#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 0.48 -4.50 0.00 0.11 -2.06 -3.40 132.00 122.63 2kh2 h PRO 2 Ca 0.00 -0.25 -0.72 0.00 0.11 0.00 0.00 66.00 65.14 2kh2 h PRO 2 Cb 0.00 0.01 -0.21 0.00 0.11 0.00 0.00 31.00 30.91 2kh2 h PRO 2 CO 0.00 0.82 -0.27 0.54 -0.21 0.00 0.00 178.00 178.88 2kh2 s VAL 3 N -4.36 5.16 0.22 3.15 0.11 -1.26 -5.06 120.40 118.36 2kh2 s VAL 3 Ca -0.13 -0.83 -0.29 0.00 -2.93 0.00 0.00 61.98 57.80 2kh2 s VAL 3 Cb 0.07 -4.12 -0.09 0.00 -1.53 0.00 0.00 36.38 30.71 2kh2 s VAL 3 CO 0.78 -0.56 0.89 -0.13 -3.33 0.00 0.00 175.10 172.75 2kh2 s ARG 4 N 1.87 4.78 -0.04 1.54 0.52 -1.26 -4.96 118.95 121.39 2kh2 s ARG 4 Ca 0.07 1.40 -0.25 0.00 -0.52 0.00 0.00 55.73 56.42 2kh2 s ARG 4 Cb -0.22 -3.28 0.05 0.00 0.52 0.00 0.00 34.95 32.03 2kh2 s ARG 4 CO 0.09 0.53 0.55 -1.12 0.02 0.00 0.00 175.30 175.37 2kh2 s SER 5 N -1.15 -0.50 0.23 0.23 0.01 -1.26 -0.65 113.70 110.61 2kh2 s SER 5 Ca 0.40 0.52 -0.01 0.00 1.31 0.00 0.00 55.95 58.17 2kh2 s SER 5 Cb -0.25 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 66.43 2kh2 s SER 5 CO 0.30 -0.54 0.21 -1.48 0.41 0.00 0.00 173.24 172.14 2kh2 s LEU 6 N -1.19 1.16 0.05 2.44 0.05 -0.20 -4.97 118.68 116.02 2kh2 s LEU 6 Ca -0.12 -1.41 0.06 0.00 0.05 0.00 0.00 54.13 52.71 2kh2 s LEU 6 Cb -0.02 0.61 -0.02 0.00 -2.05 0.00 0.00 46.19 44.71 2kh2 s LEU 6 CO 0.08 -0.93 -0.16 0.20 -0.55 0.00 0.00 176.35 174.98 2kh2 s ASN 7 N -3.19 1.94 0.05 1.48 0.01 -1.26 0.28 114.94 114.26 2kh2 s ASN 7 Ca 0.37 -0.50 -0.28 0.00 -0.71 0.00 0.00 52.86 51.75 2kh2 s ASN 7 Cb 0.05 -0.13 0.09 0.00 0.41 0.00 0.00 41.25 41.67 2kh2 s ASN 7 CO 0.15 0.06 0.93 0.00 -1.51 0.00 0.00 177.10 176.73 2kh2 s THR 9 N -3.14 4.52 -0.12 0.00 -4.23 0.07 -1.57 115.64 111.17 2kh2 s THR 9 Ca 0.08 -0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 59.90 2kh2 s THR 9 Cb -0.01 -3.14 -0.02 0.00 1.34 0.00 0.00 72.50 70.67 2kh2 s THR 9 CO -0.05 0.19 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.37 2kh2 s LEU 10 N -2.17 2.95 -0.02 4.79 1.43 -1.26 -1.24 118.68 123.15 2kh2 s LEU 10 Ca 0.27 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 2kh2 s LEU 10 Cb -0.12 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 2kh2 s LEU 10 CO 0.19 0.21 -0.11 -0.13 0.23 0.00 0.00 176.35 176.74 2kh2 s ARG 11 N 0.10 0.99 0.92 1.70 0.52 -1.12 -3.91 118.95 118.16 2kh2 s ARG 11 Ca -0.04 -0.37 -0.16 0.00 -0.52 0.00 0.00 55.73 54.64 2kh2 s ARG 11 Cb -0.14 -0.94 0.22 0.00 0.52 0.00 0.00 34.95 34.61 2kh2 s ARG 11 CO 0.04 0.18 1.07 -0.40 0.02 0.00 0.00 175.30 176.21 2kh2 n ASP 12 N 3.04 -0.68 0.00 0.23 5.68 -1.06 0.12 116.55 123.88 2kh2 n ASP 12 Ca -0.16 -1.28 0.03 0.00 -0.50 0.00 0.00 54.79 52.88 2kh2 n ASP 12 Cb 0.55 -0.87 0.14 0.00 -1.14 0.00 0.00 41.12 39.80 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2kh2 n SER 13 N -4.07 0.00 -0.94 -1.12 7.64 -1.24 -0.84 113.62 113.04 2kh2 n SER 13 Ca 0.14 0.48 0.10 0.00 1.01 0.00 0.00 58.87 60.61 2kh2 n SER 13 Cb 0.50 -0.49 0.15 0.00 -1.01 0.00 0.00 64.21 63.36 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 -1.49 2.16 -1.70 1.43 1.13 -1.26 -4.94 117.38 112.70 2kh2 n GLN 14 Ca 0.02 -1.99 -0.10 0.00 -1.94 0.00 0.00 57.00 52.98 2kh2 n GLN 14 Cb 0.07 -1.43 -0.03 0.00 0.11 0.00 0.00 30.24 28.97 2kh2 n GLN 14 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2kh2 n GLN 15 N 1.23 -0.74 -2.47 -1.09 1.13 -0.02 -4.98 117.38 110.44 2kh2 n GLN 15 Ca 0.15 0.68 -0.32 0.00 -1.94 0.00 0.00 57.00 55.57 2kh2 n GLN 15 Cb 0.53 -4.66 -0.04 0.00 0.11 0.00 0.00 30.24 26.18 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 -3.61 3.97 0.11 -1.09 1.02 -1.26 -4.43 119.74 114.46 2kh2 s LYS 16 Ca 0.00 1.02 0.09 0.00 0.02 0.00 0.00 55.97 57.10 2kh2 s LYS 16 Cb 0.00 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 2kh2 s LYS 16 CO 0.00 -0.25 -0.19 -1.12 -0.92 0.00 0.00 175.35 172.86 2kh2 s SER 17 N -2.84 3.80 -0.18 2.83 0.01 0.99 -2.56 113.70 115.75 2kh2 s SER 17 Ca 0.60 -0.57 -0.25 0.00 1.31 0.00 0.00 55.95 57.04 2kh2 s SER 17 Cb -0.10 -0.51 -0.01 0.00 0.21 0.00 0.00 66.02 65.61 2kh2 s SER 17 CO 0.27 0.19 0.82 -0.76 0.41 0.00 0.00 173.24 174.17 2kh2 s LEU 18 N -2.06 4.17 0.11 2.44 1.43 -1.25 -1.74 118.68 121.77 2kh2 s LEU 18 Ca 0.17 1.15 0.09 0.00 -1.03 0.00 0.00 54.13 54.51 2kh2 s LEU 18 Cb -0.10 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 2kh2 s LEU 18 CO 0.09 -0.40 -0.22 0.68 0.23 0.00 0.00 176.35 176.73 2kh2 s VAL 19 N 2.19 1.87 -0.34 -1.59 -7.23 0.66 -2.44 120.40 113.52 2kh2 s VAL 19 Ca 0.38 -1.63 -0.26 0.00 -1.81 0.00 0.00 61.98 58.66 2kh2 s VAL 19 Cb -0.16 -1.69 0.01 0.00 0.56 0.00 0.00 36.38 35.10 2kh2 s VAL 19 CO 0.12 -0.04 0.91 -0.04 -0.31 0.00 0.00 175.10 175.74 2kh2 s MET 20 N -2.00 3.92 0.00 4.82 -1.94 -1.26 -0.99 119.30 121.85 2kh2 s MET 20 Ca 0.09 0.68 0.00 0.00 -1.71 0.00 0.00 55.69 54.75 2kh2 s MET 20 Cb -0.10 -3.77 0.00 0.00 2.01 0.00 0.00 34.83 32.98 2kh2 s MET 20 CO 0.05 -0.85 0.00 0.45 -0.01 0.00 0.00 175.02 174.66 2kh2 n SER 21 N 6.60 0.00 -4.15 3.03 2.88 0.32 -4.96 113.62 117.35 2kh2 n SER 