#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 -0.45 -5.53 0.00 0.13 -2.07 -3.42 132.00 120.65 2kh2 h PRO 2 Ca 0.00 0.03 -0.67 0.00 -0.87 0.00 0.00 66.00 64.50 2kh2 h PRO 2 Cb 0.00 0.10 -0.27 0.00 0.13 0.00 0.00 31.00 30.97 2kh2 h PRO 2 CO 0.00 -0.24 -0.77 0.54 -0.23 0.00 0.00 178.00 177.29 2kh2 s VAL 3 N -5.72 2.98 -0.02 1.56 0.11 -1.26 -5.09 120.40 112.97 2kh2 s VAL 3 Ca -0.15 -0.70 -0.21 0.00 -2.93 0.00 0.00 61.98 57.98 2kh2 s VAL 3 Cb 0.04 -2.23 -0.05 0.00 -1.53 0.00 0.00 36.38 32.61 2kh2 s VAL 3 CO 0.62 0.54 0.62 -0.13 -3.33 0.00 0.00 175.10 173.42 2kh2 s ARG 4 N 0.12 4.36 -0.03 1.54 0.52 -1.26 -4.96 118.95 119.24 2kh2 s ARG 4 Ca -0.07 0.78 -0.08 0.00 -0.52 0.00 0.00 55.73 55.83 2kh2 s ARG 4 Cb -0.15 -3.37 0.01 0.00 0.52 0.00 0.00 34.95 31.96 2kh2 s ARG 4 CO 0.05 0.29 0.20 -1.12 0.02 0.00 0.00 175.30 174.73 2kh2 s SER 5 N 0.05 -0.11 0.21 0.23 0.01 -1.26 -1.24 113.70 111.60 2kh2 s SER 5 Ca 0.33 0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.70 2kh2 s SER 5 Cb -0.18 0.32 -0.05 0.00 0.21 0.00 0.00 66.02 66.32 2kh2 s SER 5 CO 0.18 -0.26 0.07 -1.48 0.41 0.00 0.00 173.24 172.16 2kh2 s LEU 6 N -0.76 1.71 -0.10 2.44 0.05 -0.56 -4.97 118.68 116.50 2kh2 s LEU 6 Ca -0.08 -1.31 0.02 0.00 0.05 0.00 0.00 54.13 52.81 2kh2 s LEU 6 Cb -0.05 0.08 -0.01 0.00 -2.05 0.00 0.00 46.19 44.16 2kh2 s LEU 6 CO 0.01 -0.70 -0.16 0.20 -0.55 0.00 0.00 176.35 175.15 2kh2 s ASN 7 N -3.22 3.78 0.12 1.48 0.01 -1.26 0.18 114.94 116.03 2kh2 s ASN 7 Ca 0.33 -0.35 -0.07 0.00 -0.71 0.00 0.00 52.86 52.06 2kh2 s ASN 7 Cb 0.07 -1.35 -0.02 0.00 0.41 0.00 0.00 41.25 40.37 2kh2 s ASN 7 CO 0.09 0.21 0.17 0.00 -1.51 0.00 0.00 177.10 176.07 2kh2 s THR 9 N -3.94 2.42 -0.16 0.00 2.01 0.15 -0.22 115.64 115.89 2kh2 s THR 9 Ca 0.13 -0.92 -0.07 0.00 0.31 0.00 0.00 61.69 61.13 2kh2 s THR 9 Cb 0.05 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 2kh2 s THR 9 CO -0.05 0.56 0.08 -0.76 -0.69 0.00 0.00 174.62 173.76 2kh2 s LEU 10 N -0.09 3.96 -0.03 4.42 1.43 -1.26 -2.20 118.68 124.92 2kh2 s LEU 10 Ca -0.05 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 2kh2 s LEU 10 Cb -0.14 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.10 2kh2 s LEU 10 CO 0.04 0.24 -0.04 -0.13 0.23 0.00 0.00 176.35 176.69 2kh2 s ARG 11 N -0.01 0.60 0.96 1.70 0.52 -1.25 -4.07 118.95 117.41 2kh2 s ARG 11 Ca 0.07 -0.10 -0.16 0.00 -0.52 0.00 0.00 55.73 55.02 2kh2 s ARG 11 Cb -0.12 -0.64 0.23 0.00 0.52 0.00 0.00 34.95 34.94 2kh2 s ARG 11 CO 0.01 -0.02 1.18 -0.40 0.02 0.00 0.00 175.30 176.08 2kh2 n ASP 12 N 3.70 -0.43 0.03 0.23 5.68 -1.15 -0.94 116.55 123.66 2kh2 n ASP 12 Ca -0.22 -1.36 0.07 0.00 -0.50 0.00 0.00 54.79 52.78 2kh2 n ASP 12 Cb 0.53 -0.94 0.30 0.00 -1.14 0.00 0.00 41.12 39.87 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2kh2 n SER 13 N -4.03 0.15 -0.64 -1.12 3.41 -1.25 -0.84 113.62 109.30 2kh2 n SER 13 Ca 0.15 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.43 2kh2 n SER 13 Cb 0.54 -0.57 0.39 0.00 -0.26 0.00 0.00 64.21 64.30 2kh2 n SER 13 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2kh2 n GLN 14 N -1.67 1.87 -2.28 4.33 7.27 -1.26 -4.92 117.38 120.72 2kh2 n GLN 14 Ca 0.02 -1.28 -0.15 0.00 0.07 0.00 0.00 57.00 55.67 2kh2 n GLN 14 Cb 0.15 -1.46 -0.01 0.00 2.41 0.00 0.00 30.24 31.32 2kh2 n GLN 14 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2kh2 n GLN 15 N 0.54 -1.21 -2.92 3.69 1.13 -0.02 -4.93 117.38 113.65 2kh2 n GLN 15 Ca 0.17 0.74 -0.28 0.00 -1.94 0.00 0.00 57.00 55.69 2kh2 n GLN 15 Cb 0.42 -5.09 -0.02 0.00 0.11 0.00 0.00 30.24 25.67 2kh2 n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2kh2 s LYS 16 N -4.75 3.64 0.22 -1.09 1.02 -1.26 -4.07 119.74 113.45 2kh2 s LYS 16 Ca 0.00 0.21 0.11 0.00 0.02 0.00 0.00 55.97 56.31 2kh2 s LYS 16 Cb 0.00 -2.46 -0.05 0.00 -0.52 0.00 0.00 37.83 34.80 2kh2 s LYS 16 CO 0.00 -0.03 -0.21 -1.12 -0.92 0.00 0.00 175.35 173.07 2kh2 s SER 17 N -3.57 3.25 -0.19 2.83 0.01 0.79 -2.92 113.70 113.90 2kh2 s SER 17 Ca 0.47 -0.93 -0.16 0.00 1.31 0.00 0.00 55.95 56.64 2kh2 s SER 17 Cb -0.10 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 2kh2 s SER 17 CO 0.36 0.04 0.42 -0.76 0.41 0.00 0.00 173.24 173.71 2kh2 s LEU 18 N -3.00 4.17 0.14 2.44 1.43 -1.26 -1.72 118.68 120.89 2kh2 s LEU 18 Ca 0.23 0.58 0.09 0.00 -1.03 0.00 0.00 54.13 54.00 2kh2 s LEU 18 Cb -0.06 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 2kh2 s LEU 18 CO 0.11 -0.08 -0.22 0.68 0.23 0.00 0.00 176.35 177.07 2kh2 s VAL 19 N 1.24 1.94 -0.49 -1.59 -7.23 -0.05 -1.30 120.40 112.92 2kh2 s VAL 19 Ca 0.21 -1.77 -0.29 0.00 -1.81 0.00 0.00 61.98 58.32 2kh2 s VAL 19 Cb -0.15 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 35.01 2kh2 s VAL 19 CO 0.08 -0.12 1.24 -0.04 -0.31 0.00 0.00 175.10 175.95 2kh2 s MET 20 N -2.32 3.61 0.00 4.82 -1.94 -1.26 -1.64 119.30 120.57 2kh2 s MET 20 Ca 0.13 0.58 0.00 0.00 -1.71 0.00 0.00 55.69 54.69 2kh2 s MET 20 Cb -0.08 -3.97 0.00 0.00 2.01 0.00 0.00 34.83 32.78 2kh2 s MET 20 CO 0.06 -1.53 0.02 0.45 -0.01 0.00 0.00 175.02 174.00 2kh2 