116.67 113.33 2kh2 s ASP 142 Ca -0.13 2.09 -0.29 0.00 0.71 0.00 0.00 52.55 54.93 2kh2 s ASP 142 Cb 0.07 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 2kh2 s ASP 142 CO 0.82 -0.40 1.31 -0.63 0.21 0.00 0.00 175.17 176.48 2kh2 s ILE 143 N -1.54 4.16 -1.55 0.77 1.01 0.18 -4.65 121.20 119.58 2kh2 s ILE 143 Ca 0.55 1.35 0.15 0.00 0.00 0.00 0.00 60.65 62.70 2kh2 s ILE 143 Cb -0.24 -4.05 0.32 0.00 0.01 0.00 0.00 42.46 38.50 2kh2 s ILE 143 CO 0.31 -0.31 1.23 0.35 0.00 0.00 0.00 174.94 176.51 2kh2 n THR 144 N 5.86 0.64 -4.35 2.92 -2.24 -1.26 -1.25 114.28 114.59 2kh2 n THR 144 Ca 0.15 -0.82 -0.26 0.00 -2.27 0.00 0.00 64.05 60.84 2kh2 n THR 144 Cb 0.46 0.80 -0.13 0.00 -2.10 0.00 0.00 70.33 69.36 2kh2 n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2kh2 s ASP 145 N -1.11 3.02 0.16 3.42 -4.77 -1.26 -4.48 116.67 111.64 2kh2 s ASP 145 Ca 0.28 -0.75 0.02 0.00 -3.30 0.00 0.00 52.55 48.80 2kh2 s ASP 145 Cb 0.16 -0.19 -0.05 0.00 -1.09 0.00 0.00 42.92 41.75 2kh2 s ASP 145 CO 0.21 0.11 -0.03 -0.36 0.70 0.00 0.00 175.17 175.81 2kh2 s PHE 146 N -1.26 1.20 -0.17 2.11 0.08 0.77 -4.23 117.98 116.48 2kh2 s PHE 146 Ca 0.12 -0.94 -0.01 0.00 0.12 0.00 0.00 56.93 56.22 2kh2 s PHE 146 Cb -0.09 -0.68 -0.00 0.00 -0.57 0.00 0.00 43.02 41.68 2kh2 s PHE 146 CO 0.06 -0.13 -0.12 0.99 -0.10 0.00 0.00 175.22 175.92 2kh2 s THR 147 N -3.56 2.90 -0.30 0.64 2.01 0.20 -1.94 115.64 115.58 2kh2 s THR 147 Ca 0.21 -0.68 -0.09 0.00 0.31 0.00 0.00 61.69 61.44 2kh2 s THR 147 Cb 0.05 -2.25 -0.01 0.00 0.01 0.00 0.00 72.50 70.30 2kh2 s THR 147 CO 0.02 0.49 0.13 -0.32 -0.69 0.00 0.00 174.62 174.26 2kh2 s MET 148 N 0.96 3.30 -0.32 4.92 1.75 -1.26 -1.46 119.30 127.20 2kh2 s MET 148 Ca -0.02 -0.73 -0.10 0.00 -1.25 0.00 0.00 55.69 53.59 2kh2 s MET 148 Cb -0.15 -3.51 -0.01 0.00 2.84 0.00 0.00 34.83 34.00 2kh2 s MET 148 CO -0.01 -0.41 0.16 -0.65 -0.65 0.00 0.00 175.02 173.46 2kh2 s GLN 149 N 1.59 3.32 -0.01 4.11 1.11 -0.72 -4.95 119.66 124.12 2kh2 s GLN 149 Ca 0.04 -0.73 -0.30 0.00 0.01 0.00 0.00 55.36 54.38 2kh2 s GLN 149 Cb -0.17 -3.60 -0.06 0.00 -1.01 0.00 0.00 33.01 28.17 2kh2 s GLN 149 CO 0.05 -0.44 1.62 -0.06 0.01 0.00 0.00 175.29 176.48 2kh2 s PHE 150 N 1.62 2.23 0.56 0.91 0.40 -1.26 -1.96 117.98 120.49 2kh2 s PHE 150 Ca 0.05 0.31 0.08 0.00 -0.60 0.00 0.00 56.93 56.77 2kh2 s PHE 150 Cb -0.17 -3.90 0.07 0.00 0.51 0.00 0.00 43.02 39.53 2kh2 s PHE 150 CO 0.07 -3.68 0.63 0.14 0.70 0.00 0.00 175.22 173.08 2kh2 s VAL 151 N 3.36 1.92 -0.28 -0.44 -7.23 -1.17 -4.98 120.40 111.59 2kh2 s VAL 151 Ca 0.72 -1.21 -0.01 0.00 -1.81 0.00 0.00 61.98 59.68 2kh2 s VAL 151 Cb -0.35 -2.13 0.21 0.00 0.56 0.00 0.00 36.38 34.66 2kh2 s VAL 151 CO 0.30 0.00 1.94 -1.54 -0.31 0.00 0.00 175.10 175.49 2kh2 n SER 152 N -2.05 6.00 0.00 4.85 3.41 -1.26 -4.89 113.62 119.68 2kh2 n SER 152 Ca 0.08 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.73 2kh2 n SER 152 Cb 0.63 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 2kh2 n SER 152 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64