21 Ca 0.07 0.23 -0.19 0.00 -1.33 0.00 0.00 58.87 57.65 2kh2 n SER 21 Cb 0.48 -0.28 0.01 0.00 -0.75 0.00 0.00 64.21 63.66 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 2.16 2.66 0.32 0.46 0.00 -1.14 -4.94 105.19 104.71 2kh2 n GLY 22 Ca 0.00 -2.26 0.14 0.00 0.00 0.00 0.00 46.02 43.90 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 0.06 -0.07 1.61 0.11 -2.03 -2.64 132.00 129.04 2kh2 h PRO 23 Ca -0.25 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.73 2kh2 h PRO 23 Cb 0.96 -0.01 -0.23 0.00 0.11 0.00 0.00 31.00 31.82 2kh2 h PRO 23 CO 0.39 0.04 -0.81 0.66 -0.21 0.00 0.00 178.00 178.08 2kh2 n TYR 24 N -4.46 0.23 -4.42 0.65 4.01 -1.26 -5.00 117.16 106.91 2kh2 n TYR 24 Ca 0.04 -1.12 -0.25 0.00 -0.16 0.00 0.00 57.90 56.42 2kh2 n TYR 24 Cb 0.34 -0.21 -0.17 0.00 -0.31 0.00 0.00 39.34 39.00 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 -1.80 1.58 -0.08 -0.72 2.12 -1.00 -4.31 118.70 114.51 2kh2 s GLU 25 Ca 0.36 -0.35 0.04 0.00 0.36 0.00 0.00 54.97 55.37 2kh2 s GLU 25 Cb 0.38 -1.39 -0.02 0.00 0.26 0.00 0.00 34.13 33.37 2kh2 s GLU 25 CO -0.11 -0.04 -0.19 -0.51 -0.54 0.00 0.00 175.26 173.88 2kh2 s LEU 26 N 0.89 2.44 0.12 2.70 1.43 -1.26 -0.52 118.68 124.48 2kh2 s LEU 26 Ca -0.11 -0.37 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 2kh2 s LEU 26 Cb -0.15 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 2kh2 s LEU 26 CO 0.01 0.25 -0.19 -0.54 0.23 0.00 0.00 176.35 176.11 2kh2 s LYS 27 N -0.16 1.14 -0.17 1.70 1.02 -0.16 -1.65 119.74 121.45 2kh2 s LYS 27 Ca -0.02 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 54.74 2kh2 s LYS 27 Cb -0.14 -1.27 0.01 0.00 -0.52 0.00 0.00 37.83 35.91 2kh2 s LYS 27 CO 0.04 0.28 -0.16 0.00 -0.92 0.00 0.00 175.35 174.58 2kh2 s ALA 28 N -1.57 2.45 0.10 5.17 0.00 0.37 -0.24 121.76 128.05 2kh2 s ALA 28 Ca 0.09 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.80 2kh2 s ALA 28 Cb -0.08 -1.26 0.01 0.00 0.00 0.00 0.00 23.12 21.79 2kh2 s ALA 28 CO 0.05 -0.22 0.26 -0.48 0.00 0.00 0.00 175.76 175.37 2kh2 s LEU 29 N 1.11 1.08 0.06 0.00 0.05 -0.71 -2.85 118.68 117.42 2kh2 s LEU 29 Ca 0.00 -0.54 -0.31 0.00 0.05 0.00 0.00 54.13 53.33 2kh2 s LEU 29 Cb -0.14 1.30 -0.08 0.00 -2.05 0.00 0.00 46.19 45.22 2kh2 s LEU 29 CO -0.06 -0.77 1.63 -1.00 -0.55 0.00 0.00 176.35 175.60 2kh2 s HIS 30 N -3.84 2.46 -0.28 3.48 3.76 -1.26 -0.01 115.29 119.60 2kh2 s HIS 30 Ca 0.04 0.37 -0.00 0.00 -0.15 0.00 0.00 55.06 55.32 2kh2 s HIS 30 Cb 0.04 -3.93 0.05 0.00 1.11 0.00 0.00 32.58 29.84 2kh2 s HIS 30 CO -0.11 -3.71 -0.05 -1.17 -0.85 0.00 0.00 174.74 168.84 2kh2 s LEU 31 N 2.63 3.59 0.00 0.89 2.96 -1.26 -4.89 118.68 122.60 2kh2 s LEU 31 Ca 0.73 -1.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 2kh2 s LEU 31 Cb -0.39 -1.65 -0.00 0.00 0.50 0.00 0.00 46.19 44.65 2kh2 s LEU 31 CO 0.32 -0.21 0.05 0.00 -1.32 0.00 0.00 176.35 175.18 2kh2 n GLN 32 N 4.58 0.92 0.00 1.98 6.02 -1.26 -4.75 117.38 124.86 2kh2 n GLN 32 Ca -0.14 -2.57 0.00 0.00 -0.01 0.00 0.00 57.00 54.28 2kh2 n GLN 32 Cb 0.44 1.00 0.00 0.00 1.02 0.00 0.00 30.24 32.70 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kh2 n GLY 33 N 0.41 1.01 0.85 1.08 0.00 -1.26 -2.45 105.19 104.83 2kh2 n GLY 33 Ca -0.10 -0.60 0.03 0.00 0.00 0.00 0.00 46.02 45.35 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 2.17 -0.14 1.61 -0.06 -1.26 -3.47 117.38 116.24 2kh2 n GLN 34 Ca 0.00 -1.07 0.12 0.00 -2.00 0.00 0.00 57.00 54.05 2kh2 n GLN 34 Cb 0.00 -1.62 0.18 0.00 -4.06 0.00 0.00 30.24 24.74 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 0.23 3.31 0.27 1.69 10.43 -1.03 -4.34 116.55 127.12 2kh2 n ASP 35 Ca 0.10 -1.98 0.18 0.00 2.57 0.00 0.00 54.79 55.65 2kh2 n ASP 35 Cb 0.49 -0.18 0.77 0.00 1.84 0.00 0.00 41.12 44.04 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 4.46 0.00 -0.48 -1.24 4.05 -1.62 -3.06 114.93 117.04 2kh2 h MET 36 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kh2 h MET 36 Cb 0.98 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.78 2kh2 h MET 36 CO 0.00 0.00 0.00 0.39 0.23 0.00 0.00 176.91 177.53 2kh2 n GLU 37 N -2.93 0.78 -0.27 0.39 -0.58 -1.26 -2.51 120.64 114.27 2kh2 n GLU 37 Ca -0.00 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.84 2kh2 n GLU 37 Cb 0.23 -1.24 0.24 0.00 -0.57 0.00 0.00 31.44 30.11 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 -0.13 2.62 -2.11 3.49 6.02 -1.16 -4.97 117.38 121.15 2kh2 n GLN 38 Ca 0.00 -2.36 -0.42 0.00 -0.01 0.00 0.00 57.00 54.21 2kh2 n GLN 38 Cb 0.12 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.89 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 -1.10 4.27 0.15 -1.09 -2.07 -1.04 -4.74 119.66 114.03 2kh2 s GLN 39 Ca 0.39 2.11 -0.30 0.00 -1.82 0.00 0.00 55.36 55.74 2kh2 s GLN 39 Cb 0.21 -3.47 -0.07 0.00 -1.09 0.00 0.00 33.01 28.58 2kh2 s GLN 39 CO 0.28 -0.58 1.11 0.08 -1.32 0.00 0.00 175.29 174.85 2kh2 s VAL 40 N 2.07 3.95 -0.21 3.63 1.01 -1.02 -5.02 120.40 124.80 2kh2 s VAL 40 Ca 0.67 1.61 -0.10 0.00 0.00 0.00 0.00 61.98 64.17 2kh2 s VAL 40 Cb -0.36 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 