n SER 21 N 8.34 0.00 -0.24 3.03 2.88 0.12 -4.97 113.62 122.78 2kh2 n SER 21 Ca 0.12 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 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 2.53 1.76 0.21 0.46 0.00 -1.21 -4.94 105.19 104.01 2kh2 n GLY 22 Ca 0.00 -1.94 -0.05 0.00 0.00 0.00 0.00 46.02 44.04 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 0.39 -0.35 1.61 0.13 -2.04 -3.32 132.00 128.42 2kh2 h PRO 23 Ca 0.00 -0.20 -0.26 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.74 -1.03 0.66 -0.23 0.00 0.00 178.00 178.14 2kh2 n TYR 24 N -4.02 1.11 -4.56 1.56 4.01 -1.26 -5.08 117.16 108.93 2kh2 n TYR 24 Ca -0.02 -1.75 -0.22 0.00 -0.16 0.00 0.00 57.90 55.75 2kh2 n TYR 24 Cb 0.50 -0.23 -0.15 0.00 -0.31 0.00 0.00 39.34 39.15 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 -2.90 1.13 -0.05 -0.72 2.12 -1.25 -4.45 118.70 112.58 2kh2 s GLU 25 Ca 0.32 -0.43 0.05 0.00 0.36 0.00 0.00 54.97 55.27 2kh2 s GLU 25 Cb 0.35 -1.06 -0.01 0.00 0.26 0.00 0.00 34.13 33.67 2kh2 s GLU 25 CO -0.06 0.22 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.16 2kh2 s LEU 26 N -0.08 1.98 0.16 2.70 1.43 -1.26 -0.70 118.68 122.92 2kh2 s LEU 26 Ca 0.01 -0.41 0.09 0.00 -1.03 0.00 0.00 54.13 52.78 2kh2 s LEU 26 Cb -0.07 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 2kh2 s LEU 26 CO 0.00 0.20 -0.19 -0.54 0.23 0.00 0.00 176.35 176.05 2kh2 s LYS 27 N -0.08 1.28 -0.14 1.70 1.02 -0.65 -1.78 119.74 121.09 2kh2 s LYS 27 Ca -0.03 -1.40 0.01 0.00 0.02 0.00 0.00 55.97 54.57 2kh2 s LYS 27 Cb -0.12 -1.38 -0.00 0.00 -0.52 0.00 0.00 37.83 35.81 2kh2 s LYS 27 CO 0.02 0.28 -0.17 0.00 -0.92 0.00 0.00 175.35 174.57 2kh2 s ALA 28 N -1.95 2.42 0.10 5.17 0.00 0.47 -0.87 121.76 127.09 2kh2 s ALA 28 Ca 0.15 -1.02 -0.19 0.00 0.00 0.00 0.00 51.96 50.90 2kh2 s ALA 28 Cb -0.06 -1.12 0.05 0.00 0.00 0.00 0.00 23.12 21.98 2kh2 s ALA 28 CO 0.07 0.06 0.47 -0.48 0.00 0.00 0.00 175.76 175.88 2kh2 s LEU 29 N 0.67 0.10 0.16 0.00 2.34 -0.70 -3.14 118.68 118.11 2kh2 s LEU 29 Ca -0.09 -0.08 -0.32 0.00 0.06 0.00 0.00 54.13 53.70 2kh2 s LEU 29 Cb -0.16 2.04 -0.12 0.00 -0.56 0.00 0.00 46.19 47.39 2kh2 s LEU 29 CO 0.02 -0.81 1.75 1.41 -1.06 0.00 0.00 176.35 177.66 2kh2 n HIS 30 N 0.03 2.62 -3.92 3.48 8.25 -1.26 -0.15 115.22 124.27 2kh2 n HIS 30 Ca -0.17 0.01 -0.30 0.00 -0.26 0.00 0.00 57.72 56.99 2kh2 n HIS 30 Cb 0.62 -2.67 -0.15 0.00 1.12 0.00 0.00 29.99 28.91 2kh2 n HIS 30 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2kh2 s LEU 31 N 1.80 3.08 -0.21 2.41 2.96 -1.26 -4.86 118.68 122.60 2kh2 s LEU 31 Ca 0.79 -1.53 -0.04 0.00 -0.22 0.00 0.00 54.13 53.13 2kh2 s LEU 31 Cb -0.53 -1.23 0.10 0.00 0.50 0.00 0.00 46.19 45.03 2kh2 s LEU 31 CO 0.36 -0.31 0.28 -1.10 -1.32 0.00 0.00 176.35 174.25 2kh2 s GLN 32 N 1.31 0.24 0.00 1.98 -1.52 -1.26 -4.93 119.66 115.48 2kh2 s GLN 32 Ca 0.02 0.37 0.00 0.00 -1.95 0.00 0.00 55.36 53.80 2kh2 s GLN 32 Cb -0.19 -0.85 0.00 0.00 -0.22 0.00 0.00 33.01 31.75 2kh2 s GLN 32 CO -0.11 -0.61 0.00 0.41 -0.25 0.00 0.00 175.29 174.73 2kh2 n GLY 33 N 5.34 0.04 0.03 3.09 0.00 -1.26 -4.89 105.19 107.54 2kh2 n GLY 33 Ca -0.05 -1.23 0.13 0.00 0.00 0.00 0.00 46.02 44.86 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 0.12 -0.48 1.61 -0.06 -1.26 -3.40 117.38 113.91 2kh2 n GLN 34 Ca 0.00 0.05 0.07 0.00 -2.00 0.00 0.00 57.00 55.13 2kh2 n GLN 34 Cb 0.00 -1.59 0.28 0.00 -4.06 0.00 0.00 30.24 24.87 2kh2 n GLN 34 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 2kh2 n ASP 35 N -1.78 3.78 0.33 1.69 3.85 -1.26 -4.29 116.55 118.88 2kh2 n ASP 35 Ca 0.05 -2.33 0.22 0.00 -0.71 0.00 0.00 54.79 52.02 2kh2 n ASP 35 Cb 0.38 -0.50 1.16 0.00 -1.35 0.00 0.00 41.12 40.81 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 -1.01 0.00 0.00 177.20 176.16 2kh2 h MET 36 N 3.21 0.00 0.00 0.11 4.05 -1.91 -1.65 114.93 118.73 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 1.17 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 2kh2 h MET 36 CO 0.18 0.00 0.00 0.39 0.23 0.00 0.00 176.91 177.71 2kh2 n GLU 37 N -3.17 0.82 0.00 0.39 -0.58 -1.26 -2.75 120.64 114.10 2kh2 n GLU 37 Ca -0.03 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.85 2kh2 n GLU 37 Cb 0.09 -1.04 0.54 0.00 -0.57 0.00 0.00 31.44 30.45 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 -0.54 1.43 -2.28 3.49 6.02 -0.62 -4.92 117.38 119.96 2kh2 n GLN 38 Ca 0.02 -0.78 -0.35 0.00 -0.01 0.00 0.00 57.00 55.88 2kh2 n GLN 38 Cb 0.01 -1.48 -0.00 0.00 1.02 0.00 0.00 30.24 29.78 2kh2 n GLN 38 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2kh2 s GLN 39 N -2.11 3.40 -0.00 -1.09 -2.07 -1.11 -4.59 119.66 112.08 2kh2 s GLN 39 Ca 0.36 1.56 -0.15 0.00 -1.82 0.00 0.00 55.36 55.30 2kh2 s GLN 39 Cb 0.21 -2.02 -0.06 0.00 -1.09 0.00 0.00 33.01 30.05 2kh2 s GLN 39 CO 0.38 -0.80 0.43 0.08 -1.32 0.00 0.00 175.29 174.05 2kh2 s VAL 40 N -1.84 5.02 -0.19 3.63 1.01 -0.42 -5.01 120.40 122.60 2kh2 s VAL 40 Ca 0.71 0.88 -0.07 0.00 0.00 0.00 0.00 61.98 63.51 2kh2 s VAL 40 Cb -0.22 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 2kh2 s VAL 40 CO 0.27 0.55 0.04 -0.69 0.00 0.00 0.00 175.10 175.27 2kh2 s VAL 41 N -0.92 4.46 -0.22 2.92 1.01 -1.26 -4.59 120.40 121.80 2kh2 s VAL 41 Ca 0.24 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 2kh2 s VAL 41 Cb -0.17 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2kh2 s VAL 41 CO 0.14 0.44 0.08 -0.36 0.00 0.00 0.00 175.10 175.40 2kh2 s PHE 42 N 0.68 3.19 -0.13 5.22 0.40 0.70 -1.63 117.98 126.41 2kh2 s PHE 42 Ca 0.02 -0.07 -0.25 0.00 -0.60 0.00 0.00 56.93 56.03 2kh2 s PHE 42 Cb -0.14 -2.17 -0.02 0.00 0.51 0.00 0.00 43.02 41.20 2kh2 s PHE 42 CO 0.02 -0.05 0.81 -1.12 0.70 0.00 0.00 175.22 175.58 2kh2 s SER 43 N 0.97 6.99 -0.32 1.36 0.01 0.76 -1.23 113.70 122.24 2kh2 s SER 43 Ca 0.05 1.21 -0.06 0.00 1.31 0.00 0.00 55.95 58.45 2kh2 s SER 43 Cb -0.14 -2.45 0.03 0.00 0.21 0.00 0.00 66.02 63.67 2kh2 s SER 43 CO 0.03 -0.33 0.09 -0.04 0.41 0.00 0.00 173.24 173.40 2kh2 s MET 44 N 1.77 2.78 -0.03 12.44 -1.94 0.13 -2.57 119.30 131.88 2kh2 s MET 44 Ca 0.39 -1.07 -0.05 0.00 -1.71 0.00 0.00 55.69 53.25 2kh2 s MET 44 Cb -0.17 -3.40 -0.04 0.00 2.01 0.00 0.00 34.83 33.22 2kh2 s MET 44 CO 0.15 -0.58 0.21 -1.12 -0.01 0.00 0.00 175.02 173.67 2kh2 s SER 45 N 1.43 6.43 -0.58 3.03 0.01 -1.18 -1.49 113.70 121.34 2kh2 s SER 45 Ca -0.00 0.46 -0.24 0.00 1.31 0.00 0.00 55.95 57.48 2kh2 s SER 45 Cb -0.19 -2.05 0.05 0.00 0.21 0.00 0.00 66.02 64.04 2kh2 s SER 45 CO 0.02 0.29 0.97 -0.36 0.41 0.00 0.00 173.24 174.57 2kh2 s PHE 46 N -1.25 2.74 0.42 2.43 0.08 -0.37 -1.49 117.98 120.54 2kh2 s PHE 46 Ca 0.25 -0.12 -0.10 0.00 0.12 0.00 0.00 56.93 57.08 2kh2 s PHE 46 Cb -0.13 -4.16 -0.06 0.00 -0.57 0.00 0.00 43.02 38.11 2kh2 s PHE 46 CO 0.15 -1.46 0.79 0.14 -0.10 0.00 0.00 175.22 174.74 2kh2 s VAL 47 N 4.08 4.79 -0.80 -0.44 -7.23 -1.14 -4.68 120.40 114.99 2kh2 s VAL 47 Ca 0.29 0.59 -0.26 0.00 -1.81 0.00 0.00 61.98 60.79 2kh2 s VAL 47 Cb -0.13 -3.75 0.02 0.00 0.56 0.00 0.00 36.38 33.08 2kh2 s VAL 47 CO 0.17 -0.59 1.42 -1.58 -0.31 0.00 0.00 175.10 174.21 2kh2 s GLN 48 N -4.02 3.18 0.00 4.82 2.00 -0.94 -4.78 119.66 119.93 2kh2 s GLN 48 Ca 0.51 -0.34 0.00 0.00 -2.00 0.00 0.00 55.36 53.53 2kh2 s GLN 48 Cb -0.10 -4.51 0.00 0.00 0.80 0.00 0.00 33.01 29.19 2kh2 s GLN 48 CO 0.34 -2.29 0.00 0.41 -0.50 0.00 0.00 175.29 173.25 2kh2 n GLY 49 N 5.83 4.30 3.56 2.59 0.00 -1.26 -4.94 105.19 115.27 2kh2 n GLY 49 Ca 0.14 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 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 2.43 -2.42 1.61 4.07 -1.26 -4.91 120.64 120.16 2kh2 n GLU 50 Ca 0.00 -2.88 -0.38 0.00 -0.06 0.00 0.00 57.16 53.84 2kh2 n GLU 50 Cb 0.00 -3.60 -0.03 0.00 -0.06 0.00 0.00 31.44 27.75 2kh2 n GLU 50 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2kh2 s GLU 51 N 5.27 3.22 0.17 5.31 2.02 -1.26 -4.25 118.70 129.18 2kh2 s GLU 51 Ca 0.61 -0.60 0.07 0.00 0.02 0.00 0.00 54.97 55.07 2kh2 s GLU 51 Cb 0.02 -4.93 -0.04 0.00 0.10 0.00 0.00 34.13 29.28 2kh2 s GLU 51 CO 0.10 -2.45 0.00 -1.12 0.02 0.00 0.00 175.26 171.82 2kh2 s SER 52 N 5.49 4.80 0.28 -0.19 0.01 0.53 -4.98 113.70 119.64 2kh2 s SER 52 Ca 0.49 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 57.40 2kh2 s SER 52 Cb -0.04 -1.04 0.65 0.00 0.21 0.00 0.00 66.02 65.80 2kh2 s SER 52 CO 0.01 0.10 1.74 -1.13 0.41 0.00 0.00 173.24 174.36 2kh2 h ASN 53 N 2.76 0.50 -0.34 2.44 -1.24 -1.98 -1.42 115.58 116.30 2kh2 h ASN 53 Ca -0.47 0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.66 2kh2 h ASN 53 Cb 1.20 0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.30 2kh2 h ASN 53 CO 0.58 0.14 0.00 -0.90 -1.29 0.00 0.00 177.43 175.96 2kh2 n ASP 54 N -4.92 2.91 -3.33 1.15 5.75 -1.26 -4.80 116.55 112.06 2kh2 n ASP 54 Ca 0.20 -1.97 -0.18 0.00 -0.01 0.00 0.00 54.79 52.83 2kh2 n ASP 54 Cb 0.55 -0.23 -0.08 0.00 -1.03 0.00 0.00 41.12 40.33 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 -1.00 0.71 -0.20 0.11 2.20 -0.54 -2.47 119.74 118.55 2kh2 s LYS 55 Ca 0.24 -1.09 -0.07 0.00 -0.36 0.00 0.00 55.97 54.69 2kh2 s LYS 55 Cb 0.13 -0.81 -0.03 0.00 -1.51 0.00 0.00 37.83 35.60 2kh2 s LYS 55 CO 0.17 -1.24 0.04 0.42 -0.36 0.00 0.00 175.35 174.38 2kh2 s ILE 56 N 1.16 4.43 -0.22 5.43 -1.09 -0.95 -0.35 121.20 129.62 2kh2 s ILE 56 Ca 0.20 -0.15 -0.28 0.00 -2.23 0.00 0.00 60.65 58.19 2kh2 s ILE 56 Cb -0.12 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 2kh2 s ILE 56 CO -0.04 0.42 0.99 -2.84 -1.23 0.00 0.00 174.94 172.24 2kh2 s PRO 57 N 0.81 4.27 0.15 2.79 0.02 -1.26 0.46 135.00 142.24 2kh2 s PRO 57 Ca 0.03 1.28 0.02 0.00 0.02 0.00 0.00 61.00 62.35 2kh2 s PRO 57 Cb -0.14 -3.63 -0.05 0.00 0.02 0.00 0.00 34.50 30.71 2kh2 s PRO 57 CO 0.02 -0.57 -0.03 0.14 -0.33 0.00 0.00 177.00 176.23 2kh2 s VAL 58 N 2.98 0.77 -0.04 3.83 -7.23 0.74 -2.88 120.40 118.57 2kh2 s VAL 58 Ca 0.43 -1.98 -0.04 0.00 -1.81 0.00 0.00 61.98 58.57 2kh2 s VAL 58 Cb -0.15 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 2kh2 s VAL 58 CO 0.08 -0.61 0.17 0.00 -0.31 0.00 0.00 175.10 174.42 2kh2 s ALA 59 N -3.59 3.93 -0.34 1.32 0.00 -0.56 -0.58 121.76 