2kh2 s VAL 40 CO 0.29 0.24 0.13 -0.69 0.00 0.00 0.00 175.10 175.08 2kh2 s VAL 41 N 0.05 5.31 -0.12 2.92 1.01 -1.26 -4.55 120.40 123.76 2kh2 s VAL 41 Ca 0.51 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 2kh2 s VAL 41 Cb -0.29 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2kh2 s VAL 41 CO 0.33 0.41 -0.01 -0.36 0.00 0.00 0.00 175.10 175.47 2kh2 s PHE 42 N 0.59 3.10 -0.19 5.22 0.40 -0.61 -1.84 117.98 124.64 2kh2 s PHE 42 Ca 0.07 -0.02 -0.19 0.00 -0.60 0.00 0.00 56.93 56.20 2kh2 s PHE 42 Cb -0.12 -1.87 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 2kh2 s PHE 42 CO 0.00 0.24 0.54 -1.12 0.70 0.00 0.00 175.22 175.58 2kh2 s SER 43 N -0.29 6.61 -0.32 1.36 0.01 0.97 -2.07 113.70 119.97 2kh2 s SER 43 Ca 0.06 0.73 -0.10 0.00 1.31 0.00 0.00 55.95 57.95 2kh2 s SER 43 Cb -0.12 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2kh2 s SER 43 CO 0.02 -0.18 0.16 -0.04 0.41 0.00 0.00 173.24 173.60 2kh2 s MET 44 N 1.59 3.20 -0.06 12.44 -1.94 0.14 -2.94 119.30 131.74 2kh2 s MET 44 Ca 0.25 -0.81 -0.04 0.00 -1.71 0.00 0.00 55.69 53.39 2kh2 s MET 44 Cb -0.16 -3.58 -0.04 0.00 2.01 0.00 0.00 34.83 33.07 2kh2 s MET 44 CO 0.10 -0.48 0.12 -1.12 -0.01 0.00 0.00 175.02 173.64 2kh2 s SER 45 N 1.59 6.10 -0.93 3.03 0.01 -1.20 -1.03 113.70 121.27 2kh2 s SER 45 Ca 0.04 0.33 -0.22 0.00 1.31 0.00 0.00 55.95 57.40 2kh2 s SER 45 Cb -0.17 -1.89 0.07 0.00 0.21 0.00 0.00 66.02 64.24 2kh2 s SER 45 CO 0.06 0.33 1.30 -0.36 0.41 0.00 0.00 173.24 174.98 2kh2 s PHE 46 N -1.14 2.67 0.58 2.43 0.08 0.18 -2.39 117.98 120.39 2kh2 s PHE 46 Ca 0.20 -0.86 0.01 0.00 0.12 0.00 0.00 56.93 56.39 2kh2 s PHE 46 Cb -0.12 -4.54 0.05 0.00 -0.57 0.00 0.00 43.02 37.84 2kh2 s PHE 46 CO 0.10 -1.81 0.82 0.14 -0.10 0.00 0.00 175.22 174.37 2kh2 s VAL 47 N 4.37 2.56 -0.61 -0.44 -7.23 -1.13 -4.67 120.40 113.26 2kh2 s VAL 47 Ca 0.39 -0.63 -0.18 0.00 -1.81 0.00 0.00 61.98 59.74 2kh2 s VAL 47 Cb -0.04 -2.93 0.11 0.00 0.56 0.00 0.00 36.38 34.09 2kh2 s VAL 47 CO -0.05 0.00 0.69 -1.58 -0.31 0.00 0.00 175.10 173.85 2kh2 s GLN 48 N -4.84 3.08 0.00 4.82 2.00 -1.01 -4.77 119.66 118.95 2kh2 s GLN 48 Ca 0.59 -1.46 0.00 0.00 -2.00 0.00 0.00 55.36 52.49 2kh2 s GLN 48 Cb -0.10 -4.31 0.00 0.00 0.80 0.00 0.00 33.01 29.41 2kh2 s GLN 48 CO 0.40 -1.51 0.00 0.41 -0.50 0.00 0.00 175.29 174.09 2kh2 n GLY 49 N 5.22 5.12 3.54 2.59 0.00 -1.26 -4.90 105.19 115.50 2kh2 n GLY 49 Ca -0.08 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 2kh2 n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kh2 s GLU 50 N 4.06 3.42 0.14 1.61 2.56 -1.26 -4.96 118.70 124.27 2kh2 s GLU 50 Ca 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 54.97 54.98 2kh2 s GLU 50 Cb 0.00 -3.97 -0.04 0.00 2.00 0.00 0.00 34.13 32.11 2kh2 s GLU 50 CO 0.00 -1.28 -0.15 -2.00 -0.56 0.00 0.00 175.26 171.27 2kh2 s GLU 51 N 3.65 1.87 0.00 4.30 2.12 -1.26 -3.91 118.70 125.47 2kh2 s GLU 51 Ca 0.32 -1.23 0.00 0.00 0.36 0.00 0.00 54.97 54.42 2kh2 s GLU 51 Cb -0.12 -2.11 0.00 0.00 0.26 0.00 0.00 34.13 32.16 2kh2 s GLU 51 CO 0.23 0.46 0.00 -1.13 -0.54 0.00 0.00 175.26 174.28 2kh2 n SER 52 N 0.49 0.00 -0.01 -1.70 3.41 0.13 -4.93 113.62 111.02 2kh2 n SER 52 Ca -0.14 -0.35 0.13 0.00 -0.26 0.00 0.00 58.87 58.25 2kh2 n SER 52 Cb 0.54 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.98 2kh2 n SER 52 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2kh2 n ASN 53 N -0.39 0.20 -0.41 4.04 4.13 -1.26 -3.79 115.26 117.79 2kh2 n ASN 53 Ca 0.00 0.17 0.01 0.00 1.68 0.00 0.00 54.58 56.44 2kh2 n ASN 53 Cb 0.00 -0.21 0.01 0.00 -1.54 0.00 0.00 39.78 38.04 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2kh2 n ASP 54 N -1.47 0.16 -3.54 6.41 5.75 -1.26 -4.91 116.55 117.68 2kh2 n ASP 54 Ca 0.07 -1.94 -0.24 0.00 -0.01 0.00 0.00 54.79 52.67 2kh2 n ASP 54 Cb 0.33 -0.19 -0.15 0.00 -1.03 0.00 0.00 41.12 40.09 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2kh2 s LYS 55 N -0.18 0.15 -0.23 0.11 1.02 -1.25 -1.46 119.74 117.90 2kh2 s LYS 55 Ca 0.02 -0.10 -0.05 0.00 0.02 0.00 0.00 55.97 55.86 2kh2 s LYS 55 Cb 0.02 -1.40 -0.01 0.00 -0.52 0.00 0.00 37.83 35.91 2kh2 s LYS 55 CO 0.00 -0.77 -0.01 0.42 -0.92 0.00 0.00 175.35 174.07 2kh2 s ILE 56 N 2.21 3.63 -0.43 2.17 -1.09 -0.34 -0.69 121.20 126.67 2kh2 s ILE 56 Ca 0.06 -0.45 -0.29 0.00 -2.23 0.00 0.00 60.65 57.74 2kh2 s ILE 56 Cb -0.16 -2.69 0.02 0.00 -1.58 0.00 0.00 42.46 38.05 2kh2 s ILE 56 CO -0.18 0.36 1.23 -2.16 -1.23 0.00 0.00 174.94 172.97 2kh2 s PRO 57 N 1.51 3.73 0.08 2.79 0.04 -1.25 0.22 135.00 142.12 2kh2 s PRO 57 Ca 0.05 0.79 0.03 0.00 0.04 0.00 0.00 61.00 61.91 2kh2 s PRO 57 Cb -0.15 -3.93 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 2kh2 s PRO 57 CO -0.01 -1.37 -0.08 0.14 0.04 0.00 0.00 177.00 175.71 2kh2 s VAL 58 N 4.68 0.76 0.13 -0.36 -7.23 0.24 -2.84 120.40 115.78 2kh2 s VAL 58 Ca 0.53 -1.61 -0.00 0.00 -1.81 0.00 0.00 61.98 59.08 2kh2 s VAL 58 Cb -0.10 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 2kh2 s VAL 58 CO 0.30 -0.63 0.30 0.00 -0.31 0.00 0.00 175.10 174.76 2kh2 s ALA 59 N -2.60 3.92 -0.26 1.32 0.00 -1.01 -0.71 121.76 122.42 2kh2 s ALA 59 Ca 0.04 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.18 2kh2 s ALA 59 Cb -0.02 -1.91 0.07 0.00 0.00 0.00 0.00 23.12 21.26 2kh2 s ALA 59 CO -0.02 0.64 -0.02 -0.51 0.00 0.00 0.00 175.76 175.85 2kh2 s LEU 60 N -2.90 2.85 0.14 0.00 1.43 -1.26 -3.25 118.68 115.69 2kh2 s LEU 60 Ca 0.37 -1.