121.95 2kh2 s ALA 59 Ca 0.20 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.45 2kh2 s ALA 59 Cb 0.05 -1.91 0.09 0.00 0.00 0.00 0.00 23.12 21.35 2kh2 s ALA 59 CO 0.01 0.71 0.05 -0.51 0.00 0.00 0.00 175.76 176.03 2kh2 s LEU 60 N -1.65 4.57 0.17 0.00 1.43 -1.25 -3.09 118.68 118.86 2kh2 s LEU 60 Ca 0.23 -1.91 0.07 0.00 -1.03 0.00 0.00 54.13 51.50 2kh2 s LEU 60 Cb -0.12 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 2kh2 s LEU 60 CO 0.14 -0.37 -0.16 -0.83 0.23 0.00 0.00 176.35 175.36 2kh2 s GLY 61 N 1.19 1.31 0.35 -3.19 0.00 -1.06 -0.73 107.32 105.19 2kh2 s GLY 61 Ca 0.05 -1.49 -0.25 0.00 0.00 0.00 0.00 44.72 43.03 2kh2 s GLY 61 CO -0.06 -1.56 0.97 1.08 0.00 0.00 0.00 173.10 173.53 2kh2 s LEU 62 N -2.84 4.25 0.20 0.66 1.02 0.03 -0.17 118.68 121.84 2kh2 s LEU 62 Ca 0.16 1.88 -0.32 0.00 0.02 0.00 0.00 54.13 55.87 2kh2 s LEU 62 Cb -0.04 -4.11 -0.12 0.00 0.02 0.00 0.00 46.19 41.94 2kh2 s LEU 62 CO 0.05 -0.21 1.71 1.17 0.02 0.00 0.00 176.35 179.10 2kh2 n LYS 63 N 0.28 2.71 -3.87 1.70 4.81 -0.65 -2.41 118.16 120.73 2kh2 n LYS 63 Ca 0.03 0.98 -0.31 0.00 -0.87 0.00 0.00 58.31 58.14 2kh2 n LYS 63 Cb 0.50 -2.82 -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 -0.85 1.17 0.00 0.00 177.40 177.72 2kh2 n GLU 64 N 3.94 -4.02 -3.87 1.64 0.28 -1.26 -4.96 120.64 112.39 2kh2 n GLU 64 Ca 0.16 0.48 -0.09 0.00 -0.16 0.00 0.00 57.16 57.55 2kh2 n GLU 64 Cb 0.34 -5.26 -0.08 0.00 1.43 0.00 0.00 31.44 27.87 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 -6.57 0.76 -0.14 3.44 1.02 -1.01 -5.03 119.74 112.21 2kh2 s LYS 65 Ca 0.62 -0.86 0.12 0.00 0.02 0.00 0.00 55.97 55.88 2kh2 s LYS 65 Cb -0.33 0.31 0.61 0.00 -0.52 0.00 0.00 37.83 37.90 2kh2 s LYS 65 CO 0.77 -0.23 1.46 0.27 -0.92 0.00 0.00 175.35 176.71 2kh2 n ASN 66 N 0.24 4.35 -4.58 2.83 6.94 -1.26 -4.46 115.26 119.31 2kh2 n ASN 66 Ca -0.16 -2.56 -0.42 0.00 -0.02 0.00 0.00 54.58 51.42 2kh2 n ASN 66 Cb 0.61 -0.59 -0.06 0.00 -2.36 0.00 0.00 39.78 37.38 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 -1.89 4.20 0.01 -4.53 1.43 -1.26 -3.16 118.68 113.48 2kh2 s LEU 67 Ca 0.42 0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.88 2kh2 s LEU 67 Cb 0.30 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 2kh2 s LEU 67 CO 0.16 -0.59 -0.26 -0.31 0.23 0.00 0.00 176.35 175.58 2kh2 s TYR 68 N 2.75 2.34 -0.02 0.29 1.51 -0.92 -0.79 117.35 122.51 2kh2 s TYR 68 Ca 0.26 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.61 2kh2 s TYR 68 Cb -0.14 -1.45 -0.05 0.00 -0.11 0.00 0.00 41.96 40.21 2kh2 s TYR 68 CO 0.14 0.05 1.34 -0.51 -1.11 0.00 0.00 175.55 175.47 2kh2 s LEU 69 N -0.94 4.30 0.01 -1.29 1.43 0.09 -0.88 118.68 121.41 2kh2 s LEU 69 Ca 0.11 2.02 0.05 0.00 -1.03 0.00 0.00 54.13 55.28 2kh2 s LEU 69 Cb -0.10 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 2kh2 s LEU 69 CO 0.01 -0.69 -0.15 -0.55 0.23 0.00 0.00 176.35 175.20 2kh2 s SER 70 N 1.79 1.80 -0.26 2.29 0.15 0.57 -4.45 113.70 115.59 2kh2 s SER 70 Ca 0.61 -0.37 -0.05 0.00 0.70 0.00 0.00 55.95 56.85 2kh2 s SER 70 Cb -0.29 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 2kh2 s SER 70 CO 0.25 0.13 0.02 0.00 1.20 0.00 0.00 173.24 174.83 2kh2 s VAL 72 N 1.47 0.71 -0.32 0.00 -7.23 -0.70 -4.77 120.40 109.56 2kh2 s VAL 72 Ca 0.03 -1.99 -0.18 0.00 -1.81 0.00 0.00 61.98 58.03 2kh2 s VAL 72 Cb -0.16 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 2kh2 s VAL 72 CO -0.00 -0.41 0.51 -0.76 -0.31 0.00 0.00 175.10 174.14 2kh2 s LEU 73 N -3.20 4.22 -0.25 1.32 1.43 -1.26 0.45 118.68 121.39 2kh2 s LEU 73 Ca 0.26 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 2kh2 s LEU 73 Cb 0.06 -2.61 0.05 0.00 0.03 0.00 0.00 46.19 43.72 2kh2 s LEU 73 CO 0.06 -0.41 -0.12 -0.54 0.23 0.00 0.00 176.35 175.57 2kh2 s LYS 74 N 2.37 2.28 -1.03 1.70 1.02 0.37 -4.71 119.74 121.74 2kh2 s LYS 74 Ca 0.20 -1.25 -0.01 0.00 0.02 0.00 0.00 55.97 54.92 2kh2 s LYS 74 Cb -0.15 -2.82 -0.01 0.00 -0.52 0.00 0.00 37.83 34.32 2kh2 s LYS 74 CO 0.12 -0.52 0.87 -3.47 -0.92 0.00 0.00 175.35 171.42 2kh2 n ASP 75 N 4.47 -3.02 -1.77 2.83 4.64 -1.26 -2.79 116.55 119.66 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 0.43 -4.62 -0.07 0.00 -1.04 0.00 0.00 41.12 35.82 2kh2 n ASP 75 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2kh2 n ASP 76 N -2.92 -5.56 -3.79 1.67 9.92 -1.26 -4.98 116.55 109.62 2kh2 n ASP 76 Ca -0.21 0.37 -0.13 0.00 -0.53 0.00 0.00 54.79 54.29 2kh2 n ASP 76 Cb 0.64 -4.79 -0.14 0.00 -0.64 0.00 0.00 41.12 36.18 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2kh2 s LYS 77 N -4.07 0.05 -0.07 -1.24 2.47 -1.12 -5.11 119.74 110.65 2kh2 s LYS 77 Ca 0.00 0.21 -0.29 0.00 -1.56 0.00 0.00 55.97 54.32 2kh2 s LYS 77 Cb 0.00 -0.12 -0.07 0.00 -1.46 0.00 0.00 37.83 36.19 2kh2 s LYS 77 CO 0.00 -0.11 1.92 -2.14 0.16 0.00 0.00 175.35 175.18 2kh2 s PRO 78 N 0.70 3.90 -0.02 4.03 0.02 -1.26 -0.48 135.00 141.89 2kh2 s PRO 78 Ca -0.06 2.29 0.07 0.00 0.02 0.00 0.00 61.00 63.33 2kh2 s PRO 78 Cb -0.08 -4.16 -0.02 0.00 0.02 0.00 0.00 34.50 30.27 2kh2 s PRO 78 CO -0.03 -1.22 -0.23 0.99 -0.33 0.00 0.00 177.00 176.19 2kh2 s THR 79 N 5.27 1.82 0.06 0.99 2.01 0.17 -4.69 115.64 121.26 2kh2 s THR 79 Ca 0.86 -0.98 -0.19 0.00 0.31 0.00 0.00 61.69 61.69 2kh2 s THR 79 Cb -0.37 -1.52 -0.06 0.00 0.01 0.00 0.00 72.50 70.56 2kh2 s THR 79 CO 0.37 0.52 0.56 -0.22 -0.69 0.00 0.00 174.62 175.15 2kh2 s LEU 80 N -0.49 4.51 0.29 4.42 2.96 -1.26 -1.73 118.68 127.39 2kh2 s LEU 80 Ca 0.07 1.22 -0.13 0.00 -0.22 0.00 0.00 54.13 55.08 2kh2 s LEU 80 Cb -0.09 -2.87 0.01 0.00 0.50 0.00 0.00 46.19 43.73 2kh2 s LEU 80 CO -0.00 0.26 0.57 0.00 -1.32 0.00 0.00 176.35 175.85 2kh2 s GLN 81 N -0.98 1.77 -0.22 1.98 -2.07 -0.11 -4.96 119.66 115.07 2kh2 s GLN 81 Ca 0.29 -1.33 -0.05 0.00 -1.82 0.00 0.00 55.36 52.45 2kh2 s GLN 81 Cb -0.19 0.52 -0.02 0.00 -1.09 0.00 0.00 33.01 32.23 2kh2 s GLN 81 CO 0.18 -0.77 0.00 -0.51 -1.32 0.00 0.00 175.29 172.87 2kh2 s LEU 82 N -3.05 3.14 -0.23 2.60 2.01 -1.26 -0.32 118.68 121.57 2kh2 s LEU 82 Ca 0.21 -0.29 -0.08 0.00 0.01 0.00 0.00 54.13 53.97 2kh2 s LEU 82 Cb -0.02 -1.81 -0.04 0.00 0.01 0.00 0.00 46.19 44.33 2kh2 s LEU 82 CO 0.11 -0.01 0.09 -1.61 1.01 0.00 0.00 176.35 175.95 2kh2 s GLU 83 N 1.41 3.83 -1.23 1.70 2.02 -0.06 -4.88 118.70 121.49 2kh2 s GLU 83 Ca 0.05 -0.40 -0.12 0.00 0.02 0.00 0.00 54.97 54.53 2kh2 s GLU 83 Cb -0.15 -3.36 0.18 0.00 0.10 0.00 0.00 34.13 30.91 2kh2 s GLU 83 CO 0.00 -0.03 1.57 -1.13 0.02 0.00 0.00 175.26 175.70 2kh2 n SER 84 N 4.47 5.24 -4.86 -0.19 3.41 -1.26 -2.16 113.62 118.27 2kh2 n SER 84 Ca -0.16 -3.04 -0.30 0.00 -0.26 0.00 0.00 58.87 55.11 2kh2 n SER 84 Cb 0.52 -1.52 0.08 0.00 -0.26 0.00 0.00 64.21 63.03 2kh2 n SER 84 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2kh2 s VAL 85 N 0.84 2.75 -0.34 -3.33 -7.23 -1.19 -4.92 120.40 106.98 2kh2 s VAL 85 Ca 0.41 0.24 -0.38 0.00 -1.81 0.00 0.00 61.98 60.44 2kh2 s VAL 85 Cb 0.01 -3.17 -0.14 0.00 0.56 0.00 0.00 36.38 33.65 2kh2 s VAL 85 CO 0.00 -0.32 2.05 -0.67 -0.31 0.00 0.00 175.10 175.85 2kh2 n ASP 86 N -3.27 2.06 0.29 4.85 4.64 -1.26 -4.84 116.55 119.02 2kh2 n ASP 86 Ca 0.07 0.66 0.19 0.00 -1.38 0.00 0.00 54.79 54.33 2kh2 n ASP 86 Cb 0.59 -1.18 0.93 0.00 -1.04 0.00 0.00 41.12 40.41 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 10.34 0.00 0.00 -0.67 0.13 -1.91 -2.07 132.00 137.83 2kh2 h PRO 87 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2kh2 h PRO 87 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2kh2 h PRO 87 CO 1.01 0.00 -0.89 0.36 -0.23 0.00 0.00 178.00 178.25 2kh2 n LYS 88 N -2.96 0.23 -0.18 0.86 2.85 -1.26 -3.97 118.16 113.74 2kh2 n LYS 88 Ca -0.01 0.01 0.08 0.00 -1.05 0.00 0.00 58.31 57.34 2kh2 n LYS 88 Cb 0.16 -1.59 0.18 0.00 -0.65 0.00 0.00 35.03 33.13 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 -1.89 3.06 -4.08 -5.58 3.02 -0.80 -4.97 115.26 104.03 2kh2 n ASN 89 Ca 0.03 -1.90 -0.17 0.00 -0.03 0.00 0.00 54.58 52.51 2kh2 n ASN 89 Cb 0.42 -0.23 -0.13 0.00 -0.61 0.00 0.00 39.78 39.23 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 -1.14 0.89 0.53 3.10 1.51 -1.08 -4.53 117.35 116.63 2kh2 s TYR 90 Ca 0.30 -0.36 -0.03 0.00 -1.01 0.00 0.00 57.07 55.97 2kh2 s TYR 90 Cb 0.17 -0.53 0.11 0.00 -0.11 0.00 0.00 41.96 41.60 2kh2 s TYR 90 CO 0.23 -0.01 0.73 -0.35 -1.11 0.00 0.00 175.55 175.03 2kh2 n PRO 91 N 1.92 -0.14 -3.96 -1.71 -0.04 -1.26 -4.87 135.00 124.92 2kh2 n PRO 91 Ca -0.19 -1.69 -0.10 0.00 -0.04 0.00 0.00 63.50 61.49 2kh2 n PRO 91 Cb 0.55 -0.57 -0.07 0.00 -0.04 0.00 0.00 33.50 33.37 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 -4.40 1.18 0.04 0.54 -2.85 -1.26 -5.07 119.74 107.91 2kh2 s LYS 92 Ca 0.46 -1.18 -0.24 0.00 -1.00 0.00 0.00 55.97 54.00 2kh2 s LYS 92 Cb -0.02 0.38 -0.17 0.00 -2.06 0.00 0.00 37.83 35.95 2kh2 s LYS 92 CO 0.31 -0.43 1.52 -0.22 0.10 0.00 0.00 175.35 176.63 2kh2 h LYS 93 N 2.53 -0.01 -3.98 1.78 1.63 -1.98 -3.37 116.57 113.16 2kh2 h LYS 93 Ca -0.31 0.00 -0.75 0.00 -0.85 0.00 0.00 60.65 58.74 2kh2 h LYS 93 Cb 1.23 0.00 -0.29 0.00 -0.60 0.00 0.00 32.23 32.58 2kh2 h LYS 93 CO 0.48 0.21 -0.21 0.21 -3.45 0.00 0.00 179.45 176.69 2kh2 s LYS 94 N -5.31 2.93 0.73 1.90 2.47 -1.26 -2.20 119.74 119.00 2kh2 s LYS 94 Ca -0.14 -2.13 -0.04 0.00 -1.56 0.00 0.00 55.97 52.10 2kh2 s LYS 94 Cb 0.04 -4.11 0.11 0.00 -1.46 0.00 0.00 37.83 32.42 2kh2 s LYS 94 CO 0.66 -1.24 1.02 -1.64 0.16 0.00 0.00 175.35 174.31 2kh2 s MET 95 N 0.74 1.73 0.44 4.03 -1.94 -1.26 -5.05 119.30 117.99 2kh2 s MET 95 Ca 0.11 -0.79 -0.24 0.00 -1.71 0.00 0.00 55.69 53.06 2kh2 s MET 95 Cb -0.21 -2.24 -0.08 0.00 2.01 0.00 0.00 34.83 34.31 2kh2 s MET 95 CO -0.03 -1.46 1.18 -1.21 -0.01 0.00 0.00 175.02 173.49 2kh2 s GLU 96 N -5.23 3.86 0.60 2.03 8.01 -1.26 -4.90 118.70 121.81 2kh2 s GLU 96 Ca 0.65 1.84 0.33 0.00 0.01 0.00 0.00 54.97 57.81 2kh2 s GLU 96 Cb -0.07 -2.53 1.95 0.00 -4.31 0.00 0.00 34.13 29.17 2kh2 s GLU 96 CO 0.45 -0.48 2.27 -0.22 0.01 0.00 0.00 175.26 177.29 2kh2 h LYS 97 N 2.30 0.00 0.00 1.61 3.64 -1.96 0.76 116.57 122.91 2kh2 h LYS 97 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2kh2 h LYS 97 