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.10 2kh2 s LEU 60 Cb -0.12 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 2kh2 s LEU 60 CO 0.28 -0.28 -0.02 -0.83 0.23 0.00 0.00 176.35 175.73 2kh2 s GLY 61 N 1.35 1.01 0.17 -3.19 0.00 -1.15 -0.91 107.32 104.60 2kh2 s GLY 61 Ca -0.01 -1.48 -0.30 0.00 0.00 0.00 0.00 44.72 42.93 2kh2 s GLY 61 CO -0.09 -1.48 0.98 1.08 0.00 0.00 0.00 173.10 173.59 2kh2 s LEU 62 N -3.11 4.55 -0.00 0.66 1.02 -0.72 -0.02 118.68 121.07 2kh2 s LEU 62 Ca 0.19 1.91 -0.33 0.00 0.02 0.00 0.00 54.13 55.92 2kh2 s LEU 62 Cb 0.06 -3.60 -0.11 0.00 0.02 0.00 0.00 46.19 42.56 2kh2 s LEU 62 CO 0.00 -0.01 1.86 1.17 0.02 0.00 0.00 176.35 179.39 2kh2 n LYS 63 N 2.20 2.42 -2.02 1.70 4.81 -0.77 -1.54 118.16 124.96 2kh2 n LYS 63 Ca 0.01 0.89 -0.15 0.00 -0.87 0.00 0.00 58.31 58.18 2kh2 n LYS 63 Cb 0.48 -2.75 -0.02 0.00 0.02 0.00 0.00 35.03 32.75 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 6.32 -1.14 -4.20 1.64 1.02 -1.26 -5.00 120.64 118.01 2kh2 n GLU 64 Ca 0.21 0.82 -0.14 0.00 -0.02 0.00 0.00 57.16 58.03 2kh2 n GLU 64 Cb 0.33 -5.08 -0.10 0.00 -0.02 0.00 0.00 31.44 26.56 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 -4.29 0.92 -0.05 3.49 1.02 -0.59 -5.03 119.74 115.23 2kh2 s LYS 65 Ca 0.00 -1.29 0.17 0.00 0.02 0.00 0.00 55.97 54.87 2kh2 s LYS 65 Cb 0.00 -0.52 0.56 0.00 -0.52 0.00 0.00 37.83 37.34 2kh2 s LYS 65 CO 0.00 0.07 1.45 0.27 -0.92 0.00 0.00 175.35 176.22 2kh2 n ASN 66 N 0.21 3.57 -4.60 2.83 6.94 -1.26 -4.56 115.26 118.38 2kh2 n ASN 66 Ca -0.13 -2.18 -0.40 0.00 -0.02 0.00 0.00 54.58 51.85 2kh2 n ASN 66 Cb 0.59 -0.46 -0.08 0.00 -2.36 0.00 0.00 39.78 37.47 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 -1.29 4.09 0.13 -4.53 1.43 -1.26 -1.58 118.68 115.67 2kh2 s LEU 67 Ca 0.41 0.34 0.09 0.00 -1.03 0.00 0.00 54.13 53.94 2kh2 s LEU 67 Cb 0.24 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 2kh2 s LEU 67 CO 0.24 -0.27 -0.22 -0.31 0.23 0.00 0.00 176.35 176.02 2kh2 s TYR 68 N 2.21 1.96 -0.10 0.29 1.51 -0.81 -1.75 117.35 120.67 2kh2 s TYR 68 Ca 0.18 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.53 2kh2 s TYR 68 Cb -0.16 -1.04 -0.03 0.00 -0.11 0.00 0.00 41.96 40.62 2kh2 s TYR 68 CO 0.10 0.28 1.31 -0.51 -1.11 0.00 0.00 175.55 175.63 2kh2 s LEU 69 N -2.14 4.25 -0.03 -1.29 1.43 -0.09 -1.34 118.68 119.46 2kh2 s LEU 69 Ca 0.11 1.86 0.07 0.00 -1.03 0.00 0.00 54.13 55.13 2kh2 s LEU 69 Cb -0.09 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 2kh2 s LEU 69 CO 0.06 -0.73 -0.24 -0.55 0.23 0.00 0.00 176.35 175.12 2kh2 s SER 70 N 1.99 2.83 -0.35 2.29 0.15 0.56 -4.56 113.70 116.60 2kh2 s SER 70 Ca 0.59 -0.45 -0.11 0.00 0.70 0.00 0.00 55.95 56.68 2kh2 s SER 70 Cb -0.25 -0.52 0.01 0.00 -1.71 0.00 0.00 66.02 63.55 2kh2 s SER 70 CO 0.20 0.26 0.19 0.00 1.20 0.00 0.00 173.24 175.09 2kh2 s VAL 72 N 1.59 0.43 -0.30 0.00 -7.23 -0.54 -4.76 120.40 109.58 2kh2 s VAL 72 Ca 0.03 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.06 2kh2 s VAL 72 Cb -0.18 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 2kh2 s VAL 72 CO 0.07 -0.04 0.35 -0.76 -0.31 0.00 0.00 175.10 174.41 2kh2 s LEU 73 N -3.27 4.21 -0.26 1.32 1.43 -1.26 0.13 118.68 120.98 2kh2 s LEU 73 Ca 0.37 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 2kh2 s LEU 73 Cb 0.08 -2.35 0.05 0.00 0.03 0.00 0.00 46.19 43.99 2kh2 s LEU 73 CO 0.12 -0.24 -0.09 -0.54 0.23 0.00 0.00 176.35 175.84 2kh2 s LYS 74 N 2.02 2.49 -1.15 1.70 1.02 0.11 -4.72 119.74 121.21 2kh2 s LYS 74 Ca 0.13 -1.20 -0.06 0.00 0.02 0.00 0.00 55.97 54.86 2kh2 s LYS 74 Cb -0.16 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.18 2kh2 s LYS 74 CO 0.11 -0.51 0.87 -3.47 -0.92 0.00 0.00 175.35 171.43 2kh2 n ASP 75 N 4.54 -4.22 -1.60 2.83 -0.08 -1.26 -2.05 116.55 114.71 2kh2 n ASP 75 Ca -0.15 -0.77 -0.21 0.00 -1.51 0.00 0.00 54.79 52.16 2kh2 n ASP 75 Cb 0.44 -4.64 -0.09 0.00 2.34 0.00 0.00 41.12 39.18 2kh2 n ASP 75 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kh2 n ASP 76 N -3.08 -5.51 -3.83 1.67 9.92 -1.26 -4.97 116.55 109.49 2kh2 n ASP 76 Ca -0.17 0.51 -0.20 0.00 -0.53 0.00 0.00 54.79 54.40 2kh2 n ASP 76 Cb 0.64 -4.83 -0.17 0.00 -0.64 0.00 0.00 41.12 36.12 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 -3.78 0.58 -0.00 -1.24 2.47 -0.87 -5.11 119.74 111.78 2kh2 s LYS 77 Ca 0.00 0.02 -0.30 0.00 -1.56 0.00 0.00 55.97 54.13 2kh2 s LYS 77 Cb 0.00 -0.75 -0.07 0.00 -1.46 0.00 0.00 37.83 35.56 2kh2 s LYS 77 CO 0.00 -0.16 1.68 -2.14 0.16 0.00 0.00 175.35 174.89 2kh2 s PRO 78 N 1.24 4.19 0.12 4.03 0.02 -1.26 0.10 135.00 143.43 2kh2 s PRO 78 Ca -0.06 2.28 0.02 0.00 0.02 0.00 0.00 61.00 63.25 2kh2 s PRO 78 Cb -0.13 -3.87 -0.04 0.00 0.02 0.00 0.00 34.50 30.47 2kh2 s PRO 78 CO -0.02 -0.81 -0.06 0.99 -0.33 0.00 0.00 177.00 176.77 2kh2 s THR 79 N 3.58 0.74 0.02 0.99 2.01 0.12 -4.65 115.64 118.46 2kh2 s THR 79 Ca 0.75 -1.96 -0.01 0.00 0.31 0.00 0.00 61.69 60.78 2kh2 s THR 79 Cb -0.36 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 2kh2 s THR 79 CO 0.32 -0.79 0.18 -0.22 -0.69 0.00 0.00 174.62 173.42 2kh2 s LEU 80 N -3.08 4.30 0.32 4.42 2.96 -1.26 -1.47 118.68 124.88 2kh2 s LEU 80 Ca 0.15 0.28 -0.15 0.00 -0.22 0.00 0.00 54.13 54.19 2kh2 s LEU 80 Cb 0.05 -2.72 0.03 0.00 0.50 0.00 0.00 46.19 44.05 2kh2 s LEU 80 CO -0.03 0.22 0.68 0.00 -1.32 0.00 0.00 176.35 175.90 2kh2 s GLN 81 N -2.18 1.94 -0.22 1.98 -2.07 -0.24 -4.96 119.66 113.92 2kh2 s GLN 81 Ca 0.30 -1.30 -0.05 0.00 -1.82 0.00 0.00 55.36 52.49 2kh2 s GLN 81 Cb -0.13 0.57 -0.02 0.00 -1.09 0.00 0.00 33.01 32.35 2kh2 s GLN 81 CO 0.22 -0.88 -0.01 -0.51 -1.32 0.00 0.00 175.29 172.80 2kh2 s LEU 82 N -3.03 3.13 -0.14 2.60 2.01 -1.26 -0.32 118.68 121.67 2kh2 s LEU 82 Ca 0.17 -0.28 -0.03 0.00 0.01 0.00 0.00 54.13 54.00 2kh2 s LEU 82 Cb -0.04 -1.80 -0.03 0.00 0.01 0.00 0.00 46.19 44.33 2kh2 s LEU 82 CO 0.11 0.01 -0.03 -1.61 1.01 0.00 0.00 176.35 175.84 2kh2 s GLU 83 N 1.29 3.48 -0.89 1.70 2.02 -0.45 -4.90 118.70 120.96 2kh2 s GLU 83 Ca 0.04 -0.50 -0.19 0.00 0.02 0.00 0.00 54.97 54.33 2kh2 s GLU 83 Cb -0.15 -2.87 0.12 0.00 0.10 0.00 0.00 34.13 31.33 2kh2 s GLU 83 CO 0.00 0.36 1.10 -1.54 0.02 0.00 0.00 175.26 175.20 2kh2 s SER 84 N 0.05 6.55 0.64 -0.19 1.04 -1.26 -1.92 113.70 118.62 2kh2 s SER 84 Ca 0.00 -1.88 -0.06 0.00 0.48 0.00 0.00 55.95 54.50 2kh2 s SER 84 Cb -0.13 -2.40 0.03 0.00 0.10 0.00 0.00 66.02 63.62 2kh2 s SER 84 CO 0.03 -1.12 0.94 0.68 0.98 0.00 0.00 173.24 174.74 2kh2 s VAL 85 N 2.92 2.93 -0.02 5.02 -7.23 -0.61 -4.99 120.40 118.42 2kh2 s VAL 85 Ca 0.31 -0.19 -0.30 0.00 -1.81 0.00 0.00 61.98 60.00 2kh2 s VAL 85 Cb -0.07 -3.20 -0.08 0.00 0.56 0.00 0.00 36.38 33.59 2kh2 s VAL 85 CO -0.07 -0.21 2.02 -0.62 -0.31 0.00 0.00 175.10 175.92 2kh2 s ASP 86 N -4.41 6.25 0.61 4.85 2.15 -1.26 -4.84 116.67 120.01 2kh2 s ASP 86 Ca 0.57 2.51 0.33 0.00 0.43 0.00 0.00 52.55 56.39 2kh2 s ASP 86 Cb -0.11 -2.53 1.94 0.00 -0.30 0.00 0.00 42.92 41.93 2kh2 s ASP 86 CO 0.44 -1.24 2.28 1.55 -0.17 0.00 0.00 175.17 178.03 2kh2 h PRO 87 N 11.50 0.00 0.00 4.34 0.13 -1.93 -2.14 132.00 143.91 2kh2 h PRO 87 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kh2 h PRO 87 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kh2 h PRO 87 CO 0.94 0.00 -1.38 0.36 -0.23 0.00 0.00 178.00 177.69 2kh2 n LYS 88 N -3.70 0.30 0.00 0.86 2.85 -1.26 -4.12 118.16 113.09 2kh2 n LYS 88 Ca -0.03 -0.08 0.12 0.00 -1.05 0.00 0.00 58.31 57.28 2kh2 n LYS 88 Cb 0.08 -1.52 0.16 0.00 -0.65 0.00 0.00 35.03 33.10 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 2.44 -4.03 -5.58 3.02 -0.86 -4.91 115.26 103.47 2kh2 n ASN 89 Ca 0.01 -1.75 -0.14 0.00 -0.03 0.00 0.00 54.58 52.67 2kh2 n ASN 89 Cb 0.44 0.11 -0.12 0.00 -0.61 0.00 0.00 39.78 39.60 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 -2.13 0.61 0.84 3.10 1.51 -0.88 -4.47 117.35 115.92 2kh2 s TYR 90 Ca 0.27 -0.38 -0.10 0.00 -1.01 0.00 0.00 57.07 55.85 2kh2 s TYR 90 Cb 0.20 -0.37 0.15 0.00 -0.11 0.00 0.00 41.96 41.82 2kh2 s TYR 90 CO 0.38 -0.06 1.17 -1.25 -1.11 0.00 0.00 175.55 174.68 2kh2 s PRO 91 N -1.16 1.31 0.15 -1.71 0.04 -1.26 -4.79 135.00 127.58 2kh2 s PRO 91 Ca -0.07 -0.51 -0.09 0.00 0.04 0.00 0.00 61.00 60.38 2kh2 s PRO 91 Cb -0.08 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 2kh2 s PRO 91 CO 0.00 -1.88 0.27 -1.59 0.04 0.00 0.00 177.00 173.84 2kh2 s LYS 92 N -5.56 1.11 0.06 4.56 -2.85 -1.26 -5.07 119.74 110.73 2kh2 s LYS 92 Ca 0.68 -1.13 -0.19 0.00 -1.00 0.00 0.00 55.97 54.33 2kh2 s LYS 92 Cb -0.06 0.37 -0.12 0.00 -2.06 0.00 0.00 37.83 35.96 2kh2 s LYS 92 CO 0.49 -0.40 1.42 -0.22 0.10 0.00 0.00 175.35 176.74 2kh2 h LYS 93 N 2.57 0.39 -3.71 1.78 3.64 -1.97 -3.36 116.57 115.91 2kh2 h LYS 93 Ca -0.32 -0.17 -0.77 0.00 -1.27 0.00 0.00 60.65 58.12 2kh2 h LYS 93 Cb 1.22 -0.01 -0.28 0.00 -0.41 0.00 0.00 32.23 32.75 2kh2 h LYS 93 CO 0.49 0.69 0.09 0.21 -2.27 0.00 0.00 179.45 178.66 2kh2 s LYS 94 N -4.58 3.55 0.89 1.90 2.47 -1.26 -2.39 119.74 120.31 2kh2 s LYS 94 Ca -0.14 -2.68 -0.13 0.00 -1.56 0.00 0.00 55.97 51.46 2kh2 s LYS 94 Cb 0.06 -4.32 0.16 0.00 -1.46 0.00 0.00 37.83 32.27 2kh2 s LYS 94 CO 0.75 -1.26 1.24 -1.64 0.16 0.00 0.00 175.35 174.60 2kh2 s MET 95 N -0.25 1.15 0.52 4.03 -1.94 -1.26 -5.03 119.30 116.51 2kh2 s MET 95 Ca 0.21 -0.33 -0.20 0.00 -1.71 0.00 0.00 55.69 53.65 2kh2 s MET 95 Cb -0.11 -1.93 -0.06 0.00 2.01 0.00 0.00 34.83 34.73 2kh2 s MET 95 CO -0.08 -2.06 1.13 -1.21 -0.01 0.00 0.00 175.02 172.79 2kh2 s GLU 96 N -5.71 3.50 0.50 2.03 8.01 -1.26 -4.92 118.70 120.85 2kh2 s GLU 96 Ca 0.70 1.62 0.20 0.00 0.01 0.00 0.00 54.97 57.49 2kh2 s GLU 96 Cb -0.06 -2.11 1.26 0.00 -4.31 0.00 0.00 34.13 28.91 2kh2 s GLU 96 CO 0.51 -0.73 2.03 -0.22 0.01 0.00 0.00 175.26 176.86 2kh2 h LYS 97 N 1.44 