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2kh2 h LYS 97 CO 0.61 0.01 0.00 2.89 -2.27 0.00 0.00 179.45 180.69 2kh2 n ARG 98 N -3.63 0.14 -0.03 1.90 1.85 -1.26 -2.59 116.66 113.04 2kh2 n ARG 98 Ca -0.03 0.24 0.06 0.00 -1.00 0.00 0.00 57.85 57.12 2kh2 n ARG 98 Cb 0.09 -1.71 0.07 0.00 -1.05 0.00 0.00 32.46 29.86 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 -1.96 0.08 -3.64 2.89 3.72 0.23 -1.44 117.46 117.34 2kh2 n PHE 99 Ca 0.04 -0.08 -0.36 0.00 -0.05 0.00 0.00 57.45 57.00 2kh2 n PHE 99 Cb 0.30 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.75 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 -0.98 5.35 0.12 -4.37 1.01 -1.05 -3.88 120.40 116.59 2kh2 s VAL 100 Ca 0.15 0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.48 2kh2 s VAL 100 Cb 0.10 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2kh2 s VAL 100 CO 0.15 0.36 -0.20 -0.36 0.00 0.00 0.00 175.10 175.04 2kh2 s PHE 101 N 0.93 2.49 -0.34 5.22 0.40 0.25 -1.92 117.98 125.00 2kh2 s PHE 101 Ca 0.09 -0.29 -0.11 0.00 -0.60 0.00 0.00 56.93 56.02 2kh2 s PHE 101 Cb -0.13 -1.33 -0.00 0.00 0.51 0.00 0.00 43.02 42.06 2kh2 s PHE 101 CO 0.04 0.37 0.20 -0.80 0.70 0.00 0.00 175.22 175.73 2kh2 s ASN 102 N -2.08 5.80 -0.89 1.36 0.02 0.22 -0.19 114.94 119.19 2kh2 s ASN 102 Ca 0.17 -0.59 -0.25 0.00 -1.02 0.00 0.00 52.86 51.17 2kh2 s ASN 102 Cb -0.10 -2.07 0.04 0.00 0.02 0.00 0.00 41.25 39.14 2kh2 s ASN 102 CO 0.09 -0.26 1.37 -0.75 0.02 0.00 0.00 177.10 177.57 2kh2 s LYS 103 N 1.65 3.40 0.10 -0.60 2.20 0.17 -1.15 119.74 125.52 2kh2 s LYS 103 Ca 0.05 -0.71 -0.12 0.00 -0.36 0.00 0.00 55.97 54.83 2kh2 s LYS 103 Cb -0.18 -4.80 -0.06 0.00 -1.51 0.00 0.00 37.83 31.28 2kh2 s LYS 103 CO 0.08 -2.18 0.46 0.42 -0.36 0.00 0.00 175.35 173.78 2kh2 s ILE 104 N 5.32 4.99 -0.35 5.43 1.01 0.92 -2.25 121.20 136.27 2kh2 s ILE 104 Ca 0.41 0.63 -0.00 0.00 0.00 0.00 0.00 60.65 61.68 2kh2 s ILE 104 Cb -0.04 -3.69 0.14 0.00 0.01 0.00 0.00 42.46 38.88 2kh2 s ILE 104 CO 0.02 0.28 0.21 -1.83 0.00 0.00 0.00 174.94 173.62 2kh2 s GLU 105 N -1.89 0.55 0.21 2.79 -1.05 -1.03 0.11 118.70 118.38 2kh2 s GLU 105 Ca 0.35 -1.30 -0.09 0.00 -0.15 0.00 0.00 54.97 53.77 2kh2 s GLU 105 Cb -0.14 -1.31 0.16 0.00 -0.44 0.00 0.00 34.13 32.39 2kh2 s GLU 105 CO 0.18 -1.20 1.83 -0.84 0.95 0.00 0.00 175.26 176.18 2kh2 h ILE 106 N 5.09 1.23 0.00 1.83 3.07 -1.89 -3.47 117.51 123.38 2kh2 h ILE 106 Ca 0.05 -0.57 0.00 0.00 1.55 0.00 0.00 64.86 65.89 2kh2 h ILE 106 Cb 0.97 0.20 0.00 0.00 -0.27 0.00 0.00 36.82 37.72 2kh2 h ILE 106 CO 0.28 0.26 0.00 -0.46 -1.05 0.00 0.00 178.15 177.17 2kh2 n ASN 107 N -4.44 0.00 0.01 2.16 0.23 -1.26 -5.00 115.26 106.96 2kh2 n ASN 107 Ca 0.07 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.23 2kh2 n ASN 107 Cb 0.09 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.66 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 0.20 -4.86 0.53 2.85 -1.26 -4.91 115.26 107.81 2kh2 n ASN 108 Ca 0.00 0.03 -0.37 0.00 -0.11 0.00 0.00 54.58 54.13 2kh2 n ASN 108 Cb 0.00 1.65 -0.06 0.00 1.24 0.00 0.00 39.78 42.62 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 -3.47 3.68 -0.11 1.20 -0.14 -1.26 -4.92 119.74 114.71 2kh2 s LYS 109 Ca -0.06 0.12 -0.00 0.00 -1.36 0.00 0.00 55.97 54.67 2kh2 s LYS 109 Cb 0.13 -3.17 -0.02 0.00 -1.68 0.00 0.00 37.83 33.09 2kh2 s LYS 109 CO 0.88 0.70 -0.10 -0.51 -0.76 0.00 0.00 175.35 175.57 2kh2 s LEU 110 N -1.25 2.92 0.11 3.17 1.02 -0.08 -3.57 118.68 121.00 2kh2 s LEU 110 Ca 0.22 -0.21 0.08 0.00 0.02 0.00 0.00 54.13 54.24 2kh2 s LEU 110 Cb -0.14 -1.65 -0.04 0.00 0.02 0.00 0.00 46.19 44.37 2kh2 s LEU 110 CO 0.11 0.23 -0.12 -1.61 0.02 0.00 0.00 176.35 174.98 2kh2 s GLU 111 N -0.03 2.02 -0.31 1.70 2.02 0.12 0.03 118.70 124.24 2kh2 s GLU 111 Ca -0.02 -1.09 -0.02 0.00 0.02 0.00 0.00 54.97 53.86 2kh2 s GLU 111 Cb -0.14 -2.24 0.06 0.00 0.10 0.00 0.00 34.13 31.91 2kh2 s GLU 111 CO 0.03 0.49 0.03 -0.06 0.02 0.00 0.00 175.26 175.77 2kh2 s PHE 112 N -1.23 3.31 0.05 1.61 0.08 -1.26 -0.06 117.98 120.48 2kh2 s PHE 112 Ca 0.21 -1.94 -0.13 0.00 0.12 0.00 0.00 56.93 55.19 2kh2 s PHE 112 Cb -0.11 -2.25 -0.06 0.00 -0.57 0.00 0.00 43.02 40.03 2kh2 s PHE 112 CO 0.13 -0.82 0.42 -2.00 -0.10 0.00 0.00 175.22 172.84 2kh2 s GLU 113 N 1.24 3.86 -0.00 0.44 2.12 -0.30 -1.96 118.70 124.09 2kh2 s GLU 113 Ca -0.03 0.33 -0.30 0.00 0.36 0.00 0.00 54.97 55.32 2kh2 s GLU 113 Cb -0.20 -3.10 -0.03 0.00 0.26 0.00 0.00 34.13 31.05 2kh2 s GLU 113 CO -0.01 0.62 1.00 0.45 -0.54 0.00 0.00 175.26 176.78 2kh2 s SER 114 N -1.41 7.34 0.18 -1.70 0.15 -0.11 0.70 113.70 118.85 2kh2 s SER 114 Ca 0.29 1.68 -0.05 0.00 0.70 0.00 0.00 55.95 58.56 2kh2 s SER 114 Cb -0.15 -2.57 0.09 0.00 -1.71 0.00 0.00 66.02 61.68 2kh2 s SER 114 CO 0.16 -0.29 1.53 0.00 1.20 0.00 0.00 173.24 175.83 2kh2 h ALA 115 N 6.83 0.71 -0.66 5.45 0.00 -1.59 -2.99 119.26 127.01 2kh2 h ALA 115 Ca -0.40 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 53.98 2kh2 h ALA 115 Cb 1.21 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2kh2 h ALA 115 CO 0.76 0.67 0.15 0.37 0.00 0.00 0.00 179.25 181.20 2kh2 h GLN 116 N 0.58 1.04 -3.56 0.00 5.75 -1.75 -3.39 115.11 113.77 2kh2 h GLN 116 Ca 0.04 -0.24 -0.60 0.00 -0.15 0.00 0.00 58.65 57.70 2kh2 h GLN 116 Cb 0.98 -0.14 -0.40 0.00 1.07 0.00 0.00 27.48 28.99 2kh2 h GLN 116 CO 0.09 0.93 -0.75 -0.06 -2.65 0.00 0.00 178.83 176.39 2kh2 s PHE 117 N -5.27 2.08 0.64 3.99 0.08 -1.14 -5.07 117.98 113.29 2kh2 s PHE 117 Ca -0.11 -2.10 -0.18 0.00 0.12 0.00 0.00 56.93 54.66 2kh2 s PHE 117 Cb 0.15 -1.94 -0.01 0.00 -0.57 0.00 0.00 43.02 40.65 2kh2 s PHE 117 CO 0.83 -0.86 1.24 -2.14 -0.10 0.00 0.00 175.22 174.19 2kh2 s PRO 118 N 1.18 2.66 0.00 0.24 0.02 -1.18 -2.56 135.00 135.37 2kh2 s PRO 118 Ca 0.12 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.04 2kh2 s PRO 118 Cb -0.19 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.45 2kh2 s PRO 118 CO -0.16 -1.47 0.00 0.09 -0.33 0.00 0.00 177.00 175.13 2kh2 n ASN 119 N -1.91 0.00 -4.28 2.53 5.03 -1.26 -4.96 115.26 110.40 2kh2 n ASN 119 Ca 0.14 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.21 2kh2 n ASN 119 Cb 0.49 -0.87 -0.12 0.00 -1.02 0.00 0.00 39.78 38.26 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 -2.95 3.26 0.19 3.10 0.52 -1.06 -4.22 118.94 117.78 2kh2 s TRP 120 Ca 0.00 -1.39 0.08 0.00 0.02 0.00 0.00 56.10 54.81 2kh2 s TRP 120 Cb 0.00 -2.35 -0.04 0.00 -1.15 0.00 0.00 33.47 29.93 2kh2 s TRP 120 CO 0.00 -0.73 -0.04 0.71 0.02 0.00 0.00 176.95 176.91 2kh2 s TYR 121 N 1.42 2.74 -0.03 -1.98 1.51 0.45 -0.93 117.35 120.52 2kh2 s TYR 121 Ca -0.01 -0.18 -0.30 0.00 -1.01 0.00 0.00 57.07 55.57 2kh2 s TYR 121 Cb -0.20 -1.31 -0.06 0.00 -0.11 0.00 0.00 41.96 40.28 2kh2 s TYR 121 CO 0.03 0.53 1.71 0.42 -1.11 0.00 0.00 175.55 177.13 2kh2 s ILE 122 N -1.83 3.46 0.16 2.71 1.01 -0.83 -0.27 121.20 125.61 2kh2 s ILE 122 Ca 0.27 0.58 0.11 0.00 0.00 0.00 0.00 60.65 61.61 2kh2 s ILE 122 Cb -0.09 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 2kh2 s ILE 122 CO 0.18 -0.05 -0.22 -0.44 0.00 0.00 0.00 174.94 174.41 2kh2 s SER 123 N 3.47 3.60 0.03 3.58 0.01 0.22 -4.40 113.70 120.21 2kh2 s SER 123 Ca 0.76 -0.75 0.06 0.00 1.31 0.00 0.00 55.95 57.33 2kh2 s SER 123 Cb -0.35 -0.36 -0.02 0.00 0.21 0.00 0.00 66.02 65.50 2kh2 s SER 123 CO 0.32 0.14 -0.16 0.42 0.41 0.00 0.00 173.24 174.36 2kh2 s THR 124 N -1.45 1.31 0.55 1.44 -4.23 0.16 -2.73 115.64 110.69 2kh2 s THR 124 Ca 0.19 -0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.65 2kh2 s THR 124 Cb -0.09 -1.15 -0.02 0.00 1.34 0.00 0.00 72.50 72.58 2kh2 s THR 124 CO 0.10 0.14 0.87 -0.44 -0.54 0.00 0.00 174.62 174.75 2kh2 s SER 125 N -0.98 5.98 0.36 3.99 0.01 -1.26 -0.18 113.70 121.61 2kh2 s SER 125 Ca 0.04 0.91 0.18 0.00 1.31 0.00 0.00 55.95 58.39 2kh2 s SER 125 Cb -0.08 -2.06 0.59 0.00 0.21 0.00 0.00 66.02 64.68 2kh2 s SER 125 CO 0.01 -0.82 1.69 1.56 0.41 0.00 0.00 173.24 176.09 2kh2 h GLN 126 N -0.02 0.00 -7.14 12.44 1.08 -1.98 -3.45 115.11 116.04 2kh2 h GLN 126 Ca -0.46 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.24 2kh2 h GLN 126 Cb 1.22 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 28.73 2kh2 h GLN 126 CO 0.61 0.41 0.40 0.00 -0.95 0.00 0.00 178.83 179.30 2kh2 s ALA 127 N -3.53 2.65 0.29 3.87 0.00 -1.26 -5.03 121.76 118.74 2kh2 s ALA 127 Ca 0.00 0.65 -0.16 0.00 0.00 0.00 0.00 51.96 52.45 2kh2 s ALA 127 Cb 0.11 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 2kh2 s ALA 127 CO 0.70 -0.89 0.71 -2.00 0.00 0.00 0.00 175.76 174.28 2kh2 s GLU 128 N -3.66 4.04 -1.19 0.00 2.56 -1.26 -4.03 118.70 115.16 2kh2 s GLU 128 Ca 0.69 0.68 0.00 0.00 0.00 0.00 0.00 54.97 56.34 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 0.32 0.23 0.00 -1.71 -0.56 0.00 0.00 175.26 173.54 2kh2 n ASN 129 N -0.07 -4.24 -4.89 -1.70 5.15 -1.19 -5.01 115.26 103.31 2kh2 n ASN 129 Ca 0.02 0.03 -0.35 0.00 -0.60 0.00 0.00 54.58 53.67 2kh2 n ASN 129 Cb 0.53 -3.36 -0.05 0.00 -0.53 0.00 0.00 39.78 36.36 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 -4.50 3.48 1.02 1.20 -1.94 -1.22 -4.88 119.30 112.45 2kh2 s MET 130 Ca 0.00 -0.19 -0.14 0.00 -1.71 0.00 0.00 55.69 53.65 2kh2 s MET 130 Cb 0.00 -3.13 0.20 0.00 2.01 0.00 0.00 34.83 33.91 2kh2 s MET 130 CO 0.00 0.71 1.12 -1.25 -0.01 0.00 0.00 175.02 175.58 2kh2 s PRO 131 N -1.57 0.26 -0.11 2.03 0.04 -1.26 -0.40 135.00 133.99 2kh2 s PRO 131 Ca 0.23 0.30 -0.06 0.00 0.04 0.00 0.00 61.00 61.51 2kh2 s PRO 131 Cb -0.13 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 2kh2 s PRO 131 CO 0.13 -2.80 0.10 0.08 0.04 0.00 0.00 177.00 174.55 2kh2 s VAL 132 N -3.09 5.17 0.34 -0.36 1.01 -0.74 -4.58 120.40 118.15 2kh2 s VAL 132 Ca 0.66 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.73 2kh2 s VAL 132 Cb -0.15 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 2kh2 s VAL 132 CO 0.56 0.61 0.40 0.72 0.00 0.00 0.00 175.10 177.40 2kh2 s PHE 133 N -0.98 1.30 -0.18 5.22 -0.12 -1.10 -4.89 117.98 117.23 2kh2 s PHE 133 Ca 0.14 -1.42 -0.14 0.00 -0.05 0.00 0.00 56.93 55.47 2kh2 s PHE 133 Cb -0.12 -0.31 -0.05 0.00 -0.63 0.00 0.00 43.02 41.92 2kh2 s PHE 