0.11 0.00 1.61 1.63 -1.96 0.86 116.57 120.27 2kh2 h LYS 97 Ca -0.50 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 2kh2 h LYS 97 Cb 1.25 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2kh2 h LYS 97 CO 0.58 0.08 0.00 2.89 -3.45 0.00 0.00 179.45 179.54 2kh2 n ARG 98 N -4.44 0.26 -0.04 1.90 1.85 -1.26 -2.79 116.66 112.13 2kh2 n ARG 98 Ca 0.06 0.04 0.05 0.00 -1.00 0.00 0.00 57.85 57.01 2kh2 n ARG 98 Cb 0.41 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 30.39 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 -1.35 0.12 -3.59 2.89 3.72 0.28 -1.58 117.46 117.94 2kh2 n PHE 99 Ca 0.11 -0.13 -0.38 0.00 -0.05 0.00 0.00 57.45 56.99 2kh2 n PHE 99 Cb 0.24 -0.01 -0.10 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 -0.91 5.31 0.07 -4.37 1.01 -1.09 -4.13 120.40 116.29 2kh2 s VAL 100 Ca 0.15 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.41 2kh2 s VAL 100 Cb 0.09 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2kh2 s VAL 100 CO 0.14 0.27 -0.10 -0.36 0.00 0.00 0.00 175.10 175.04 2kh2 s PHE 101 N 1.60 2.76 -0.41 5.22 0.08 0.12 -2.15 117.98 125.19 2kh2 s PHE 101 Ca 0.08 -0.14 -0.12 0.00 0.12 0.00 0.00 56.93 56.87 2kh2 s PHE 101 Cb -0.15 -1.48 0.05 0.00 -0.57 0.00 0.00 43.02 40.87 2kh2 s PHE 101 CO 0.09 0.39 0.27 -0.80 -0.10 0.00 0.00 175.22 175.07 2kh2 s ASN 102 N -1.94 5.82 -0.63 1.36 0.02 0.21 -0.59 114.94 119.19 2kh2 s ASN 102 Ca 0.20 -1.20 -0.27 0.00 -1.02 0.00 0.00 52.86 50.56 2kh2 s ASN 102 Cb -0.11 -2.06 0.01 0.00 0.02 0.00 0.00 41.25 39.11 2kh2 s ASN 102 CO 0.11 -0.49 1.48 -0.75 0.02 0.00 0.00 177.10 177.47 2kh2 s LYS 103 N 1.54 3.11 0.07 -0.60 2.20 0.13 -1.25 119.74 124.95 2kh2 s LYS 103 Ca 0.03 0.27 -0.25 0.00 -0.36 0.00 0.00 55.97 55.66 2kh2 s LYS 103 Cb -0.21 -4.20 -0.06 0.00 -1.51 0.00 0.00 37.83 31.84 2kh2 s LYS 103 CO 0.06 -2.19 0.76 0.42 -0.36 0.00 0.00 175.35 174.04 2kh2 s ILE 104 N 6.66 4.65 -0.26 5.43 1.01 0.27 -1.20 121.20 137.76 2kh2 s ILE 104 Ca 0.50 1.64 -0.07 0.00 0.00 0.00 0.00 60.65 62.72 2kh2 s ILE 104 Cb -0.10 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 2kh2 s ILE 104 CO 0.21 0.41 0.07 -1.61 0.00 0.00 0.00 174.94 174.02 2kh2 s GLU 105 N -0.33 3.50 -0.05 2.79 0.41 -0.53 -1.32 118.70 123.17 2kh2 s GLU 105 Ca 0.38 -0.58 -0.05 0.00 -0.41 0.00 0.00 54.97 54.30 2kh2 s GLU 105 Cb -0.21 -3.34 -0.02 0.00 -1.78 0.00 0.00 34.13 28.79 2kh2 s GLU 105 CO 0.24 -0.26 -0.10 -0.89 -0.49 0.00 0.00 175.26 173.76 2kh2 n ILE 106 N 4.91 0.50 0.00 -1.63 5.41 -1.15 -4.86 119.36 122.54 2kh2 n ILE 106 Ca -0.16 0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.93 2kh2 n ILE 106 Cb 0.50 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 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 -3.12 0.00 -0.49 4.38 0.23 -1.26 -4.96 115.26 110.04 2kh2 n ASN 107 Ca -0.04 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.05 2kh2 n ASN 107 Cb 0.15 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 37.97 2kh2 n ASN 107 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2kh2 n ASN 108 N 0.00 2.73 -4.20 0.53 6.94 -1.26 -4.96 115.26 115.03 2kh2 n ASN 108 Ca 0.00 -2.03 -0.20 0.00 -0.02 0.00 0.00 54.58 52.32 2kh2 n ASN 108 Cb 0.00 -0.19 -0.12 0.00 -2.36 0.00 0.00 39.78 37.11 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2kh2 s LYS 109 N -1.05 0.95 0.09 -3.83 -0.14 -1.26 -4.86 119.74 109.64 2kh2 s LYS 109 Ca 0.18 -0.96 0.08 0.00 -1.36 0.00 0.00 55.97 53.90 2kh2 s LYS 109 Cb 0.10 -1.03 -0.03 0.00 -1.68 0.00 0.00 37.83 35.18 2kh2 s LYS 109 CO 0.12 0.24 -0.20 -0.48 -0.76 0.00 0.00 175.35 174.27 2kh2 s LEU 110 N -1.62 2.28 0.28 3.17 2.34 -0.62 -2.92 118.68 121.58 2kh2 s LEU 110 Ca 0.01 -0.65 0.10 0.00 0.06 0.00 0.00 54.13 53.66 2kh2 s LEU 110 Cb -0.09 -0.83 -0.05 0.00 -0.56 0.00 0.00 46.19 44.66 2kh2 s LEU 110 CO 0.02 0.05 -0.04 -1.61 -1.06 0.00 0.00 176.35 173.71 2kh2 s GLU 111 N -1.77 2.15 -0.33 1.48 2.02 -0.44 0.16 118.70 121.98 2kh2 s GLU 111 Ca 0.05 -1.52 0.03 0.00 0.02 0.00 0.00 54.97 53.56 2kh2 s GLU 111 Cb -0.10 -2.06 0.10 0.00 0.10 0.00 0.00 34.13 32.16 2kh2 s GLU 111 CO 0.04 0.34 0.05 -0.06 0.02 0.00 0.00 175.26 175.64 2kh2 s PHE 112 N -2.38 3.47 0.07 1.61 0.08 -1.26 -0.56 117.98 119.01 2kh2 s PHE 112 Ca 0.31 -2.80 -0.12 0.00 0.12 0.00 0.00 56.93 54.45 2kh2 s PHE 112 Cb -0.06 -2.71 -0.06 0.00 -0.57 0.00 0.00 43.02 39.63 2kh2 s PHE 112 CO 0.19 -0.93 0.43 -2.00 -0.10 0.00 0.00 175.22 172.80 2kh2 s GLU 113 N 1.01 3.84 -0.09 0.44 2.12 -0.38 -1.89 118.70 123.74 2kh2 s GLU 113 Ca 0.10 0.29 -0.24 0.00 0.36 0.00 0.00 54.97 55.47 2kh2 s GLU 113 Cb -0.19 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 2kh2 s GLU 113 CO -0.10 0.58 0.76 0.45 -0.54 0.00 0.00 175.26 176.41 2kh2 s SER 114 N -1.58 7.01 0.27 -1.70 0.15 -0.14 0.66 113.70 118.37 2kh2 s SER 114 Ca 0.31 1.22 0.07 0.00 0.70 0.00 0.00 55.95 58.26 2kh2 s SER 114 Cb -0.15 -2.44 0.35 0.00 -1.71 0.00 0.00 66.02 62.08 2kh2 s SER 114 CO 0.17 -0.20 1.62 0.00 1.20 0.00 0.00 173.24 176.03 2kh2 h ALA 115 N 6.93 0.98 -0.45 5.45 0.00 -1.66 -3.01 119.26 127.49 2kh2 h ALA 115 Ca -0.38 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 53.95 2kh2 h ALA 115 Cb 1.