133 CO 0.03 -1.04 0.29 -1.17 -0.05 0.00 0.00 175.22 173.28 2kh2 s LEU 134 N -3.28 4.21 0.05 -1.99 2.96 -1.26 -0.61 118.68 118.74 2kh2 s LEU 134 Ca 0.34 0.44 0.09 0.00 -0.22 0.00 0.00 54.13 54.78 2kh2 s LEU 134 Cb 0.01 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 2kh2 s LEU 134 CO 0.23 0.06 -0.24 -0.83 -1.32 0.00 0.00 176.35 174.25 2kh2 s GLY 135 N 0.66 1.30 0.00 7.98 0.00 0.62 -4.87 107.32 113.01 2kh2 s GLY 135 Ca 0.15 -1.20 0.12 0.00 0.00 0.00 0.00 44.72 43.80 2kh2 s GLY 135 CO 0.04 -1.10 1.10 0.61 0.00 0.00 0.00 173.10 173.76 2kh2 n GLY 136 N 1.78 1.42 2.99 0.20 0.00 -1.26 -0.41 105.19 109.92 2kh2 n GLY 136 Ca -0.17 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 2kh2 n GLY 136 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kh2 n THR 137 N 0.65 4.60 -2.12 2.61 -1.04 -1.26 -4.88 114.28 112.83 2kh2 n THR 137 Ca 0.10 -5.67 -0.42 0.00 -2.04 0.00 0.00 64.05 56.02 2kh2 n THR 137 Cb 0.38 -2.20 -0.03 0.00 -1.82 0.00 0.00 70.33 66.67 2kh2 n THR 137 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kh2 s LYS 138 N -2.37 4.24 0.00 -2.82 2.20 -1.26 -2.18 119.74 117.56 2kh2 s LYS 138 Ca 0.32 2.08 0.00 0.00 -0.36 0.00 0.00 55.97 58.01 2kh2 s LYS 138 Cb 0.02 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 2kh2 s LYS 138 CO 0.04 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 2kh2 n GLY 139 N 3.81 0.74 0.00 5.54 0.00 -1.26 -5.04 105.19 108.99 2kh2 n GLY 139 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2kh2 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 140 N -2.50 0.68 0.14 -0.02 0.00 -0.93 -5.03 105.19 97.53 2kh2 n GLY 140 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2kh2 n GLY 140 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kh2 n GLN 141 N 0.00 0.59 -2.26 1.61 3.00 -1.26 -4.98 117.38 114.08 2kh2 n GLN 141 Ca 0.00 0.30 -0.36 0.00 -0.01 0.00 0.00 57.00 56.93 2kh2 n GLN 141 Cb 0.00 -1.52 -0.00 0.00 0.00 0.00 0.00 30.24 28.71 2kh2 n GLN 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2kh2 s ASP 142 N -7.40 5.95 -0.01 1.08 1.01 -1.26 -4.76 116.67 111.29 2kh2 s ASP 142 Ca -0.38 2.24 -0.27 0.00 0.71 0.00 0.00 52.55 54.86 2kh2 s ASP 142 Cb 0.14 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 2kh2 s ASP 142 CO 0.51 -1.06 0.85 -0.63 0.21 0.00 0.00 175.17 175.04 2kh2 s ILE 143 N -1.65 4.88 -0.08 0.77 1.01 0.75 -4.69 121.20 122.19 2kh2 s ILE 143 Ca 0.68 1.78 0.08 0.00 0.00 0.00 0.00 60.65 63.19 2kh2 s ILE 143 Cb -0.26 -4.19 -0.12 0.00 0.01 0.00 0.00 42.46 37.89 2kh2 s ILE 143 CO 0.31 0.24 0.22 0.35 0.00 0.00 0.00 174.94 176.05 2kh2 n THR 144 N 3.60 0.00 -3.49 2.92 -2.24 -1.26 -0.66 114.28 113.14 2kh2 n THR 144 Ca 0.02 -0.21 -0.33 0.00 -2.27 0.00 0.00 64.05 61.25 2kh2 n THR 144 Cb 0.51 0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 69.12 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 -2.76 6.64 0.27 3.42 -4.77 -1.26 -4.23 116.67 113.97 2kh2 s ASP 145 Ca -0.02 0.86 0.05 0.00 -3.30 0.00 0.00 52.55 50.14 2kh2 s ASP 145 Cb 0.06 -2.20 -0.02 0.00 -1.09 0.00 0.00 42.92 39.67 2kh2 s ASP 145 CO 0.35 0.04 0.25 0.49 0.70 0.00 0.00 175.17 177.00 2kh2 n PHE 146 N 0.30 -0.75 -4.40 2.11 3.72 0.11 -3.93 117.46 114.62 2kh2 n PHE 146 Ca -0.03 -2.17 -0.25 0.00 -0.05 0.00 0.00 57.45 54.95 2kh2 n PHE 146 Cb 0.52 0.27 -0.10 0.00 -0.94 0.00 0.00 39.48 39.23 2kh2 n PHE 146 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2kh2 s THR 147 N -3.01 2.69 -0.67 4.37 -4.23 -0.12 -0.91 115.64 113.75 2kh2 s THR 147 Ca 0.30 -2.11 0.04 0.00 -1.18 0.00 0.00 61.69 58.75 2kh2 s THR 147 Cb 0.01 -2.37 0.29 0.00 1.34 0.00 0.00 72.50 71.77 2kh2 s THR 147 CO 0.21 -0.27 0.93 0.80 -0.54 0.00 0.00 174.62 175.76 2kh2 n MET 148 N -0.29 3.09 -2.19 3.99 1.56 -1.26 -3.78 117.12 118.24 2kh2 n MET 148 Ca -0.08 -4.74 -0.43 0.00 -0.27 0.00 0.00 57.70 52.19 2kh2 n MET 148 Cb 0.58 -2.28 -0.02 0.00 2.15 0.00 0.00 33.22 33.64 2kh2 n MET 148 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2kh2 s GLN 149 N -2.95 4.21 0.09 2.12 1.11 -0.94 -4.84 119.66 118.46 2kh2 s GLN 149 Ca 0.42 1.96 -0.21 0.00 0.01 0.00 0.00 55.36 57.54 2kh2 s GLN 149 Cb 0.19 -3.88 -0.07 0.00 -1.01 0.00 0.00 33.01 28.24 2kh2 s GLN 149 CO -0.05 -0.78 0.63 -0.06 0.01 0.00 0.00 175.29 175.05 2kh2 s PHE 150 N 3.75 3.82 0.55 0.91 0.08 -1.26 0.30 117.98 126.12 2kh2 s PHE 150 Ca 0.65 1.37 0.04 0.00 0.12 0.00 0.00 56.93 59.11 2kh2 s PHE 150 Cb -0.28 -2.60 0.04 0.00 -0.57 0.00 0.00 43.02 39.61 2kh2 s PHE 150 CO 0.23 0.53 0.34 0.14 -0.10 0.00 0.00 175.22 176.36 2kh2 s VAL 151 N -0.96 1.48 -1.30 -0.44 -7.23 -0.95 -4.94 120.40 106.05 2kh2 s VAL 151 Ca 0.31 -1.58 -0.12 0.00 -1.81 0.00 0.00 61.98 58.79 2kh2 s VAL 151 Cb -0.20 -2.06 0.14 0.00 0.56 0.00 0.00 36.38 34.81 2kh2 s VAL 151 CO 0.21 0.00 1.85 -1.20 -0.31 0.00 0.00 175.10 175.64 2kh2 n SER 152 N -1.71 4.87 0.00 4.85 7.64 -1.26 -4.79 113.62 123.21 2kh2 n SER 152 Ca -0.05 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 56.81 2kh2 n SER 152 Cb 0.65 -1.55 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