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2kh2 h ALA 115 CO 0.77 0.70 -0.00 0.37 0.00 0.00 0.00 179.25 181.09 2kh2 h GLN 116 N 0.11 0.80 -4.03 0.00 5.75 -1.76 -3.40 115.11 112.58 2kh2 h GLN 116 Ca -0.00 -0.26 -0.61 0.00 -0.15 0.00 0.00 58.65 57.63 2kh2 h GLN 116 Cb 1.02 -0.07 -0.40 0.00 1.07 0.00 0.00 27.48 29.10 2kh2 h GLN 116 CO 0.08 0.86 -0.74 -0.06 -2.65 0.00 0.00 178.83 176.32 2kh2 s PHE 117 N -5.01 2.56 0.44 3.99 0.08 -1.14 -5.07 117.98 113.83 2kh2 s PHE 117 Ca -0.13 -2.25 -0.25 0.00 0.12 0.00 0.00 56.93 54.42 2kh2 s PHE 117 Cb 0.11 -2.21 -0.08 0.00 -0.57 0.00 0.00 43.02 40.27 2kh2 s PHE 117 CO 0.81 -0.90 1.37 -2.14 -0.10 0.00 0.00 175.22 174.26 2kh2 s PRO 118 N 1.32 3.78 0.00 0.24 0.02 -1.21 -2.52 135.00 136.64 2kh2 s PRO 118 Ca 0.10 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.42 2kh2 s PRO 118 Cb -0.18 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.66 2kh2 s PRO 118 CO -0.18 -0.70 0.00 -1.71 -0.33 0.00 0.00 177.00 174.08 2kh2 n ASN 119 N -0.09 -3.33 -4.27 2.53 5.15 -1.26 -5.00 115.26 108.99 2kh2 n ASN 119 Ca 0.05 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.67 2kh2 n ASN 119 Cb 0.43 -1.11 -0.14 0.00 -0.53 0.00 0.00 39.78 38.43 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 -1.92 3.05 0.17 1.20 0.52 -1.05 -4.43 118.94 116.48 2kh2 s TRP 120 Ca 0.00 -1.19 0.10 0.00 0.02 0.00 0.00 56.10 55.03 2kh2 s TRP 120 Cb 0.00 -2.12 -0.04 0.00 -1.15 0.00 0.00 33.47 30.15 2kh2 s TRP 120 CO 0.00 -0.63 -0.17 0.71 0.02 0.00 0.00 176.95 176.88 2kh2 s TYR 121 N 1.42 2.48 -0.17 -1.98 1.51 0.24 -0.96 117.35 119.89 2kh2 s TYR 121 Ca 0.03 -0.29 -0.29 0.00 -1.01 0.00 0.00 57.07 55.51 2kh2 s TYR 121 Cb -0.16 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.41 2kh2 s TYR 121 CO -0.02 0.48 1.78 0.42 -1.11 0.00 0.00 175.55 177.10 2kh2 s ILE 122 N -1.58 3.46 0.25 2.71 1.01 -0.79 0.23 121.20 126.48 2kh2 s ILE 122 Ca 0.22 0.52 0.12 0.00 0.00 0.00 0.00 60.65 61.50 2kh2 s ILE 122 Cb -0.09 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 2kh2 s ILE 122 CO 0.12 -0.18 -0.20 -0.44 0.00 0.00 0.00 174.94 174.23 2kh2 s SER 123 N 4.90 3.59 -0.04 3.58 0.01 0.52 -4.47 113.70 121.79 2kh2 s SER 123 Ca 0.79 -0.95 -0.03 0.00 1.31 0.00 0.00 55.95 57.07 2kh2 s SER 123 Cb -0.30 -0.32 0.01 0.00 0.21 0.00 0.00 66.02 65.63 2kh2 s SER 123 CO 0.32 0.07 0.09 0.42 0.41 0.00 0.00 173.24 174.56 2kh2 s THR 124 N -2.18 -0.00 0.72 1.44 -4.23 -0.85 -2.38 115.64 108.15 2kh2 s THR 124 Ca 0.27 0.01 -0.11 0.00 -1.18 0.00 0.00 61.69 60.67 2kh2 s THR 124 Cb -0.06 -0.14 0.02 0.00 1.34 0.00 0.00 72.50 73.66 2kh2 s THR 124 CO 0.13 0.00 1.08 -0.44 -0.54 0.00 0.00 174.62 174.86 2kh2 s SER 125 N 0.10 5.25 0.42 3.99 0.01 -1.26 -0.19 113.70 122.02 2kh2 s SER 125 Ca -0.00 1.28 0.18 0.00 1.31 0.00 0.00 55.95 58.72 2kh2 s SER 125 Cb -0.01 -2.10 0.93 0.00 0.21 0.00 0.00 66.02 65.04 2kh2 s SER 125 CO -0.00 -1.48 1.88 1.56 0.41 0.00 0.00 173.24 175.61 2kh2 h GLN 126 N -0.75 0.00 -6.90 12.44 1.08 -1.96 -3.44 115.11 115.57 2kh2 h GLN 126 Ca -0.45 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.21 2kh2 h GLN 126 Cb 1.24 0.00 0.10 0.00 -0.05 0.00 0.00 27.48 28.77 2kh2 h GLN 126 CO 0.61 0.29 0.78 0.00 -0.95 0.00 0.00 178.83 179.56 2kh2 s ALA 127 N -4.06 3.60 0.44 3.87 0.00 -1.26 -4.98 121.76 119.37 2kh2 s ALA 127 Ca -0.02 1.53 -0.22 0.00 0.00 0.00 0.00 51.96 53.24 2kh2 s ALA 127 Cb 0.13 -3.60 -0.08 0.00 0.00 0.00 0.00 23.12 19.57 2kh2 s ALA 127 CO 0.67 -0.98 1.07 -2.00 0.00 0.00 0.00 175.76 174.52 2kh2 s GLU 128 N -1.70 3.95 -1.19 0.00 2.56 -1.26 -3.72 118.70 117.34 2kh2 s GLU 128 Ca 0.54 1.50 -0.02 0.00 0.00 0.00 0.00 54.97 57.00 2kh2 s GLU 128 Cb -0.46 -2.35 0.00 0.00 2.00 0.00 0.00 34.13 33.33 2kh2 s GLU 128 CO 0.58 -0.33 0.21 -1.71 -0.56 0.00 0.00 175.26 173.46 2kh2 n ASN 129 N -0.48 -4.65 -4.88 -1.70 5.15 -1.13 -5.01 115.26 102.55 2kh2 n ASN 129 Ca 0.07 -0.11 -0.35 0.00 -0.60 0.00 0.00 54.58 53.59 2kh2 n ASN 129 Cb 0.50 -3.66 -0.05 0.00 -0.53 0.00 0.00 39.78 36.04 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 -5.04 3.53 0.99 1.20 -1.94 -1.15 -4.86 119.30 112.04 2kh2 s MET 130 Ca 0.10 -0.11 -0.12 0.00 -1.71 0.00 0.00 55.69 53.85 2kh2 s MET 130 Cb -0.05 -3.13 0.18 0.00 2.01 0.00 0.00 34.83 33.85 2kh2 s MET 130 CO 0.13 0.70 1.09 -2.14 -0.01 0.00 0.00 175.02 174.78 2kh2 s PRO 131 N -1.52 0.47 -0.20 2.03 0.02 -1.26 -0.47 135.00 134.07 2kh2 s PRO 131 Ca 0.23 0.63 -0.12 0.00 0.02 0.00 0.00 61.00 61.77 2kh2 s PRO 131 Cb -0.13 -1.73 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 2kh2 s PRO 131 CO 0.13 -2.73 0.20 0.08 -0.33 0.00 0.00 177.00 174.35 2kh2 s VAL 132 N -2.90 5.36 0.34 3.83 1.01 -0.66 -4.67 120.40 122.70 2kh2 s VAL 132 Ca 0.65 0.33 0.06 0.00 0.00 0.00 0.00 61.98 63.02 2kh2 s VAL 132 Cb -0.19 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2kh2 s VAL 132 CO 0.58 0.40 0.25 0.72 0.00 0.00 0.00 175.10 177.05 2kh2 s PHE 133 N 0.57 1.74 -0.22 5.22 -0.12 -1.00 -4.81 117.98 119.36 2kh2 s PHE 133 Ca 0.11 -1.60 -0.13 0.00 -0.05 0.00 0.00 56.93 55.26 2kh2 s PHE 133 Cb -0.12 -0.78 -0.04 0.00 -0.63 0.00 0.00 43.02 41.45 2kh2 s PHE 133 CO 0.01 -0.78 0.27 -1.17 -0.05 0.00 0.00 175.22 173.51 2kh2 s LEU 134 N -3.40 4.13 -0.07 -1.99 2.96 -1.26 -0.35 118.68 118.69 2kh2 s LEU 134 Ca 0.38 0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 2kh2 s LEU 134 Cb 0.03 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 2kh2 s LEU 134 CO 0.25 -0.00 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.36 2kh2 s GLY 135 N 1.07 1.66 0.00 7.98 0.00 0.13 -4.85 107.32 113.32 2kh2 s GLY 135 Ca 0.13 -0.90 0.23 0.00 0.00 0.00 0.00 44.72 44.18 2kh2 s GLY 135 CO 0.06 -0.63 1.41 0.61 0.00 0.00 0.00 173.10 174.55 2kh2 n GLY 136 N 2.35 1.82 3.16 0.20 0.00 -1.26 -0.60 105.19 110.86 2kh2 n GLY 136 Ca -0.18 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.42 2.74 -0.21 2.61 2.01 -1.26 -4.85 115.64 115.26 2kh2 s THR 137 Ca 0.39 -1.29 -0.17 0.00 0.31 0.00 0.00 61.69 60.93 2kh2 s THR 137 Cb 0.23 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 2kh2 s THR 137 CO 0.31 0.05 0.46 -0.75 -0.69 0.00 0.00 174.62 174.00 2kh2 s LYS 138 N 1.25 4.17 0.00 4.92 2.20 -1.26 -4.04 119.74 126.97 2kh2 s LYS 138 Ca -0.04 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.88 2kh2 s LYS 138 Cb -0.18 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 2kh2 s LYS 138 CO -0.04 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 2kh2 n GLY 139 N 3.97 0.60 0.00 5.54 0.00 -1.26 -5.06 105.19 108.98 2kh2 n GLY 139 Ca -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.41 1.72 0.19 -0.02 0.00 -1.26 -5.00 105.19 99.41 2kh2 n GLY 140 Ca 0.00 -1.55 -0.19 0.00 0.00 0.00 0.00 46.02 44.29 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 0.64 -7.41 1.61 7.50 -1.97 -3.45 115.11 112.03 2kh2 h GLN 141 Ca 0.00 -0.63 -0.50 0.00 0.50 0.00 0.00 58.65 58.02 2kh2 h GLN 141 Cb 0.00 0.17 0.10 0.00 0.05 0.00 0.00 27.48 27.79 2kh2 h GLN 141 CO 0.00 1.24 0.37 -0.51 -1.50 0.00 0.00 178.83 178.43 2kh2 s ASP 142 N -7.07 5.05 -0.22 1.46 1.01 -1.26 -4.49 116.67 111.15 2kh2 s ASP 142 Ca -0.11 1.34 -0.11 0.00 0.71 0.00 0.00 52.55 54.39 2kh2 s ASP 142 Cb 0.06 -2.15 -0.05 0.00 1.01 0.00 0.00 42.92 41.79 2kh2 s ASP 142 CO 0.89 -1.62 0.17 -0.63 0.21 0.00 0.00 175.17 174.18 2kh2 s ILE 143 N -3.18 5.37 -0.11 0.77 1.01 0.73 -4.64 121.20 121.15 2kh2 s ILE 143 Ca 0.59 0.23 0.14 0.00 0.00 0.00 0.00 60.65 61.60 2kh2 s ILE 143 Cb -0.13 -3.51 -0.20 0.00 0.01 0.00 0.00 42.46 38.64 2kh2 s ILE 143 CO 0.54 0.38 0.13 0.35 0.00 0.00 0.00 174.94 176.34 2kh2 n THR 144 N 3.98 0.70 -3.43 2.92 -2.24 -1.26 -2.01 114.28 112.93 2kh2 n THR 144 Ca -0.15 -0.53 -0.32 0.00 -2.27 0.00 0.00 64.05 60.78 2kh2 n THR 144 Cb 0.52 -0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.30 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 -4.47 6.63 0.37 3.42 -4.77 -1.26 -4.16 116.67 112.43 2kh2 s ASP 145 Ca -0.07 0.91 0.06 0.00 -3.30 0.00 0.00 52.55 50.16 2kh2 s ASP 145 Cb 0.06 -2.22 -0.02 0.00 -1.09 0.00 0.00 42.92 39.64 2kh2 s ASP 145 CO 0.60 -0.05 0.23 0.49 0.70 0.00 0.00 175.17 177.15 2kh2 n PHE 146 N -0.02 -0.42 -4.61 2.11 3.72 0.12 -3.73 117.46 114.63 2kh2 n PHE 146 Ca -0.00 -2.80 -0.28 0.00 -0.05 0.00 0.00 57.45 54.32 2kh2 n PHE 146 Cb 0.52 0.17 -0.14 0.00 -0.94 0.00 0.00 39.48 39.10 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 -3.28 2.00 -0.27 4.37 -4.23 0.12 -1.59 115.64 112.76 2kh2 s THR 147 Ca 0.33 -1.47 -0.09 0.00 -1.18 0.00 0.00 61.69 59.28 2kh2 s THR 147 Cb 0.02 -1.75 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 2kh2 s THR 147 CO 0.23 0.19 0.12 -0.04 -0.54 0.00 0.00 174.62 174.58 2kh2 s MET 148 N -1.56 3.71 -0.51 3.99 -1.94 -1.26 -2.81 119.30 118.92 2kh2 s MET 148 Ca 0.11 -0.45 -0.01 0.00 -1.71 0.00 0.00 55.69 53.63 2kh2 s MET 148 Cb -0.10 -3.45 0.13 0.00 2.01 0.00 0.00 34.83 33.42 2kh2 s MET 148 CO 0.03 -0.21 0.30 -0.65 -0.01 0.00 0.00 175.02 174.48 2kh2 s GLN 149 N 1.66 2.17 0.25 2.03 1.11 -0.38 -4.97 119.66 121.54 2kh2 s GLN 149 Ca 0.06 -2.29 -0.31 0.00 0.01 0.00 0.00 55.36 52.83 2kh2 s GLN 149 Cb -0.16 -3.55 -0.12 0.00 -1.01 0.00 0.00 33.01 28.18 2kh2 s GLN 149 CO 0.06 -1.11 1.65 0.12 0.01 0.00 0.00 175.29 176.02 2kh2 s PHE 150 N 0.31 2.84 0.42 0.91 2.19 -1.26 -0.75 117.98 122.63 2kh2 s PHE 150 Ca 0.14 0.57 0.07 0.00 0.33 0.00 0.00 56.93 58.04 2kh2 s PHE 150 Cb -0.22 -4.09 -0.06 0.00 -1.31 0.00 0.00 43.02 37.34 2kh2 s PHE 150 CO -0.03 -3.91 0.10 0.14 1.83 0.00 0.00 175.22 173.35 2kh2 s VAL 151 N 0.60 2.13 -0.75 3.12 -7.23 -1.16 -4.92 120.40 112.20 2kh2 s VAL 151 Ca 0.69 -1.83 -0.05 0.00 -1.81 0.00 0.00 61.98 58.97 2kh2 s VAL 151 Cb -0.48 -2.97 -0.01 0.00 0.56 0.00 0.00 36.38 33.48 2kh2 s VAL 151 CO 0.40 0.00 2.86 -1.20 -0.31 0.00 0.00 175.10 176.85 2kh2 n SER 152 N -1.13 6.94 0.00 4.85 7.64 -1.26 -4.80 113.62 125.86 2kh2 n SER 152 Ca -0.03 -2.97 0.00 0.00 1.01 0.00 0.00 58.87 56.88 2kh2 n SER 152 Cb 0.66 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83